HEADER CYTOKINE (CHEMOTACTIC) 03-AUG-95 1IKL 1IKL 2 TITLE NMR STUDY OF MONOMERIC HUMAN INTERLEUKIN-8 1IKL 3 TITLE 2 (MINIMIZED AVERAGE STRUCTURE) 1IKL 4 COMPND MOL_ID: 1; 1IKL 5 COMPND 2 MOLECULE: HUMAN INTERLEUKIN-8 (MONOMERIC); 1IKL 6 COMPND 3 CHAIN: NULL; 1IKL 7 COMPND 4 SYNONYM: NAP-1; 1IKL 8 COMPND 5 ENGINEERED: YES; 1IKL 9 COMPND 6 MUTATION: DEL(1-3), H LEU 25 MODIFIED TO N-METHYL 1IKL 10 SOURCE MOL_ID: 1; 1IKL 11 SOURCE 2 SYNTHETIC: YES; 1IKL 12 SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; 1IKL 13 SOURCE 4 ORGANISM_COMMON: HUMAN 1IKL 14 EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE 1IKL 15 AUTHOR K.RAJARATHNAM,I.CLARK-LEWIS,B.D.SYKES 1IKL 16 REVDAT 1 15-OCT-95 1IKL 0 1IKL 17 JRNL AUTH K.RAJARATHNAM,I.CLARK-LEWIS,B.D.SYKES 1IKL 18 JRNL TITL ==1==H NMR SOLUTION STRUCTURE OF AN ACTIVE 1IKL 19 JRNL TITL 2 MONOMERIC INTERLEUKIN-8 1IKL 20 JRNL REF TO BE PUBLISHED 1IKL 21 JRNL REFN 0353 1IKL 22 REMARK 1 1IKL 23 REMARK 1 REFERENCE 1 1IKL 24 REMARK 1 AUTH K.RAJARATHNAM,B.D.SYKES,C.M.KAY,B.DEWALD,T.GEISER, 1IKL 25 REMARK 1 AUTH 2 M.BAGGIOLINI,I.CLARK-LEWIS 1IKL 26 REMARK 1 TITL NEUTROPHIL ACTIVATION BY MONOMERIC INTERLEUKIN-8 1IKL 27 REMARK 1 REF SCIENCE V. 264 90 1994 1IKL 28 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 0038 1IKL 29 REMARK 2 1IKL 30 REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 1IKL 31 REMARK 3 1IKL 32 REMARK 3 REFINEMENT. 1IKL 33 REMARK 3 PROGRAM X-PLOR 1IKL 34 REMARK 3 AUTHORS BRUNGER 1IKL 35 REMARK 4 1IKL 36 REMARK 4 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION 1IKL 37 REMARK 4 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT 1IKL 38 REMARK 4 *CRYST1* AND *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON 1IKL 39 REMARK 4 THESE RECORDS ARE MEANINGLESS. 1IKL 40 REMARK 5 1IKL 41 REMARK 5 SOURCE 1IKL 42 REMARK 5 MOLECULE_NAME: HUMAN INTERLEUKIN-8 (MONOMERIC). THE 1IKL 43 REMARK 5 FIRST THREE RESIDUES WERE TRUNCATED AS THEY WERE NOT 1IKL 44 REMARK 5 ESSENTIAL FOR ACTIVITY. THE LEU 25 WAS MODIFIED TO 1IKL 45 REMARK 5 GENERATE THE MONOMER. 1IKL 46 REMARK 6 1IKL 47 REMARK 6 COMPND 1IKL 48 REMARK 6 PH 5.2; TEMPERATURE 313 K; 20 MM SODIUM ACETATE BUFFER 1IKL 49 REMARK 6 CONCENTRATION 2MM. 1IKL 50 REMARK 7 1IKL 51 REMARK 7 THE TERTIARY STRUCTURE OF THE MONOMERIC INTERLEUKIN-8 IN 1IKL 52 REMARK 7 SOLUTION DERIVED FROM NMR EXPERIMENTS IS BASED ON 903 1IKL 53 REMARK 7 EXPERIMENTAL DISTANCE RESTRAINTS AND 61 DIHEDRAL 1IKL 54 REMARK 7 RESTRAINTS. A COMPLETE LIST OF EXPERIMENTAL RESTRAINTS HAS 1IKL 55 REMARK 7 BEEN DEPOSITED WITH THE PROTEIN DATA BANK. 1IKL 56 REMARK 8 1IKL 57 REMARK 8 RESIDUES 4 - 6 ARE LESS WELL DEFINED AND RESIDUES 67 - 72 1IKL 58 REMARK 8 ARE COMPLETELY UNDEFINED. THE COORDINATES OF RESIDUES 67 - 1IKL 59 REMARK 8 72 ARE PROVIDED FOR COMPLETION SAKE. 1IKL 60 REMARK 9 1IKL 61 REMARK 9 THE PROTEIN WAS CHEMICALLY SYNTHESIZED. 1IKL 62 REMARK 10 1IKL 63 REMARK 10 THE PROTEIN WAS SYNTHESIZED IN THE 4-72 FORM AS THIS FORM 1IKL 64 REMARK 10 HAD SLIGHTLY HIGHER ACTIVITY THAN THE 1-72 FORM. ALSO 1IKL 65 REMARK 10 THESE RESIDUES WERE FOUND TO BE UNSTRUCTURED IN THE DIMERIC 1IKL 66 REMARK 10 NMR STRUCTURE. 1IKL 67 REMARK 11 1IKL 68 REMARK 11 RESIDUE LEU 25 AMIDE PROTON WAS MODIFIED INTO N-METHYL TO 1IKL 69 REMARK 11 PRODUCE A MONOMERIC PROTEIN. 1IKL 70 REMARK 18 1IKL 71 REMARK 18 EXPERIMENTAL DETAILS. 1IKL 72 REMARK 18 TEMPERATURE : 313 K 1IKL 73 REMARK 18 PH : 5.2 1IKL 74 REMARK 999 1IKL 75 REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE 1IKL 76 REMARK 999 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1IKL 77 REMARK 999 IL8_HUMAN 1IKL 78 REMARK 999 1IKL 79 REMARK 999 SEQUENCE 1IKL 80 REMARK 999 REFERENCE 1IKL 81 REMARK 999 REFERENCE: THE PROSEQUENCE NOT INCLUDED; FIRST THREE 1IKL 82 REMARK 999 RESIDUES ARE DELETED; LEU-25 AMIDE MODIFIED TO N-METHYL. 1IKL 83 REMARK 999 MODRES: 1IKL LEU() 25() THE BACKBONE AMIDE PROTON 1IKL 84 REMARK 999 IS MODIFIED TO N-METHYL 1IKL 85 SEQRES 1 72 SER ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR 1IKL 86 SEQRES 2 72 SER LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG 1IKL 87 SEQRES 3 72 VAL ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE 1IKL 88 SEQRES 4 72 ILE VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP 1IKL 89 SEQRES 5 72 PRO LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE 1IKL 90 SEQRES 6 72 LEU LYS ARG ALA GLU ASN SER 1IKL 91 HET CH3 25 4 METHYL GROUP 1IKL 92 FORMUL 2 CH3 C1 H3 1IKL 93 HELIX 1 1 ASN 56 LEU 66 1 1IKL 94 SHEET 1 A 3 ARG 47 LEU 49 0 1IKL 95 SHEET 2 A 3 VAL 41 LEU 43 -1 N LEU 43 O ARG 47 1IKL 96 SHEET 3 A 3 ILE 22 LEU 25 -1 N GLU 24 O LYS 42 1IKL 97 SSBOND 1 CYS 7 CYS 34 1IKL 98 SSBOND 2 CYS 9 CYS 50 1IKL 99 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 1IKL 100 ORIGX1 1.000000 0.000000 0.000000 0.00000 1IKL 101 ORIGX2 0.000000 1.000000 0.000000 0.00000 1IKL 102 ORIGX3 0.000000 0.000000 1.000000 0.00000 1IKL 103 SCALE1 1.000000 0.000000 0.000000 0.00000 1IKL 104 SCALE2 0.000000 1.000000 0.000000 0.00000 1IKL 105 SCALE3 0.000000 0.000000 1.000000 0.00000 1IKL 106 ATOM 1 N GLU 4 -11.487 17.125 -5.187 1.00 5.27 1IKL 107 ATOM 2 CA GLU 4 -10.410 16.723 -4.235 1.00 4.51 1IKL 108 ATOM 3 C GLU 4 -10.750 15.355 -3.622 1.00 3.50 1IKL 109 ATOM 4 O GLU 4 -11.811 15.174 -3.053 1.00 3.52 1IKL 110 ATOM 5 CB GLU 4 -10.297 17.771 -3.123 1.00 4.96 1IKL 111 ATOM 6 CG GLU 4 -9.268 18.834 -3.520 1.00 5.53 1IKL 112 ATOM 7 CD GLU 4 -7.997 18.653 -2.687 1.00 6.19 1IKL 113 ATOM 8 OE1 GLU 4 -7.987 19.098 -1.550 1.00 6.59 1IKL 114 ATOM 9 OE2 GLU 4 -7.057 18.069 -3.200 1.00 6.60 1IKL 115 ATOM 10 1H GLU 4 -12.407 17.103 -4.702 1.00 5.45 1IKL 116 ATOM 11 2H GLU 4 -11.304 18.088 -5.533 1.00 5.60 1IKL 117 ATOM 12 3H GLU 4 -11.503 16.464 -5.991 1.00 5.67 1IKL 118 ATOM 13 HA GLU 4 -9.471 16.661 -4.766 1.00 4.80 1IKL 119 ATOM 14 1HB GLU 4 -11.259 18.241 -2.972 1.00 5.42 1IKL 120 ATOM 15 2HB GLU 4 -9.983 17.293 -2.207 1.00 4.90 1IKL 121 ATOM 16 1HG GLU 4 -9.031 18.731 -4.569 1.00 5.54 1IKL 122 ATOM 17 2HG GLU 4 -9.678 19.816 -3.339 1.00 5.88 1IKL 123 ATOM 18 N LEU 5 -9.861 14.392 -3.734 1.00 3.09 1IKL 124 ATOM 19 CA LEU 5 -10.135 13.039 -3.160 1.00 2.41 1IKL 125 ATOM 20 C LEU 5 -9.312 12.849 -1.880 1.00 1.80 1IKL 126 ATOM 21 O LEU 5 -8.103 12.708 -1.926 1.00 2.45 1IKL 127 ATOM 22 CB LEU 5 -9.755 11.964 -4.185 1.00 3.34 1IKL 128 ATOM 23 CG LEU 5 -10.249 10.595 -3.707 1.00 4.06 1IKL 129 ATOM 24 CD1 LEU 5 -11.622 10.301 -4.319 1.00 4.81 1IKL 130 ATOM 25 CD2 LEU 5 -9.255 9.515 -4.143 1.00 4.70 1IKL 131 ATOM 26 H LEU 5 -9.013 14.559 -4.196 1.00 3.58 1IKL 132 ATOM 27 HA LEU 5 -11.187 12.954 -2.925 1.00 2.37 1IKL 133 ATOM 28 1HB LEU 5 -10.210 12.200 -5.136 1.00 3.77 1IKL 134 ATOM 29 2HB LEU 5 -8.681 11.939 -4.297 1.00 3.60 1IKL 135 ATOM 30 HG LEU 5 -10.330 10.597 -2.629 1.00 4.13 1IKL 136 ATOM 31 1HD1 LEU 5 -11.570 10.414 -5.392 1.00 4.98 1IKL 137 ATOM 32 2HD1 LEU 5 -11.915 9.290 -4.077 1.00 5.16 1IKL 138 ATOM 33 3HD1 LEU 5 -12.349 10.992 -3.919 1.00 5.24 1IKL 139 ATOM 34 1HD2 LEU 5 -8.276 9.747 -3.749 1.00 4.97 1IKL 140 ATOM 35 2HD2 LEU 5 -9.576 8.556 -3.765 1.00 4.98 1IKL 141 ATOM 36 3HD2 LEU 5 -9.210 9.481 -5.221 1.00 5.06 1IKL 142 ATOM 37 N ARG 6 -9.964 12.842 -0.740 1.00 1.20 1IKL 143 ATOM 38 CA ARG 6 -9.240 12.663 0.557 1.00 1.33 1IKL 144 ATOM 39 C ARG 6 -8.659 11.243 0.648 1.00 1.06 1IKL 145 ATOM 40 O ARG 6 -8.790 10.448 -0.266 1.00 1.06 1IKL 146 ATOM 41 CB ARG 6 -10.220 12.891 1.712 1.00 2.13 1IKL 147 ATOM 42 CG ARG 6 -10.390 14.394 1.954 1.00 2.86 1IKL 148 ATOM 43 CD ARG 6 -11.612 14.636 2.844 1.00 3.47 1IKL 149 ATOM 44 NE ARG 6 -12.531 15.601 2.175 1.00 4.25 1IKL 150 ATOM 45 CZ ARG 6 -13.818 15.377 2.164 1.00 4.90 1IKL 151 ATOM 46 NH1 ARG 6 -14.349 14.670 1.200 1.00 5.40 1IKL 152 ATOM 47 NH2 ARG 6 -14.574 15.862 3.115 1.00 5.44 1IKL 153 ATOM 48 H ARG 6 -10.937 12.955 -0.737 1.00 1.49 1IKL 154 ATOM 49 HA ARG 6 -8.438 13.381 0.623 1.00 1.72 1IKL 155 ATOM 50 1HB ARG 6 -11.176 12.455 1.462 1.00 2.43 1IKL 156 ATOM 51 2HB ARG 6 -9.838 12.427 2.605 1.00 2.57 1IKL 157 ATOM 52 1HG ARG 6 -9.508 14.781 2.441 1.00 3.23 1IKL 158 ATOM 53 2HG ARG 6 -10.530 14.897 1.009 1.00 3.22 1IKL 159 ATOM 54 1HD ARG 6 -12.129 13.703 3.010 1.00 3.76 1IKL 160 ATOM 55 2HD ARG 6 -11.291 15.043 3.792 1.00 3.63 1IKL 161 ATOM 56 HE ARG 6 -12.170 16.404 1.744 1.00 4.56 1IKL 162 ATOM 57 1HH1 ARG 6 -13.770 14.300 0.473 1.00 5.32 1IKL 163 ATOM 58 2HH1 ARG 6 -15.334 14.497 1.190 1.00 6.07 1IKL 164 ATOM 59 1HH2 ARG 6 -14.168 16.405 3.850 1.00 5.42 1IKL 165 ATOM 60 2HH2 ARG 6 -15.560 15.691 3.108 1.00 6.09 1IKL 166 ATOM 61 N CYS 7 -8.015 10.925 1.749 1.00 0.97 1IKL 167 ATOM 62 CA CYS 7 -7.419 9.565 1.920 1.00 0.76 1IKL 168 ATOM 63 C CYS 7 -8.505 8.500 1.754 1.00 0.73 1IKL 169 ATOM 64 O CYS 7 -9.509 8.509 2.444 1.00 1.24 1IKL 170 ATOM 65 CB CYS 7 -6.800 9.451 3.314 1.00 0.80 1IKL 171 ATOM 66 SG CYS 7 -5.098 10.068 3.273 1.00 1.40 1IKL 172 ATOM 67 H CYS 7 -7.925 11.584 2.467 1.00 1.13 1IKL 173 ATOM 68 HA CYS 7 -6.653 9.410 1.175 1.00 0.80 1IKL 174 ATOM 69 1HB CYS 7 -7.379 10.034 4.014 1.00 0.95 1IKL 175 ATOM 70 2HB CYS 7 -6.800 8.418 3.623 1.00 0.63 1IKL 176 ATOM 71 N GLN 8 -8.305 7.584 0.840 1.00 0.62 1IKL 177 ATOM 72 CA GLN 8 -9.309 6.506 0.608 1.00 0.65 1IKL 178 ATOM 73 C GLN 8 -9.333 5.530 1.798 1.00 0.58 1IKL 179 ATOM 74 O GLN 8 -10.227 4.711 1.907 1.00 0.67 1IKL 180 ATOM 75 CB GLN 8 -8.936 5.745 -0.668 1.00 0.83 1IKL 181 ATOM 76 CG GLN 8 -9.081 6.669 -1.882 1.00 1.40 1IKL 182 ATOM 77 CD GLN 8 -9.427 5.839 -3.121 1.00 1.92 1IKL 183 ATOM 78 OE1 GLN 8 -8.556 5.485 -3.891 1.00 2.48 1IKL 184 ATOM 79 NE2 GLN 8 -10.670 5.509 -3.349 1.00 2.57 1IKL 185 ATOM 80 H GLN 8 -7.487 7.603 0.301 1.00 0.95 1IKL 186 ATOM 81 HA GLN 8 -10.287 6.947 0.487 1.00 0.71 1IKL 187 ATOM 82 1HB GLN 8 -7.913 5.403 -0.597 1.00 1.44 1IKL 188 ATOM 83 2HB GLN 8 -9.589 4.899 -0.783 1.00 1.27 1IKL 189 ATOM 84 1HG GLN 8 -9.868 7.386 -1.697 1.00 1.95 1IKL 190 ATOM 85 2HG GLN 8 -8.151 7.191 -2.050 1.00 2.03 1IKL 191 ATOM 86 1HE2 GLN 8 -10.899 4.979 -4.140 1.00 3.12 1IKL 192 ATOM 87 2HE2 GLN 8 -11.375 5.792 -2.729 1.00 2.86 1IKL 193 ATOM 88 N CYS 9 -8.365 5.606 2.687 1.00 0.49 1IKL 194 ATOM 89 CA CYS 9 -8.345 4.679 3.856 1.00 0.49 1IKL 195 ATOM 90 C CYS 9 -8.125 5.459 5.154 1.00 0.47 1IKL 196 ATOM 91 O CYS 9 -7.033 5.919 5.433 1.00 0.49 1IKL 197 ATOM 92 CB CYS 9 -7.212 3.664 3.685 1.00 0.54 1IKL 198 ATOM 93 SG CYS 9 -7.889 2.085 3.114 1.00 0.85 1IKL 199 ATOM 94 H CYS 9 -7.649 6.271 2.584 1.00 0.49 1IKL 200 ATOM 95 HA CYS 9 -9.287 4.153 3.914 1.00 0.56 1IKL 201 ATOM 96 1HB CYS 9 -6.505 4.035 2.960 1.00 0.54 1IKL 202 ATOM 97 2HB CYS 9 -6.713 3.522 4.630 1.00 0.51 1IKL 203 ATOM 98 N ILE 10 -9.149 5.578 5.966 1.00 0.54 1IKL 204 ATOM 99 CA ILE 10 -8.993 6.288 7.273 1.00 0.60 1IKL 205 ATOM 100 C ILE 10 -8.110 5.417 8.178 1.00 0.59 1IKL 206 ATOM 101 O ILE 10 -7.317 5.912 8.957 1.00 0.64 1IKL 207 ATOM 102 CB ILE 10 -10.369 6.494 7.926 1.00 0.74 1IKL 208 ATOM 103 CG1 ILE 10 -11.245 7.367 7.017 1.00 0.82 1IKL 209 ATOM 104 CG2 ILE 10 -10.200 7.188 9.281 1.00 0.83 1IKL 210 ATOM 105 CD1 ILE 10 -12.542 6.625 6.688 1.00 1.62 1IKL 211 ATOM 106 H ILE 10 -10.011 5.174 5.729 1.00 0.62 1IKL 212 ATOM 107 HA ILE 10 -8.516 7.244 7.112 1.00 0.61 1IKL 213 ATOM 108 HB ILE 10 -10.842 5.533 8.072 1.00 0.77 1IKL 214 ATOM 109 1HG1 ILE 10 -11.478 8.292 7.524 1.00 1.13 1IKL 215 ATOM 110 2HG1 ILE 10 -10.714 7.583 6.102 1.00 1.11 1IKL 216 ATOM 111 1HG2 ILE 10 -9.638 8.101 9.151 1.00 1.22 1IKL 217 ATOM 112 2HG2 ILE 10 -11.173 7.419 9.690 1.00 1.40 1IKL 218 ATOM 113 3HG2 ILE 10 -9.672 6.533 9.959 1.00 1.29 1IKL 219 ATOM 114 1HD1 ILE 10 -12.309 5.682 6.217 1.00 2.13 1IKL 220 ATOM 115 2HD1 ILE 10 -13.096 6.447 7.598 1.00 2.16 1IKL 221 ATOM 116 3HD1 ILE 10 -13.138 7.225 6.016 1.00 2.04 1IKL 222 ATOM 117 N LYS 11 -8.235 4.115 8.049 1.00 0.58 1IKL 223 ATOM 118 CA LYS 11 -7.405 3.176 8.856 1.00 0.61 1IKL 224 ATOM 119 C LYS 11 -6.561 2.345 7.885 1.00 0.52 1IKL 225 ATOM 120 O LYS 11 -7.088 1.606 7.073 1.00 0.78 1IKL 226 ATOM 121 CB LYS 11 -8.314 2.251 9.674 1.00 0.75 1IKL 227 ATOM 122 CG LYS 11 -8.973 3.047 10.805 1.00 1.54 1IKL 228 ATOM 123 CD LYS 11 -10.323 2.415 11.162 1.00 1.88 1IKL 229 ATOM 124 CE LYS 11 -10.164 1.520 12.394 1.00 2.70 1IKL 230 ATOM 125 NZ LYS 11 -11.161 0.412 12.340 1.00 3.38 1IKL 231 ATOM 126 H LYS 11 -8.870 3.753 7.394 1.00 0.61 1IKL 232 ATOM 127 HA LYS 11 -6.758 3.734 9.517 1.00 0.63 1IKL 233 ATOM 128 1HB LYS 11 -9.078 1.837 9.031 1.00 1.22 1IKL 234 ATOM 129 2HB LYS 11 -7.726 1.450 10.096 1.00 1.19 1IKL 235 ATOM 130 1HG LYS 11 -8.329 3.037 11.673 1.00 2.12 1IKL 236 ATOM 131 2HG LYS 11 -9.129 4.066 10.485 1.00 2.14 1IKL 237 ATOM 132 1HD LYS 11 -11.039 3.196 11.375 1.00 2.26 1IKL 238 ATOM 133 2HD LYS 11 -10.675 1.822 10.331 1.00 2.08 1IKL 239 ATOM 134 1HE LYS 11 -9.167 1.105 12.411 1.00 3.14 1IKL 240 ATOM 135 2HE LYS 11 -10.324 2.106 13.287 1.00 3.04 1IKL 241 ATOM 136 1HZ LYS 11 -12.120 0.809 12.267 1.00 3.75 1IKL 242 ATOM 137 2HZ LYS 11 -10.969 -0.188 11.512 1.00 3.66 1IKL 243 ATOM 138 3HZ LYS 11 -11.092 -0.159 13.206 1.00 3.76 1IKL 244 ATOM 139 N THR 12 -5.260 2.478 7.940 1.00 0.42 1IKL 245 ATOM 140 CA THR 12 -4.388 1.713 6.995 1.00 0.31 1IKL 246 ATOM 141 C THR 12 -4.002 0.351 7.573 1.00 0.30 1IKL 247 ATOM 142 O THR 12 -4.440 -0.041 8.640 1.00 0.43 1IKL 248 ATOM 143 CB THR 12 -3.117 2.507 6.675 1.00 0.30 1IKL 249 ATOM 144 OG1 THR 12 -2.908 3.521 7.649 1.00 0.40 1IKL 250 ATOM 145 CG2 THR 12 -3.251 3.131 5.290 1.00 0.30 1IKL 251 ATOM 146 H THR 12 -4.857 3.094 8.588 1.00 0.62 1IKL 252 ATOM 147 HA THR 12 -4.933 1.553 6.077 1.00 0.32 1IKL 253 ATOM 148 HB THR 12 -2.273 1.837 6.674 1.00 0.29 1IKL 254 ATOM 149 HG1 THR 12 -2.625 3.098 8.463 1.00 0.93 1IKL 255 ATOM 150 1HG2 THR 12 -4.151 3.725 5.248 1.00 1.02 1IKL 256 ATOM 151 2HG2 THR 12 -2.394 3.755 5.092 1.00 1.05 1IKL 257 ATOM 152 3HG2 THR 12 -3.304 2.346 4.548 1.00 1.03 1IKL 258 ATOM 153 N TYR 13 -3.193 -0.376 6.845 1.00 0.24 1IKL 259 ATOM 154 CA TYR 13 -2.764 -1.728 7.286 1.00 0.23 1IKL 260 ATOM 155 C TYR 13 -1.571 -1.619 8.237 1.00 0.24 1IKL 261 ATOM 156 O TYR 13 -0.484 -1.232 7.846 1.00 0.31 1IKL 262 ATOM 157 CB TYR 13 -2.357 -2.543 6.052 1.00 0.22 1IKL 263 ATOM 158 CG TYR 13 -2.397 -4.024 6.337 1.00 0.21 1IKL 264 ATOM 159 CD1 TYR 13 -3.084 -4.520 7.451 1.00 1.14 1IKL 265 ATOM 160 CD2 TYR 13 -1.731 -4.899 5.475 1.00 1.23 1IKL 266 ATOM 161 CE1 TYR 13 -3.103 -5.896 7.705 1.00 1.14 1IKL 267 ATOM 162 CE2 TYR 13 -1.750 -6.277 5.726 1.00 1.24 1IKL 268 ATOM 163 CZ TYR 13 -2.435 -6.776 6.842 1.00 0.23 1IKL 269 ATOM 164 OH TYR 13 -2.451 -8.133 7.092 1.00 0.25 1IKL 270 ATOM 165 H TYR 13 -2.876 -0.029 5.984 1.00 0.29 1IKL 271 ATOM 166 HA TYR 13 -3.583 -2.217 7.787 1.00 0.24 1IKL 272 ATOM 167 1HB TYR 13 -3.029 -2.321 5.238 1.00 0.23 1IKL 273 ATOM 168 2HB TYR 13 -1.353 -2.273 5.768 1.00 0.23 1IKL 274 ATOM 169 HD1 TYR 13 -3.599 -3.838 8.111 1.00 2.04 1IKL 275 ATOM 170 HD2 TYR 13 -1.206 -4.506 4.611 1.00 2.12 1IKL 276 ATOM 171 HE1 TYR 13 -3.631 -6.280 8.566 1.00 2.03 1IKL 277 ATOM 172 HE2 TYR 13 -1.236 -6.955 5.063 1.00 2.14 1IKL 278 ATOM 173 HH TYR 13 -3.166 -8.522 6.581 1.00 0.89 1IKL 279 ATOM 174 N SER 14 -1.764 -1.983 9.478 1.00 0.27 1IKL 280 ATOM 175 CA SER 14 -0.645 -1.934 10.462 1.00 0.28 1IKL 281 ATOM 176 C SER 14 0.079 -3.281 10.446 1.00 0.26 1IKL 282 ATOM 177 O SER 14 1.286 -3.344 10.592 1.00 0.26 1IKL 283 ATOM 178 CB SER 14 -1.195 -1.656 11.862 1.00 0.32 1IKL 284 ATOM 179 OG SER 14 -1.473 -0.267 11.988 1.00 1.32 1IKL 285 ATOM 180 H SER 14 -2.646 -2.307 9.760 1.00 0.34 1IKL 286 ATOM 181 HA SER 14 0.049 -1.158 10.181 1.00 0.28 1IKL 287 ATOM 182 1HB SER 14 -2.105 -2.214 12.011 1.00 1.05 1IKL 288 ATOM 183 2HB SER 14 -0.465 -1.957 12.602 1.00 0.96 1IKL 289 ATOM 184 HG SER 14 -1.133 0.028 12.836 1.00 1.65 1IKL 290 ATOM 185 N LYS 15 -0.647 -4.358 10.245 1.00 0.25 1IKL 291 ATOM 186 CA LYS 15 0.000 -5.698 10.191 1.00 0.25 1IKL 292 ATOM 187 C LYS 15 0.698 -5.836 8.833 1.00 0.22 1IKL 293 ATOM 188 O LYS 15 0.173 -5.405 7.827 1.00 0.20 1IKL 294 ATOM 189 CB LYS 15 -1.032 -6.823 10.335 1.00 0.27 1IKL 295 ATOM 190 CG LYS 15 -2.269 -6.345 11.107 1.00 0.30 1IKL 296 ATOM 191 CD LYS 15 -3.078 -7.554 11.580 1.00 1.07 1IKL 297 ATOM 192 CE LYS 15 -4.277 -7.074 12.401 1.00 1.54 1IKL 298 ATOM 193 NZ LYS 15 -4.543 -8.035 13.510 1.00 2.03 1IKL 299 ATOM 194 H LYS 15 -1.612 -4.278 10.111 1.00 0.26 1IKL 300 ATOM 195 HA LYS 15 0.728 -5.772 10.984 1.00 0.26 1IKL 301 ATOM 196 1HB LYS 15 -1.320 -7.157 9.357 1.00 0.26 1IKL 302 ATOM 197 2HB LYS 15 -0.582 -7.642 10.864 1.00 0.28 1IKL 303 ATOM 198 1HG LYS 15 -1.958 -5.763 11.963 1.00 0.77 1IKL 304 ATOM 199 2HG LYS 15 -2.883 -5.735 10.461 1.00 0.74 1IKL 305 ATOM 200 1HD LYS 15 -3.427 -8.112 10.723 1.00 1.74 1IKL 306 ATOM 201 2HD LYS 15 -2.454 -8.187 12.193 1.00 1.67 1IKL 307 ATOM 202 1HE LYS 15 -4.064 -6.100 12.814 1.00 1.99 1IKL 308 ATOM 203 2HE LYS 15 -5.147 -7.012 11.764 1.00 2.12 1IKL 309 ATOM 204 1HZ LYS 15 -4.730 -8.979 13.117 1.00 2.44 1IKL 310 ATOM 205 2HZ LYS 15 -3.714 -8.077 14.139 1.00 2.34 1IKL 311 ATOM 206 3HZ LYS 15 -5.373 -7.718 14.051 1.00 2.45 1IKL 312 ATOM 207 N PRO 16 1.870 -6.412 8.851 1.00 0.22 1IKL 313 ATOM 208 CA PRO 16 2.690 -6.598 7.642 1.00 0.21 1IKL 314 ATOM 209 C PRO 16 2.271 -7.853 6.868 1.00 0.21 1IKL 315 ATOM 210 O PRO 16 1.639 -8.747 7.403 1.00 0.23 1IKL 316 ATOM 211 CB PRO 16 4.101 -6.750 8.206 1.00 0.23 1IKL 317 ATOM 212 CG PRO 16 3.945 -7.226 9.672 1.00 0.25 1IKL 318 ATOM 213 CD PRO 16 2.491 -6.930 10.082 1.00 0.25 1IKL 319 ATOM 214 HA PRO 16 2.640 -5.730 7.009 1.00 0.19 1IKL 320 ATOM 215 1HB PRO 16 4.652 -7.472 7.632 1.00 0.24 1IKL 321 ATOM 216 2HB PRO 16 4.607 -5.804 8.185 1.00 0.23 1IKL 322 ATOM 217 1HG PRO 16 4.142 -8.287 9.739 1.00 0.27 1IKL 323 ATOM 218 2HG PRO 16 4.622 -6.682 10.313 1.00 0.27 1IKL 324 ATOM 219 1HD PRO 16 1.995 -7.836 10.400 1.00 0.26 1IKL 325 ATOM 220 2HD PRO 16 2.450 -6.185 10.857 1.00 0.26 1IKL 326 ATOM 221 N PHE 17 2.634 -7.922 5.610 1.00 0.20 1IKL 327 ATOM 222 CA PHE 17 2.277 -9.115 4.780 1.00 0.21 1IKL 328 ATOM 223 C PHE 17 3.167 -9.166 3.526 1.00 0.21 1IKL 329 ATOM 224 O PHE 17 3.696 -8.161 3.084 1.00 0.20 1IKL 330 ATOM 225 CB PHE 17 0.783 -9.065 4.397 1.00 0.20 1IKL 331 ATOM 226 CG PHE 17 0.524 -8.053 3.299 1.00 0.16 1IKL 332 ATOM 227 CD1 PHE 17 0.742 -6.687 3.525 1.00 1.22 1IKL 333 ATOM 228 CD2 PHE 17 0.052 -8.487 2.053 1.00 1.22 1IKL 334 ATOM 229 CE1 PHE 17 0.490 -5.761 2.506 1.00 1.21 1IKL 335 ATOM 230 CE2 PHE 17 -0.200 -7.560 1.037 1.00 1.22 1IKL 336 ATOM 231 CZ PHE 17 0.019 -6.197 1.264 1.00 0.15 1IKL 337 ATOM 232 H PHE 17 3.151 -7.188 5.214 1.00 0.19 1IKL 338 ATOM 233 HA PHE 17 2.457 -10.006 5.364 1.00 0.24 1IKL 339 ATOM 234 1HB PHE 17 0.474 -10.041 4.056 1.00 0.23 1IKL 340 ATOM 235 2HB PHE 17 0.204 -8.797 5.269 1.00 0.22 1IKL 341 ATOM 236 HD1 PHE 17 1.102 -6.349 4.485 1.00 2.16 1IKL 342 ATOM 237 HD2 PHE 17 -0.119 -9.539 1.878 1.00 2.15 1IKL 343 ATOM 238 HE1 PHE 17 0.659 -4.709 2.678 1.00 2.14 1IKL 344 ATOM 239 HE2 PHE 17 -0.564 -7.896 0.076 1.00 2.15 1IKL 345 ATOM 240 HZ PHE 17 -0.176 -5.482 0.479 1.00 0.16 1IKL 346 ATOM 241 N HIS 18 3.342 -10.340 2.965 1.00 0.24 1IKL 347 ATOM 242 CA HIS 18 4.204 -10.499 1.752 1.00 0.25 1IKL 348 ATOM 243 C HIS 18 3.574 -9.742 0.550 1.00 0.22 1IKL 349 ATOM 244 O HIS 18 2.367 -9.707 0.407 1.00 0.21 1IKL 350 ATOM 245 CB HIS 18 4.373 -12.001 1.501 1.00 0.29 1IKL 351 ATOM 246 CG HIS 18 4.886 -12.241 0.129 1.00 0.29 1IKL 352 ATOM 247 ND1 HIS 18 6.232 -12.377 -0.168 1.00 0.31 1IKL 353 ATOM 248 CD2 HIS 18 4.226 -12.366 -1.041 1.00 0.27 1IKL 354 ATOM 249 CE1 HIS 18 6.323 -12.574 -1.494 1.00 0.31 1IKL 355 ATOM 250 NE2 HIS 18 5.126 -12.583 -2.065 1.00 0.28 1IKL 356 ATOM 251 H HIS 18 2.908 -11.132 3.352 1.00 0.27 1IKL 357 ATOM 252 HA HIS 18 5.168 -10.076 1.949 1.00 0.25 1IKL 358 ATOM 253 1HB HIS 18 5.072 -12.404 2.218 1.00 0.32 1IKL 359 ATOM 254 2HB HIS 18 3.421 -12.491 1.620 1.00 0.29 1IKL 360 ATOM 255 HD1 HIS 18 6.976 -12.338 0.469 1.00 0.33 1IKL 361 ATOM 256 HD2 HIS 18 3.168 -12.257 -1.150 1.00 0.25 1IKL 362 ATOM 257 HE1 HIS 18 7.247 -12.663 -2.038 1.00 0.33 1IKL 363 ATOM 258 N PRO 19 4.430 -9.094 -0.233 1.00 0.22 1IKL 364 ATOM 259 CA PRO 19 4.013 -8.243 -1.384 1.00 0.20 1IKL 365 ATOM 260 C PRO 19 3.586 -9.007 -2.648 1.00 0.20 1IKL 366 ATOM 261 O PRO 19 2.630 -8.620 -3.288 1.00 0.17 1IKL 367 ATOM 262 CB PRO 19 5.263 -7.418 -1.690 1.00 0.21 1IKL 368 ATOM 263 CG PRO 19 6.461 -8.214 -1.126 1.00 0.24 1IKL 369 ATOM 264 CD PRO 19 5.897 -9.149 -0.042 1.00 0.24 1IKL 370 ATOM 265 HA PRO 19 3.228 -7.581 -1.081 1.00 0.19 1IKL 371 ATOM 266 1HB PRO 19 5.366 -7.288 -2.762 1.00 0.22 1IKL 372 ATOM 267 2HB PRO 19 5.202 -6.458 -1.205 1.00 0.22 1IKL 373 ATOM 268 1HG PRO 19 6.920 -8.795 -1.916 1.00 0.25 1IKL 374 ATOM 269 2HG PRO 19 7.183 -7.543 -0.691 1.00 0.25 1IKL 375 ATOM 270 1HD PRO 19 6.263 -10.154 -0.188 1.00 0.26 1IKL 376 ATOM 271 2HD PRO 19 6.157 -8.791 0.940 1.00 0.25 1IKL 377 ATOM 272 N LYS 20 4.296 -10.036 -3.054 1.00 0.23 1IKL 378 ATOM 273 CA LYS 20 3.915 -10.753 -4.326 1.00 0.24 1IKL 379 ATOM 274 C LYS 20 2.421 -11.130 -4.335 1.00 0.22 1IKL 380 ATOM 275 O LYS 20 1.825 -11.239 -5.390 1.00 0.21 1IKL 381 ATOM 276 CB LYS 20 4.769 -11.995 -4.542 1.00 0.31 1IKL 382 ATOM 277 CG LYS 20 4.884 -12.281 -6.041 1.00 0.39 1IKL 383 ATOM 278 CD LYS 20 5.935 -13.368 -6.277 1.00 1.03 1IKL 384 ATOM 279 CE LYS 20 5.997 -13.700 -7.770 1.00 1.46 1IKL 385 ATOM 280 NZ LYS 20 7.101 -14.669 -8.024 1.00 2.19 1IKL 386 ATOM 281 H LYS 20 5.090 -10.308 -2.552 1.00 0.26 1IKL 387 ATOM 282 HA LYS 20 4.095 -10.090 -5.143 1.00 0.23 1IKL 388 ATOM 283 1HB LYS 20 5.754 -11.833 -4.127 1.00 0.31 1IKL 389 ATOM 284 2HB LYS 20 4.306 -12.826 -4.056 1.00 0.32 1IKL 390 ATOM 285 1HG LYS 20 3.928 -12.616 -6.417 1.00 0.71 1IKL 391 ATOM 286 2HG LYS 20 5.179 -11.380 -6.558 1.00 0.73 1IKL 392 ATOM 287 1HD LYS 20 6.900 -13.014 -5.946 1.00 1.58 1IKL 393 ATOM 288 2HD LYS 20 5.666 -14.255 -5.724 1.00 1.54 1IKL 394 ATOM 289 1HE LYS 20 5.059 -14.135 -8.081 1.00 1.91 1IKL 395 ATOM 290 2HE LYS 20 6.176 -12.795 -8.332 1.00 1.85 1IKL 396 ATOM 291 1HZ LYS 20 8.005 -14.256 -7.717 1.00 2.69 1IKL 397 ATOM 292 2HZ LYS 20 6.925 -15.545 -7.492 1.00 2.62 1IKL 398 ATOM 293 3HZ LYS 20 7.146 -14.883 -9.041 1.00 2.49 1IKL 399 ATOM 294 N PHE 21 1.798 -11.292 -3.183 1.00 0.22 1IKL 400 ATOM 295 CA PHE 21 0.338 -11.612 -3.160 1.00 0.23 1IKL 401 ATOM 296 C PHE 21 -0.415 -10.461 -3.836 1.00 0.19 1IKL 402 ATOM 297 O PHE 21 -1.360 -10.665 -4.573 1.00 0.21 1IKL 403 ATOM 298 CB PHE 21 -0.159 -11.733 -1.723 1.00 0.26 1IKL 404 ATOM 299 CG PHE 21 0.624 -12.765 -0.936 1.00 0.27 1IKL 405 ATOM 300 CD1 PHE 21 1.209 -13.868 -1.575 1.00 1.25 1IKL 406 ATOM 301 CD2 PHE 21 0.754 -12.613 0.451 1.00 1.22 1IKL 407 ATOM 302 CE1 PHE 21 1.921 -14.813 -0.824 1.00 1.25 1IKL 408 ATOM 303 CE2 PHE 21 1.465 -13.557 1.198 1.00 1.23 1IKL 409 ATOM 304 CZ PHE 21 2.049 -14.657 0.561 1.00 0.33 1IKL 410 ATOM 305 H PHE 21 2.277 -11.172 -2.341 1.00 0.24 1IKL 411 ATOM 306 HA PHE 21 0.153 -12.525 -3.681 1.00 0.26 1IKL 412 ATOM 307 1HB PHE 21 -0.058 -10.781 -1.252 1.00 0.27 1IKL 413 ATOM 308 2HB PHE 21 -1.197 -12.011 -1.735 1.00 0.27 1IKL 414 ATOM 309 HD1 PHE 21 1.112 -13.990 -2.643 1.00 2.16 1IKL 415 ATOM 310 HD2 PHE 21 0.304 -11.764 0.944 1.00 2.13 1IKL 416 ATOM 311 HE1 PHE 21 2.372 -15.662 -1.314 1.00 2.17 1IKL 417 ATOM 312 HE2 PHE 21 1.565 -13.435 2.267 1.00 2.14 1IKL 418 ATOM 313 HZ PHE 21 2.599 -15.386 1.138 1.00 0.36 1IKL 419 ATOM 314 N ILE 22 0.023 -9.250 -3.579 1.00 0.14 1IKL 420 ATOM 315 CA ILE 22 -0.612 -8.039 -4.177 1.00 0.13 1IKL 421 ATOM 316 C ILE 22 -0.569 -8.125 -5.706 1.00 0.14 1IKL 422 ATOM 317 O ILE 22 0.486 -8.234 -6.302 1.00 0.15 1IKL 423 ATOM 318 CB ILE 22 0.166 -6.795 -3.721 1.00 0.13 1IKL 424 ATOM 319 CG1 ILE 22 0.057 -6.646 -2.199 1.00 0.17 1IKL 425 ATOM 320 CG2 ILE 22 -0.401 -5.545 -4.396 1.00 0.17 1IKL 426 ATOM 321 CD1 ILE 22 1.312 -5.953 -1.662 1.00 1.39 1IKL 427 ATOM 322 H ILE 22 0.792 -9.138 -2.981 1.00 0.15 1IKL 428 ATOM 323 HA ILE 22 -1.638 -7.961 -3.850 1.00 0.15 1IKL 429 ATOM 324 HB ILE 22 1.205 -6.906 -3.997 1.00 0.15 1IKL 430 ATOM 325 1HG1 ILE 22 -0.814 -6.056 -1.955 1.00 0.78 1IKL 431 ATOM 326 2HG1 ILE 22 -0.032 -7.622 -1.746 1.00 0.89 1IKL 432 ATOM 327 1HG2 ILE 22 -1.435 -5.713 -4.649 1.00 1.03 1IKL 433 ATOM 328 2HG2 ILE 22 -0.325 -4.706 -3.722 1.00 1.01 1IKL 434 ATOM 329 3HG2 ILE 22 0.161 -5.336 -5.294 1.00 1.02 1IKL 435 ATOM 330 1HD1 ILE 22 2.096 -5.999 -2.403 1.00 1.96 1IKL 436 ATOM 331 2HD1 ILE 22 1.086 -4.921 -1.441 1.00 1.95 1IKL 437 ATOM 332 3HD1 ILE 22 1.640 -6.449 -0.761 1.00 2.00 1IKL 438 ATOM 333 N LYS 23 -1.710 -8.055 -6.336 1.00 0.17 1IKL 439 ATOM 334 CA LYS 23 -1.759 -8.103 -7.825 1.00 0.20 1IKL 440 ATOM 335 C LYS 23 -1.640 -6.674 -8.380 1.00 0.21 1IKL 441 ATOM 336 O LYS 23 -1.241 -6.475 -9.512 1.00 0.25 1IKL 442 ATOM 337 CB LYS 23 -3.087 -8.721 -8.275 1.00 0.23 1IKL 443 ATOM 338 CG LYS 23 -2.840 -9.654 -9.462 1.00 0.73 1IKL 444 ATOM 339 CD LYS 23 -4.142 -10.370 -9.829 1.00 1.10 1IKL 445 ATOM 340 CE LYS 23 -3.870 -11.390 -10.938 1.00 1.53 1IKL 446 ATOM 341 NZ LYS 23 -5.030 -11.434 -11.874 1.00 2.24 1IKL 447 ATOM 342 H LYS 23 -2.542 -7.951 -5.826 1.00 0.20 1IKL 448 ATOM 343 HA LYS 23 -0.938 -8.701 -8.193 1.00 0.23 1IKL 449 ATOM 344 1HB LYS 23 -3.516 -9.283 -7.458 1.00 0.46 1IKL 450 ATOM 345 2HB LYS 23 -3.769 -7.938 -8.570 1.00 0.50 1IKL 451 ATOM 346 1HG LYS 23 -2.494 -9.076 -10.308 1.00 1.39 1IKL 452 ATOM 347 2HG LYS 23 -2.092 -10.385 -9.196 1.00 1.22 1IKL 453 ATOM 348 1HD LYS 23 -4.530 -10.878 -8.958 1.00 1.67 1IKL 454 ATOM 349 2HD LYS 23 -4.865 -9.647 -10.176 1.00 1.73 1IKL 455 ATOM 350 1HE LYS 23 -2.981 -11.103 -11.481 1.00 1.96 1IKL 456 ATOM 351 2HE LYS 23 -3.724 -12.366 -10.500 1.00 1.98 1IKL 457 ATOM 352 1HZ LYS 23 -5.175 -10.494 -12.294 1.00 2.54 1IKL 458 ATOM 353 2HZ LYS 23 -4.839 -12.122 -12.629 1.00 2.79 1IKL 459 ATOM 354 3HZ LYS 23 -5.885 -11.718 -11.353 1.00 2.61 1IKL 460 ATOM 355 N GLU 24 -1.980 -5.679 -7.586 1.00 0.21 1IKL 461 ATOM 356 CA GLU 24 -1.886 -4.265 -8.060 1.00 0.25 1IKL 462 ATOM 357 C GLU 24 -1.475 -3.361 -6.887 1.00 0.22 1IKL 463 ATOM 358 O GLU 24 -2.286 -3.035 -6.040 1.00 0.24 1IKL 464 ATOM 359 CB GLU 24 -3.249 -3.815 -8.599 1.00 0.32 1IKL 465 ATOM 360 CG GLU 24 -3.265 -3.930 -10.127 1.00 0.74 1IKL 466 ATOM 361 CD GLU 24 -4.535 -3.276 -10.677 1.00 1.29 1IKL 467 ATOM 362 OE1 GLU 24 -4.494 -2.088 -10.954 1.00 1.91 1IKL 468 ATOM 363 OE2 GLU 24 -5.528 -3.973 -10.812 1.00 1.93 1IKL 469 ATOM 364 H GLU 24 -2.297 -5.865 -6.675 1.00 0.20 1IKL 470 ATOM 365 HA GLU 24 -1.147 -4.197 -8.845 1.00 0.29 1IKL 471 ATOM 366 1HB GLU 24 -4.024 -4.442 -8.183 1.00 0.53 1IKL 472 ATOM 367 2HB GLU 24 -3.427 -2.789 -8.317 1.00 0.59 1IKL 473 ATOM 368 1HG GLU 24 -2.396 -3.432 -10.534 1.00 1.23 1IKL 474 ATOM 369 2HG GLU 24 -3.248 -4.972 -10.410 1.00 1.17 1IKL 475 ATOM 370 N LEU 25 -0.223 -2.959 -6.822 1.00 0.21 1IKL 476 ATOM 371 CA LEU 25 0.221 -2.085 -5.683 1.00 0.20 1IKL 477 ATOM 372 C LEU 25 0.344 -0.630 -6.156 1.00 0.21 1IKL 478 ATOM 373 O LEU 25 1.322 -0.251 -6.780 1.00 0.22 1IKL 479 ATOM 374 CB LEU 25 1.581 -2.569 -5.157 1.00 0.20 1IKL 480 ATOM 375 CG LEU 25 2.228 -1.473 -4.293 1.00 0.23 1IKL 481 ATOM 376 CD1 LEU 25 2.649 -2.055 -2.946 1.00 0.24 1IKL 482 ATOM 377 CD2 LEU 25 3.457 -0.905 -5.014 1.00 0.28 1IKL 483 ATOM 378 HA LEU 25 -0.509 -2.142 -4.887 1.00 0.21 1IKL 484 ATOM 379 1HB LEU 25 1.438 -3.460 -4.563 1.00 0.23 1IKL 485 ATOM 380 2HB LEU 25 2.228 -2.795 -5.991 1.00 0.20 1IKL 486 ATOM 381 HG LEU 25 1.512 -0.680 -4.126 1.00 0.29 1IKL 487 ATOM 382 1HD1 LEU 25 2.061 -2.936 -2.736 1.00 1.09 1IKL 488 ATOM 383 2HD1 LEU 25 3.695 -2.318 -2.979 1.00 1.03 1IKL 489 ATOM 384 3HD1 LEU 25 2.484 -1.319 -2.173 1.00 1.02 1IKL 490 ATOM 385 1HD2 LEU 25 3.416 -1.169 -6.061 1.00 1.10 1IKL 491 ATOM 386 2HD2 LEU 25 3.466 0.170 -4.916 1.00 1.06 1IKL 492 ATOM 387 3HD2 LEU 25 4.355 -1.314 -4.576 1.00 1.02 1IKL 493 ATOM 388 N ARG 26 -0.624 0.191 -5.862 1.00 0.21 1IKL 494 ATOM 389 CA ARG 26 -0.529 1.608 -6.298 1.00 0.23 1IKL 495 ATOM 390 C ARG 26 -0.624 2.530 -5.071 1.00 0.23 1IKL 496 ATOM 391 O ARG 26 -1.540 2.427 -4.279 1.00 0.27 1IKL 497 ATOM 392 CB ARG 26 -1.652 1.938 -7.295 1.00 0.26 1IKL 498 ATOM 393 CG ARG 26 -2.990 1.366 -6.805 1.00 1.37 1IKL 499 ATOM 394 CD ARG 26 -4.141 2.242 -7.308 1.00 1.58 1IKL 500 ATOM 395 NE ARG 26 -4.330 2.033 -8.775 1.00 2.54 1IKL 501 ATOM 396 CZ ARG 26 -5.356 2.566 -9.384 1.00 2.98 1IKL 502 ATOM 397 NH1 ARG 26 -6.420 1.843 -9.623 1.00 3.44 1IKL 503 ATOM 398 NH2 ARG 26 -5.316 3.821 -9.756 1.00 3.46 1IKL 504 ATOM 399 H ARG 26 -1.402 -0.122 -5.354 1.00 0.21 1IKL 505 ATOM 400 HA ARG 26 0.430 1.743 -6.779 1.00 0.24 1IKL 506 ATOM 401 1HB ARG 26 -1.736 3.010 -7.395 1.00 1.07 1IKL 507 ATOM 402 2HB ARG 26 -1.412 1.508 -8.257 1.00 1.03 1IKL 508 ATOM 403 1HG ARG 26 -3.110 0.361 -7.183 1.00 2.04 1IKL 509 ATOM 404 2HG ARG 26 -3.001 1.347 -5.726 1.00 2.08 1IKL 510 ATOM 405 1HD ARG 26 -5.049 1.975 -6.788 1.00 1.73 1IKL 511 ATOM 406 2HD ARG 26 -3.911 3.280 -7.120 1.00 1.85 1IKL 512 ATOM 407 HE ARG 26 -3.685 1.496 -9.282 1.00 3.15 1IKL 513 ATOM 408 1HH1 ARG 26 -6.447 0.884 -9.341 1.00 3.60 1IKL 514 ATOM 409 2HH1 ARG 26 -7.207 2.249 -10.088 1.00 3.91 1IKL 515 ATOM 410 1HH2 ARG 26 -4.500 4.371 -9.576 1.00 3.62 1IKL 516 ATOM 411 2HH2 ARG 26 -6.101 4.231 -10.221 1.00 3.96 1IKL 517 ATOM 412 N VAL 27 0.321 3.423 -4.906 1.00 0.23 1IKL 518 ATOM 413 CA VAL 27 0.297 4.344 -3.729 1.00 0.24 1IKL 519 ATOM 414 C VAL 27 -0.303 5.701 -4.128 1.00 0.28 1IKL 520 ATOM 415 O VAL 27 -0.216 6.115 -5.270 1.00 0.32 1IKL 521 ATOM 416 CB VAL 27 1.728 4.548 -3.215 1.00 0.26 1IKL 522 ATOM 417 CG1 VAL 27 2.244 3.246 -2.600 1.00 0.26 1IKL 523 ATOM 418 CG2 VAL 27 2.653 4.965 -4.366 1.00 0.29 1IKL 524 ATOM 419 H VAL 27 1.054 3.485 -5.549 1.00 0.26 1IKL 525 ATOM 420 HA VAL 27 -0.304 3.906 -2.945 1.00 0.24 1IKL 526 ATOM 421 HB VAL 27 1.723 5.318 -2.465 1.00 0.29 1IKL 527 ATOM 422 1HG1 VAL 27 1.499 2.847 -1.930 1.00 1.01 1IKL 528 ATOM 423 2HG1 VAL 27 2.443 2.531 -3.384 1.00 1.04 1IKL 529 ATOM 424 3HG1 VAL 27 3.153 3.442 -2.051 1.00 1.05 1IKL 530 ATOM 425 1HG2 VAL 27 2.149 5.688 -4.989 1.00 1.07 1IKL 531 ATOM 426 2HG2 VAL 27 3.553 5.403 -3.962 1.00 1.01 1IKL 532 ATOM 427 3HG2 VAL 27 2.908 4.097 -4.955 1.00 1.09 1IKL 533 ATOM 428 N ILE 28 -0.900 6.400 -3.188 1.00 0.30 1IKL 534 ATOM 429 CA ILE 28 -1.495 7.737 -3.500 1.00 0.35 1IKL 535 ATOM 430 C ILE 28 -0.588 8.829 -2.920 1.00 0.33 1IKL 536 ATOM 431 O ILE 28 -0.159 8.749 -1.783 1.00 0.40 1IKL 537 ATOM 432 CB ILE 28 -2.900 7.841 -2.883 1.00 0.41 1IKL 538 ATOM 433 CG1 ILE 28 -3.857 6.910 -3.639 1.00 0.58 1IKL 539 ATOM 434 CG2 ILE 28 -3.407 9.286 -2.986 1.00 0.45 1IKL 540 ATOM 435 CD1 ILE 28 -5.251 6.973 -3.005 1.00 0.90 1IKL 541 ATOM 436 H ILE 28 -0.949 6.049 -2.270 1.00 0.30 1IKL 542 ATOM 437 HA ILE 28 -1.561 7.858 -4.571 1.00 0.43 1IKL 543 ATOM 438 HB ILE 28 -2.858 7.549 -1.843 1.00 0.40 1IKL 544 ATOM 439 1HG1 ILE 28 -3.918 7.219 -4.672 1.00 1.17 1IKL 545 ATOM 440 2HG1 ILE 28 -3.487 5.897 -3.588 1.00 0.87 1IKL 546 ATOM 441 1HG2 ILE 28 -3.212 9.667 -3.977 1.00 1.15 1IKL 547 ATOM 442 2HG2 ILE 28 -4.470 9.310 -2.795 1.00 1.07 1IKL 548 ATOM 443 3HG2 ILE 28 -2.898 9.899 -2.258 1.00 1.05 1IKL 549 ATOM 444 1HD1 ILE 28 -5.184 6.707 -1.960 1.00 1.50 1IKL 550 ATOM 445 2HD1 ILE 28 -5.644 7.974 -3.098 1.00 1.58 1IKL 551 ATOM 446 3HD1 ILE 28 -5.907 6.281 -3.511 1.00 1.33 1IKL 552 ATOM 447 N GLU 29 -0.293 9.847 -3.695 1.00 0.41 1IKL 553 ATOM 448 CA GLU 29 0.586 10.948 -3.201 1.00 0.46 1IKL 554 ATOM 449 C GLU 29 -0.161 11.792 -2.158 1.00 0.38 1IKL 555 ATOM 450 O GLU 29 -1.337 11.596 -1.909 1.00 0.35 1IKL 556 ATOM 451 CB GLU 29 0.986 11.839 -4.379 1.00 0.61 1IKL 557 ATOM 452 CG GLU 29 1.962 11.086 -5.289 1.00 1.53 1IKL 558 ATOM 453 CD GLU 29 2.408 12.000 -6.433 1.00 2.08 1IKL 559 ATOM 454 OE1 GLU 29 1.733 12.017 -7.450 1.00 2.63 1IKL 560 ATOM 455 OE2 GLU 29 3.419 12.666 -6.274 1.00 2.59 1IKL 561 ATOM 456 H GLU 29 -0.650 9.887 -4.606 1.00 0.52 1IKL 562 ATOM 457 HA GLU 29 1.474 10.527 -2.753 1.00 0.51 1IKL 563 ATOM 458 1HB GLU 29 0.104 12.109 -4.939 1.00 1.02 1IKL 564 ATOM 459 2HB GLU 29 1.459 12.730 -4.008 1.00 1.12 1IKL 565 ATOM 460 1HG GLU 29 2.824 10.780 -4.714 1.00 2.05 1IKL 566 ATOM 461 2HG GLU 29 1.474 10.214 -5.697 1.00 2.12 1IKL 567 ATOM 462 N SER 30 0.520 12.731 -1.547 1.00 0.42 1IKL 568 ATOM 463 CA SER 30 -0.132 13.595 -0.519 1.00 0.40 1IKL 569 ATOM 464 C SER 30 -0.404 14.987 -1.103 1.00 0.39 1IKL 570 ATOM 465 O SER 30 0.167 15.376 -2.106 1.00 0.41 1IKL 571 ATOM 466 CB SER 30 0.783 13.725 0.705 1.00 0.51 1IKL 572 ATOM 467 OG SER 30 2.145 13.634 0.302 1.00 0.57 1IKL 573 ATOM 468 H SER 30 1.465 12.869 -1.766 1.00 0.49 1IKL 574 ATOM 469 HA SER 30 -1.067 13.147 -0.216 1.00 0.39 1IKL 575 ATOM 470 1HB SER 30 0.621 14.679 1.174 1.00 0.54 1IKL 576 ATOM 471 2HB SER 30 0.551 12.938 1.409 1.00 0.55 1IKL 577 ATOM 472 HG SER 30 2.622 13.145 0.976 1.00 1.13 1IKL 578 ATOM 473 N GLY 31 -1.278 15.733 -0.477 1.00 0.42 1IKL 579 ATOM 474 CA GLY 31 -1.612 17.104 -0.973 1.00 0.47 1IKL 580 ATOM 475 C GLY 31 -2.591 17.765 0.007 1.00 0.54 1IKL 581 ATOM 476 O GLY 31 -2.576 17.462 1.186 1.00 0.56 1IKL 582 ATOM 477 H GLY 31 -1.721 15.388 0.327 1.00 0.44 1IKL 583 ATOM 478 1HA GLY 31 -0.712 17.688 -1.049 1.00 0.51 1IKL 584 ATOM 479 2HA GLY 31 -2.075 17.030 -1.944 1.00 0.51 1IKL 585 ATOM 480 N PRO 32 -3.441 18.625 -0.511 1.00 0.64 1IKL 586 ATOM 481 CA PRO 32 -4.469 19.307 0.303 1.00 0.78 1IKL 587 ATOM 482 C PRO 32 -5.574 18.299 0.650 1.00 0.81 1IKL 588 ATOM 483 O PRO 32 -6.170 18.347 1.710 1.00 0.90 1IKL 589 ATOM 484 CB PRO 32 -4.979 20.424 -0.615 1.00 0.89 1IKL 590 ATOM 485 CG PRO 32 -4.630 19.992 -2.059 1.00 0.81 1IKL 591 ATOM 486 CD PRO 32 -3.467 18.989 -1.946 1.00 0.66 1IKL 592 ATOM 487 HA PRO 32 -4.035 19.725 1.196 1.00 0.83 1IKL 593 ATOM 488 1HB PRO 32 -6.050 20.535 -0.505 1.00 1.00 1IKL 594 ATOM 489 2HB PRO 32 -4.482 21.353 -0.383 1.00 0.94 1IKL 595 ATOM 490 1HG PRO 32 -5.485 19.522 -2.519 1.00 0.87 1IKL 596 ATOM 491 2HG PRO 32 -4.319 20.847 -2.638 1.00 0.85 1IKL 597 ATOM 492 1HD PRO 32 -3.659 18.119 -2.558 1.00 0.64 1IKL 598 ATOM 493 2HD PRO 32 -2.536 19.455 -2.228 1.00 0.64 1IKL 599 ATOM 494 N HIS 33 -5.814 17.369 -0.243 1.00 0.77 1IKL 600 ATOM 495 CA HIS 33 -6.838 16.303 -0.016 1.00 0.83 1IKL 601 ATOM 496 C HIS 33 -6.425 15.435 1.187 1.00 0.75 1IKL 602 ATOM 497 O HIS 33 -7.256 14.982 1.949 1.00 0.85 1IKL 603 ATOM 498 CB HIS 33 -6.934 15.417 -1.275 1.00 0.85 1IKL 604 ATOM 499 CG HIS 33 -5.571 14.852 -1.614 1.00 0.71 1IKL 605 ATOM 500 ND1 HIS 33 -4.627 15.576 -2.330 1.00 0.67 1IKL 606 ATOM 501 CD2 HIS 33 -4.963 13.661 -1.298 1.00 0.68 1IKL 607 ATOM 502 CE1 HIS 33 -3.513 14.829 -2.408 1.00 0.61 1IKL 608 ATOM 503 NE2 HIS 33 -3.664 13.650 -1.800 1.00 0.64 1IKL 609 ATOM 504 H HIS 33 -5.298 17.363 -1.070 1.00 0.72 1IKL 610 ATOM 505 HA HIS 33 -7.796 16.758 0.179 1.00 0.97 1IKL 611 ATOM 506 1HB HIS 33 -7.620 14.609 -1.088 1.00 0.92 1IKL 612 ATOM 507 2HB HIS 33 -7.294 16.007 -2.103 1.00 0.93 1IKL 613 ATOM 508 HD1 HIS 33 -4.753 16.464 -2.721 1.00 0.71 1IKL 614 ATOM 509 HD2 HIS 33 -5.423 12.856 -0.744 1.00 0.73 1IKL 615 ATOM 510 HE1 HIS 33 -2.593 15.162 -2.872 1.00 0.61 1IKL 616 ATOM 511 N CYS 34 -5.141 15.206 1.354 1.00 0.59 1IKL 617 ATOM 512 CA CYS 34 -4.649 14.378 2.488 1.00 0.55 1IKL 618 ATOM 513 C CYS 34 -3.146 14.621 2.668 1.00 0.51 1IKL 619 ATOM 514 O CYS 34 -2.342 14.220 1.847 1.00 0.50 1IKL 620 ATOM 515 CB CYS 34 -4.905 12.892 2.198 1.00 0.50 1IKL 621 ATOM 516 SG CYS 34 -5.264 12.026 3.747 1.00 0.66 1IKL 622 ATOM 517 H CYS 34 -4.499 15.585 0.730 1.00 0.54 1IKL 623 ATOM 518 HA CYS 34 -5.168 14.668 3.381 1.00 0.67 1IKL 624 ATOM 519 1HB CYS 34 -5.747 12.794 1.529 1.00 0.54 1IKL 625 ATOM 520 2HB CYS 34 -4.029 12.459 1.739 1.00 0.52 1IKL 626 ATOM 521 N ALA 35 -2.768 15.284 3.735 1.00 0.64 1IKL 627 ATOM 522 CA ALA 35 -1.318 15.571 3.979 1.00 0.72 1IKL 628 ATOM 523 C ALA 35 -0.542 14.263 4.189 1.00 0.57 1IKL 629 ATOM 524 O ALA 35 0.608 14.153 3.808 1.00 0.60 1IKL 630 ATOM 525 CB ALA 35 -1.177 16.451 5.224 1.00 0.97 1IKL 631 ATOM 526 H ALA 35 -3.440 15.599 4.375 1.00 0.75 1IKL 632 ATOM 527 HA ALA 35 -0.911 16.092 3.128 1.00 0.81 1IKL 633 ATOM 528 1HB ALA 35 -1.829 17.307 5.136 1.00 1.44 1IKL 634 ATOM 529 2HB ALA 35 -1.447 15.881 6.101 1.00 1.49 1IKL 635 ATOM 530 3HB ALA 35 -0.154 16.786 5.314 1.00 1.43 1IKL 636 ATOM 531 N ASN 36 -1.161 13.276 4.791 1.00 0.51 1IKL 637 ATOM 532 CA ASN 36 -0.463 11.977 5.026 1.00 0.46 1IKL 638 ATOM 533 C ASN 36 -0.549 11.106 3.767 1.00 0.39 1IKL 639 ATOM 534 O ASN 36 -1.600 10.966 3.169 1.00 0.38 1IKL 640 ATOM 535 CB ASN 36 -1.125 11.246 6.198 1.00 0.57 1IKL 641 ATOM 536 CG ASN 36 -0.442 11.651 7.508 1.00 0.69 1IKL 642 ATOM 537 OD1 ASN 36 0.303 10.880 8.080 1.00 1.27 1IKL 643 ATOM 538 ND2 ASN 36 -0.663 12.836 8.011 1.00 1.35 1IKL 644 ATOM 539 H ASN 36 -2.087 13.391 5.088 1.00 0.58 1IKL 645 ATOM 540 HA ASN 36 0.574 12.166 5.261 1.00 0.52 1IKL 646 ATOM 541 1HB ASN 36 -2.173 11.507 6.241 1.00 0.61 1IKL 647 ATOM 542 2HB ASN 36 -1.026 10.181 6.059 1.00 0.60 1IKL 648 ATOM 543 1HD2 ASN 36 -0.229 13.101 8.849 1.00 1.41 1IKL 649 ATOM 544 2HD2 ASN 36 -1.262 13.461 7.551 1.00 2.08 1IKL 650 ATOM 545 N THR 37 0.554 10.516 3.370 1.00 0.40 1IKL 651 ATOM 546 CA THR 37 0.555 9.640 2.156 1.00 0.35 1IKL 652 ATOM 547 C THR 37 -0.146 8.317 2.494 1.00 0.32 1IKL 653 ATOM 548 O THR 37 -0.081 7.843 3.615 1.00 0.42 1IKL 654 ATOM 549 CB THR 37 2.005 9.367 1.727 1.00 0.45 1IKL 655 ATOM 550 OG1 THR 37 2.694 10.602 1.577 1.00 0.57 1IKL 656 ATOM 551 CG2 THR 37 2.025 8.613 0.395 1.00 0.47 1IKL 657 ATOM 552 H THR 37 1.383 10.645 3.877 1.00 0.47 1IKL 658 ATOM 553 HA THR 37 0.027 10.134 1.354 1.00 0.34 1IKL 659 ATOM 554 HB THR 37 2.497 8.770 2.480 1.00 0.52 1IKL 660 ATOM 555 HG1 THR 37 3.346 10.667 2.278 1.00 0.94 1IKL 661 ATOM 556 1HG2 THR 37 1.363 7.762 0.452 1.00 1.14 1IKL 662 ATOM 557 2HG2 THR 37 1.699 9.272 -0.396 1.00 1.12 1IKL 663 ATOM 558 3HG2 THR 37 3.029 8.273 0.189 1.00 1.10 1IKL 664 ATOM 559 N GLU 38 -0.819 7.719 1.539 1.00 0.29 1IKL 665 ATOM 560 CA GLU 38 -1.525 6.432 1.812 1.00 0.38 1IKL 666 ATOM 561 C GLU 38 -1.214 5.429 0.701 1.00 0.34 1IKL 667 ATOM 562 O GLU 38 -1.374 5.718 -0.471 1.00 0.39 1IKL 668 ATOM 563 CB GLU 38 -3.036 6.682 1.874 1.00 0.52 1IKL 669 ATOM 564 CG GLU 38 -3.663 5.781 2.943 1.00 1.19 1IKL 670 ATOM 565 CD GLU 38 -3.487 6.420 4.324 1.00 1.65 1IKL 671 ATOM 566 OE1 GLU 38 -2.449 6.205 4.929 1.00 2.15 1IKL 672 ATOM 567 OE2 GLU 38 -4.394 7.114 4.753 1.00 2.34 1IKL 673 ATOM 568 H GLU 38 -0.861 8.117 0.641 1.00 0.30 1IKL 674 ATOM 569 HA GLU 38 -1.189 6.032 2.758 1.00 0.45 1IKL 675 ATOM 570 1HB GLU 38 -3.220 7.718 2.122 1.00 0.97 1IKL 676 ATOM 571 2HB GLU 38 -3.478 6.459 0.914 1.00 0.90 1IKL 677 ATOM 572 1HG GLU 38 -4.716 5.657 2.734 1.00 1.68 1IKL 678 ATOM 573 2HG GLU 38 -3.178 4.817 2.930 1.00 1.84 1IKL 679 ATOM 574 N ILE 39 -0.776 4.249 1.063 1.00 0.29 1IKL 680 ATOM 575 CA ILE 39 -0.457 3.215 0.037 1.00 0.27 1IKL 681 ATOM 576 C ILE 39 -1.727 2.405 -0.263 1.00 0.28 1IKL 682 ATOM 577 O ILE 39 -2.651 2.377 0.526 1.00 0.44 1IKL 683 ATOM 578 CB ILE 39 0.648 2.296 0.595 1.00 0.27 1IKL 684 ATOM 579 CG1 ILE 39 1.980 3.059 0.626 1.00 0.28 1IKL 685 ATOM 580 CG2 ILE 39 0.803 1.043 -0.276 1.00 0.28 1IKL 686 ATOM 581 CD1 ILE 39 2.396 3.321 2.076 1.00 0.36 1IKL 687 ATOM 582 H ILE 39 -0.661 4.038 2.019 1.00 0.30 1IKL 688 ATOM 583 HA ILE 39 -0.109 3.693 -0.867 1.00 0.26 1IKL 689 ATOM 584 HB ILE 39 0.384 1.998 1.599 1.00 0.30 1IKL 690 ATOM 585 1HG1 ILE 39 2.743 2.472 0.135 1.00 0.35 1IKL 691 ATOM 586 2HG1 ILE 39 1.868 4.002 0.111 1.00 0.35 1IKL 692 ATOM 587 1HG2 ILE 39 0.775 1.321 -1.319 1.00 1.03 1IKL 693 ATOM 588 2HG2 ILE 39 1.747 0.567 -0.056 1.00 1.04 1IKL 694 ATOM 589 3HG2 ILE 39 -0.003 0.356 -0.065 1.00 1.08 1IKL 695 ATOM 590 1HD1 ILE 39 1.979 2.557 2.715 1.00 1.06 1IKL 696 ATOM 591 2HD1 ILE 39 3.474 3.303 2.150 1.00 1.09 1IKL 697 ATOM 592 3HD1 ILE 39 2.032 4.289 2.387 1.00 1.11 1IKL 698 ATOM 593 N ILE 40 -1.779 1.744 -1.394 1.00 0.23 1IKL 699 ATOM 594 CA ILE 40 -2.980 0.920 -1.731 1.00 0.24 1IKL 700 ATOM 595 C ILE 40 -2.533 -0.307 -2.523 1.00 0.24 1IKL 701 ATOM 596 O ILE 40 -1.771 -0.208 -3.464 1.00 0.50 1IKL 702 ATOM 597 CB ILE 40 -3.991 1.720 -2.564 1.00 0.27 1IKL 703 ATOM 598 CG1 ILE 40 -4.407 2.982 -1.800 1.00 0.31 1IKL 704 ATOM 599 CG2 ILE 40 -5.228 0.848 -2.820 1.00 0.28 1IKL 705 ATOM 600 CD1 ILE 40 -5.301 3.850 -2.687 1.00 0.38 1IKL 706 ATOM 601 H ILE 40 -1.023 1.779 -2.017 1.00 0.29 1IKL 707 ATOM 602 HA ILE 40 -3.452 0.594 -0.815 1.00 0.23 1IKL 708 ATOM 603 HB ILE 40 -3.544 1.996 -3.507 1.00 0.30 1IKL 709 ATOM 604 1HG1 ILE 40 -4.947 2.702 -0.908 1.00 0.31 1IKL 710 ATOM 605 2HG1 ILE 40 -3.525 3.540 -1.526 1.00 0.31 1IKL 711 ATOM 606 1HG2 ILE 40 -5.514 0.352 -1.904 1.00 0.98 1IKL 712 ATOM 607 2HG2 ILE 40 -6.043 1.467 -3.163 1.00 1.03 1IKL 713 ATOM 608 3HG2 ILE 40 -4.996 0.108 -3.572 1.00 0.97 1IKL 714 ATOM 609 1HD1 ILE 40 -6.089 3.244 -3.108 1.00 1.19 1IKL 715 ATOM 610 2HD1 ILE 40 -5.733 4.643 -2.095 1.00 1.07 1IKL 716 ATOM 611 3HD1 ILE 40 -4.711 4.277 -3.485 1.00 1.00 1IKL 717 ATOM 612 N VAL 41 -3.005 -1.459 -2.142 1.00 0.25 1IKL 718 ATOM 613 CA VAL 41 -2.630 -2.705 -2.845 1.00 0.21 1IKL 719 ATOM 614 C VAL 41 -3.896 -3.521 -3.129 1.00 0.21 1IKL 720 ATOM 615 O VAL 41 -4.946 -3.273 -2.565 1.00 0.23 1IKL 721 ATOM 616 CB VAL 41 -1.678 -3.518 -1.967 1.00 0.17 1IKL 722 ATOM 617 CG1 VAL 41 -0.349 -2.774 -1.823 1.00 0.20 1IKL 723 ATOM 618 CG2 VAL 41 -2.286 -3.745 -0.579 1.00 0.18 1IKL 724 ATOM 619 H VAL 41 -3.608 -1.508 -1.387 1.00 0.45 1IKL 725 ATOM 620 HA VAL 41 -2.140 -2.462 -3.777 1.00 0.21 1IKL 726 ATOM 621 HB VAL 41 -1.507 -4.462 -2.435 1.00 0.19 1IKL 727 ATOM 622 1HG1 VAL 41 -0.534 -1.771 -1.470 1.00 1.01 1IKL 728 ATOM 623 2HG1 VAL 41 0.280 -3.294 -1.115 1.00 1.01 1IKL 729 ATOM 624 3HG1 VAL 41 0.145 -2.734 -2.782 1.00 1.00 1IKL 730 ATOM 625 1HG2 VAL 41 -3.363 -3.771 -0.657 1.00 1.02 1IKL 731 ATOM 626 2HG2 VAL 41 -1.932 -4.684 -0.181 1.00 0.99 1IKL 732 ATOM 627 3HG2 VAL 41 -1.992 -2.941 0.079 1.00 1.04 1IKL 733 ATOM 628 N LYS 42 -3.800 -4.493 -3.996 1.00 0.20 1IKL 734 ATOM 629 CA LYS 42 -4.987 -5.334 -4.321 1.00 0.22 1IKL 735 ATOM 630 C LYS 42 -4.563 -6.805 -4.352 1.00 0.21 1IKL 736 ATOM 631 O LYS 42 -4.095 -7.302 -5.359 1.00 0.25 1IKL 737 ATOM 632 CB LYS 42 -5.550 -4.921 -5.687 1.00 0.27 1IKL 738 ATOM 633 CG LYS 42 -7.018 -4.517 -5.533 1.00 0.37 1IKL 739 ATOM 634 CD LYS 42 -7.574 -4.081 -6.890 1.00 0.92 1IKL 740 ATOM 635 CE LYS 42 -9.104 -4.107 -6.849 1.00 1.41 1IKL 741 ATOM 636 NZ LYS 42 -9.648 -3.288 -7.970 1.00 2.00 1IKL 742 ATOM 637 H LYS 42 -2.943 -4.670 -4.433 1.00 0.20 1IKL 743 ATOM 638 HA LYS 42 -5.743 -5.195 -3.562 1.00 0.22 1IKL 744 ATOM 639 1HB LYS 42 -4.984 -4.084 -6.071 1.00 0.30 1IKL 745 ATOM 640 2HB LYS 42 -5.478 -5.750 -6.375 1.00 0.32 1IKL 746 ATOM 641 1HG LYS 42 -7.586 -5.359 -5.163 1.00 0.76 1IKL 747 ATOM 642 2HG LYS 42 -7.095 -3.696 -4.835 1.00 0.75 1IKL 748 ATOM 643 1HD LYS 42 -7.235 -3.080 -7.113 1.00 1.46 1IKL 749 ATOM 644 2HD LYS 42 -7.226 -4.758 -7.656 1.00 1.68 1IKL 750 ATOM 645 1HE LYS 42 -9.449 -5.126 -6.948 1.00 2.04 1IKL 751 ATOM 646 2HE LYS 42 -9.446 -3.701 -5.908 1.00 1.91 1IKL 752 ATOM 647 1HZ LYS 42 -9.284 -3.650 -8.874 1.00 2.37 1IKL 753 ATOM 648 2HZ LYS 42 -10.686 -3.346 -7.969 1.00 2.40 1IKL 754 ATOM 649 3HZ LYS 42 -9.355 -2.296 -7.849 1.00 2.49 1IKL 755 ATOM 650 N LEU 43 -4.716 -7.499 -3.246 1.00 0.19 1IKL 756 ATOM 651 CA LEU 43 -4.321 -8.939 -3.178 1.00 0.20 1IKL 757 ATOM 652 C LEU 43 -4.917 -9.717 -4.352 1.00 0.24 1IKL 758 ATOM 653 O LEU 43 -6.039 -9.477 -4.767 1.00 0.26 1IKL 759 ATOM 654 CB LEU 43 -4.840 -9.547 -1.878 1.00 0.22 1IKL 760 ATOM 655 CG LEU 43 -4.005 -9.043 -0.695 1.00 0.20 1IKL 761 ATOM 656 CD1 LEU 43 -4.704 -9.404 0.617 1.00 0.25 1IKL 762 ATOM 657 CD2 LEU 43 -2.620 -9.696 -0.730 1.00 0.24 1IKL 763 ATOM 658 H LEU 43 -5.086 -7.068 -2.449 1.00 0.22 1IKL 764 ATOM 659 HA LEU 43 -3.245 -9.016 -3.204 1.00 0.21 1IKL 765 ATOM 660 1HB LEU 43 -5.869 -9.266 -1.745 1.00 0.24 1IKL 766 ATOM 661 2HB LEU 43 -4.773 -10.617 -1.936 1.00 0.25 1IKL 767 ATOM 662 HG LEU 43 -3.900 -7.970 -0.762 1.00 0.20 1IKL 768 ATOM 663 1HD1 LEU 43 -5.159 -10.379 0.527 1.00 1.02 1IKL 769 ATOM 664 2HD1 LEU 43 -3.979 -9.417 1.418 1.00 1.03 1IKL 770 ATOM 665 3HD1 LEU 43 -5.465 -8.669 0.833 1.00 1.06 1IKL 771 ATOM 666 1HD2 LEU 43 -2.719 -10.736 -1.004 1.00 1.04 1IKL 772 ATOM 667 2HD2 LEU 43 -2.001 -9.190 -1.456 1.00 1.05 1IKL 773 ATOM 668 3HD2 LEU 43 -2.163 -9.623 0.246 1.00 1.00 1IKL 774 ATOM 669 N SER 44 -4.163 -10.654 -4.875 1.00 0.28 1IKL 775 ATOM 670 CA SER 44 -4.638 -11.484 -6.021 1.00 0.33 1IKL 776 ATOM 671 C SER 44 -5.917 -12.241 -5.641 1.00 0.32 1IKL 777 ATOM 672 O SER 44 -6.717 -12.576 -6.495 1.00 0.35 1IKL 778 ATOM 673 CB SER 44 -3.551 -12.487 -6.410 1.00 0.40 1IKL 779 ATOM 674 OG SER 44 -2.503 -11.804 -7.084 1.00 1.45 1IKL 780 ATOM 675 H SER 44 -3.277 -10.814 -4.504 1.00 0.29 1IKL 781 ATOM 676 HA SER 44 -4.841 -10.838 -6.856 1.00 0.35 1IKL 782 ATOM 677 1HB SER 44 -3.156 -12.955 -5.523 1.00 1.01 1IKL 783 ATOM 678 2HB SER 44 -3.975 -13.245 -7.056 1.00 1.14 1IKL 784 ATOM 679 HG SER 44 -2.482 -12.114 -7.993 1.00 1.81 1IKL 785 ATOM 680 N ASP 45 -6.123 -12.502 -4.368 1.00 0.32 1IKL 786 ATOM 681 CA ASP 45 -7.353 -13.219 -3.932 1.00 0.35 1IKL 787 ATOM 682 C ASP 45 -8.591 -12.341 -4.193 1.00 0.36 1IKL 788 ATOM 683 O ASP 45 -9.712 -12.810 -4.130 1.00 0.51 1IKL 789 ATOM 684 CB ASP 45 -7.262 -13.530 -2.433 1.00 0.36 1IKL 790 ATOM 685 CG ASP 45 -6.077 -14.464 -2.167 1.00 1.16 1IKL 791 ATOM 686 OD1 ASP 45 -6.260 -15.666 -2.267 1.00 1.90 1IKL 792 ATOM 687 OD2 ASP 45 -5.006 -13.960 -1.869 1.00 1.89 1IKL 793 ATOM 688 H ASP 45 -5.473 -12.217 -3.699 1.00 0.33 1IKL 794 ATOM 689 HA ASP 45 -7.438 -14.137 -4.483 1.00 0.41 1IKL 795 ATOM 690 1HB ASP 45 -7.125 -12.610 -1.883 1.00 0.88 1IKL 796 ATOM 691 2HB ASP 45 -8.174 -14.009 -2.109 1.00 0.92 1IKL 797 ATOM 692 N GLY 46 -8.394 -11.070 -4.478 1.00 0.34 1IKL 798 ATOM 693 CA GLY 46 -9.545 -10.157 -4.735 1.00 0.36 1IKL 799 ATOM 694 C GLY 46 -9.780 -9.285 -3.499 1.00 0.33 1IKL 800 ATOM 695 O GLY 46 -10.906 -8.974 -3.159 1.00 0.36 1IKL 801 ATOM 696 H GLY 46 -7.484 -10.713 -4.518 1.00 0.41 1IKL 802 ATOM 697 1HA GLY 46 -9.324 -9.529 -5.586 1.00 0.36 1IKL 803 ATOM 698 2HA GLY 46 -10.430 -10.738 -4.934 1.00 0.40 1IKL 804 ATOM 699 N ARG 47 -8.725 -8.897 -2.820 1.00 0.28 1IKL 805 ATOM 700 CA ARG 47 -8.884 -8.054 -1.597 1.00 0.28 1IKL 806 ATOM 701 C ARG 47 -8.251 -6.676 -1.824 1.00 0.25 1IKL 807 ATOM 702 O ARG 47 -7.382 -6.512 -2.656 1.00 0.27 1IKL 808 ATOM 703 CB ARG 47 -8.189 -8.753 -0.421 1.00 0.28 1IKL 809 ATOM 704 CG ARG 47 -8.640 -8.134 0.907 1.00 0.34 1IKL 810 ATOM 705 CD ARG 47 -10.119 -8.446 1.148 1.00 0.86 1IKL 811 ATOM 706 NE ARG 47 -10.529 -7.911 2.479 1.00 0.94 1IKL 812 ATOM 707 CZ ARG 47 -10.604 -8.709 3.512 1.00 1.40 1IKL 813 ATOM 708 NH1 ARG 47 -9.556 -8.889 4.275 1.00 2.19 1IKL 814 ATOM 709 NH2 ARG 47 -11.727 -9.324 3.782 1.00 2.01 1IKL 815 ATOM 710 H ARG 47 -7.822 -9.169 -3.112 1.00 0.27 1IKL 816 ATOM 711 HA ARG 47 -9.934 -7.935 -1.374 1.00 0.33 1IKL 817 ATOM 712 1HB ARG 47 -8.442 -9.804 -0.430 1.00 0.33 1IKL 818 ATOM 713 2HB ARG 47 -7.121 -8.643 -0.523 1.00 0.24 1IKL 819 ATOM 714 1HG ARG 47 -8.050 -8.547 1.713 1.00 0.51 1IKL 820 ATOM 715 2HG ARG 47 -8.500 -7.065 0.872 1.00 0.61 1IKL 821 ATOM 716 1HD ARG 47 -10.716 -7.983 0.376 1.00 1.19 1IKL 822 ATOM 717 2HD ARG 47 -10.271 -9.515 1.127 1.00 1.18 1IKL 823 ATOM 718 HE ARG 47 -10.743 -6.960 2.579 1.00 1.23 1IKL 824 ATOM 719 1HH1 ARG 47 -8.699 -8.417 4.068 1.00 2.53 1IKL 825 ATOM 720 2HH1 ARG 47 -9.612 -9.499 5.066 1.00 2.80 1IKL 826 ATOM 721 1HH2 ARG 47 -12.528 -9.184 3.199 1.00 2.36 1IKL 827 ATOM 722 2HH2 ARG 47 -11.786 -9.935 4.572 1.00 2.56 1IKL 828 ATOM 723 N GLU 48 -8.679 -5.687 -1.077 1.00 0.26 1IKL 829 ATOM 724 CA GLU 48 -8.101 -4.318 -1.220 1.00 0.26 1IKL 830 ATOM 725 C GLU 48 -7.674 -3.828 0.167 1.00 0.24 1IKL 831 ATOM 726 O GLU 48 -8.491 -3.678 1.057 1.00 0.28 1IKL 832 ATOM 727 CB GLU 48 -9.150 -3.368 -1.811 1.00 0.32 1IKL 833 ATOM 728 CG GLU 48 -8.461 -2.347 -2.724 1.00 0.62 1IKL 834 ATOM 729 CD GLU 48 -8.390 -0.988 -2.021 1.00 0.98 1IKL 835 ATOM 730 OE1 GLU 48 -7.645 -0.876 -1.058 1.00 1.74 1IKL 836 ATOM 731 OE2 GLU 48 -9.077 -0.081 -2.460 1.00 1.48 1IKL 837 ATOM 732 H GLU 48 -9.378 -5.850 -0.408 1.00 0.31 1IKL 838 ATOM 733 HA GLU 48 -7.238 -4.357 -1.870 1.00 0.24 1IKL 839 ATOM 734 1HB GLU 48 -9.867 -3.938 -2.385 1.00 0.51 1IKL 840 ATOM 735 2HB GLU 48 -9.660 -2.849 -1.012 1.00 0.35 1IKL 841 ATOM 736 1HG GLU 48 -7.462 -2.686 -2.953 1.00 0.89 1IKL 842 ATOM 737 2HG GLU 48 -9.025 -2.247 -3.640 1.00 1.01 1IKL 843 ATOM 738 N LEU 49 -6.399 -3.595 0.364 1.00 0.20 1IKL 844 ATOM 739 CA LEU 49 -5.916 -3.134 1.703 1.00 0.19 1IKL 845 ATOM 740 C LEU 49 -4.946 -1.967 1.533 1.00 0.20 1IKL 846 ATOM 741 O LEU 49 -3.954 -2.077 0.849 1.00 0.19 1IKL 847 ATOM 742 CB LEU 49 -5.173 -4.278 2.399 1.00 0.18 1IKL 848 ATOM 743 CG LEU 49 -5.948 -4.747 3.631 1.00 0.20 1IKL 849 ATOM 744 CD1 LEU 49 -6.925 -5.852 3.234 1.00 0.23 1IKL 850 ATOM 745 CD2 LEU 49 -4.961 -5.294 4.665 1.00 0.21 1IKL 851 ATOM 746 H LEU 49 -5.757 -3.734 -0.367 1.00 0.21 1IKL 852 ATOM 747 HA LEU 49 -6.755 -2.826 2.308 1.00 0.21 1IKL 853 ATOM 748 1HB LEU 49 -5.055 -5.104 1.712 1.00 0.19 1IKL 854 ATOM 749 2HB LEU 49 -4.199 -3.926 2.706 1.00 0.18 1IKL 855 ATOM 750 HG LEU 49 -6.494 -3.916 4.055 1.00 0.22 1IKL 856 ATOM 751 1HD1 LEU 49 -6.379 -6.669 2.784 1.00 1.01 1IKL 857 ATOM 752 2HD1 LEU 49 -7.443 -6.206 4.113 1.00 1.05 1IKL 858 ATOM 753 3HD1 LEU 49 -7.640 -5.463 2.526 1.00 1.03 1IKL 859 ATOM 754 1HD2 LEU 49 -4.085 -4.665 4.693 1.00 0.98 1IKL 860 ATOM 755 2HD2 LEU 49 -5.427 -5.307 5.638 1.00 0.98 1IKL 861 ATOM 756 3HD2 LEU 49 -4.673 -6.299 4.391 1.00 0.99 1IKL 862 ATOM 757 N CYS 50 -5.197 -0.865 2.183 1.00 0.23 1IKL 863 ATOM 758 CA CYS 50 -4.261 0.286 2.080 1.00 0.24 1IKL 864 ATOM 759 C CYS 50 -3.177 0.098 3.134 1.00 0.22 1IKL 865 ATOM 760 O CYS 50 -3.447 -0.360 4.224 1.00 0.25 1IKL 866 ATOM 761 CB CYS 50 -4.991 1.591 2.324 1.00 0.30 1IKL 867 ATOM 762 SG CYS 50 -6.660 1.518 1.615 1.00 0.60 1IKL 868 ATOM 763 H CYS 50 -5.979 -0.805 2.762 1.00 0.25 1IKL 869 ATOM 764 HA CYS 50 -3.815 0.305 1.107 1.00 0.25 1IKL 870 ATOM 765 1HB CYS 50 -5.040 1.757 3.373 1.00 0.34 1IKL 871 ATOM 766 2HB CYS 50 -4.445 2.391 1.864 1.00 0.33 1IKL 872 ATOM 767 N LEU 51 -1.954 0.411 2.812 1.00 0.23 1IKL 873 ATOM 768 CA LEU 51 -0.853 0.207 3.784 1.00 0.22 1IKL 874 ATOM 769 C LEU 51 -0.495 1.504 4.503 1.00 0.24 1IKL 875 ATOM 770 O LEU 51 -0.675 2.599 3.993 1.00 0.25 1IKL 876 ATOM 771 CB LEU 51 0.381 -0.318 3.062 1.00 0.23 1IKL 877 ATOM 772 CG LEU 51 0.042 -1.554 2.206 1.00 0.26 1IKL 878 ATOM 773 CD1 LEU 51 1.294 -2.412 2.056 1.00 1.09 1IKL 879 ATOM 774 CD2 LEU 51 -1.051 -2.400 2.872 1.00 1.21 1IKL 880 ATOM 775 H LEU 51 -1.757 0.749 1.928 1.00 0.29 1IKL 881 ATOM 776 HA LEU 51 -1.161 -0.518 4.511 1.00 0.22 1IKL 882 ATOM 777 1HB LEU 51 0.776 0.460 2.434 1.00 0.28 1IKL 883 ATOM 778 2HB LEU 51 1.118 -0.586 3.790 1.00 0.32 1IKL 884 ATOM 779 HG LEU 51 -0.291 -1.233 1.229 1.00 1.08 1IKL 885 ATOM 780 1HD1 LEU 51 2.113 -1.798 1.716 1.00 1.69 1IKL 886 ATOM 781 2HD1 LEU 51 1.543 -2.848 3.013 1.00 1.71 1IKL 887 ATOM 782 3HD1 LEU 51 1.107 -3.197 1.341 1.00 1.70 1IKL 888 ATOM 783 1HD2 LEU 51 -0.927 -2.369 3.944 1.00 1.83 1IKL 889 ATOM 784 2HD2 LEU 51 -2.022 -2.007 2.610 1.00 1.74 1IKL 890 ATOM 785 3HD2 LEU 51 -0.974 -3.421 2.531 1.00 1.81 1IKL 891 ATOM 786 N ASP 52 0.031 1.355 5.689 1.00 0.25 1IKL 892 ATOM 787 CA ASP 52 0.444 2.523 6.515 1.00 0.28 1IKL 893 ATOM 788 C ASP 52 1.966 2.704 6.394 1.00 0.27 1IKL 894 ATOM 789 O ASP 52 2.722 1.842 6.806 1.00 0.26 1IKL 895 ATOM 790 CB ASP 52 0.073 2.242 7.980 1.00 0.29 1IKL 896 ATOM 791 CG ASP 52 0.008 3.548 8.790 1.00 0.41 1IKL 897 ATOM 792 OD1 ASP 52 0.775 4.455 8.504 1.00 1.24 1IKL 898 ATOM 793 OD2 ASP 52 -0.808 3.614 9.693 1.00 1.08 1IKL 899 ATOM 794 H ASP 52 0.165 0.451 6.036 1.00 0.25 1IKL 900 ATOM 795 HA ASP 52 -0.065 3.411 6.174 1.00 0.30 1IKL 901 ATOM 796 1HB ASP 52 -0.891 1.753 8.014 1.00 0.34 1IKL 902 ATOM 797 2HB ASP 52 0.813 1.590 8.415 1.00 0.30 1IKL 903 ATOM 798 N PRO 53 2.377 3.824 5.837 1.00 0.31 1IKL 904 ATOM 799 CA PRO 53 3.810 4.133 5.645 1.00 0.33 1IKL 905 ATOM 800 C PRO 53 4.525 4.394 6.983 1.00 0.35 1IKL 906 ATOM 801 O PRO 53 5.736 4.521 7.021 1.00 0.37 1IKL 907 ATOM 802 CB PRO 53 3.797 5.377 4.748 1.00 0.39 1IKL 908 ATOM 803 CG PRO 53 2.404 6.022 4.919 1.00 0.40 1IKL 909 ATOM 804 CD PRO 53 1.462 4.893 5.374 1.00 0.35 1IKL 910 ATOM 805 HA PRO 53 4.293 3.323 5.123 1.00 0.32 1IKL 911 ATOM 806 1HB PRO 53 4.571 6.067 5.059 1.00 0.42 1IKL 912 ATOM 807 2HB PRO 53 3.943 5.095 3.718 1.00 0.39 1IKL 913 ATOM 808 1HG PRO 53 2.445 6.802 5.668 1.00 0.43 1IKL 914 ATOM 809 2HG PRO 53 2.062 6.425 3.979 1.00 0.42 1IKL 915 ATOM 810 1HD PRO 53 0.829 5.233 6.182 1.00 0.36 1IKL 916 ATOM 811 2HD PRO 53 0.866 4.540 4.547 1.00 0.34 1IKL 917 ATOM 812 N LYS 54 3.800 4.455 8.080 1.00 0.35 1IKL 918 ATOM 813 CA LYS 54 4.449 4.684 9.399 1.00 0.37 1IKL 919 ATOM 814 C LYS 54 5.363 3.498 9.745 1.00 0.34 1IKL 920 ATOM 815 O LYS 54 6.335 3.653 10.461 1.00 0.36 1IKL 921 ATOM 816 CB LYS 54 3.381 4.835 10.487 1.00 0.40 1IKL 922 ATOM 817 CG LYS 54 3.273 6.305 10.899 1.00 0.57 1IKL 923 ATOM 818 CD LYS 54 2.029 6.505 11.766 1.00 1.32 1IKL 924 ATOM 819 CE LYS 54 2.031 7.922 12.345 1.00 1.79 1IKL 925 ATOM 820 NZ LYS 54 0.976 8.037 13.392 1.00 2.49 1IKL 926 ATOM 821 H LYS 54 2.835 4.343 8.037 1.00 0.34 1IKL 927 ATOM 822 HA LYS 54 5.034 5.583 9.347 1.00 0.41 1IKL 928 ATOM 823 1HB LYS 54 2.430 4.495 10.108 1.00 0.52 1IKL 929 ATOM 824 2HB LYS 54 3.656 4.242 11.347 1.00 0.43 1IKL 930 ATOM 825 1HG LYS 54 4.153 6.586 11.460 1.00 1.05 1IKL 931 ATOM 826 2HG LYS 54 3.197 6.921 10.016 1.00 1.07 1IKL 932 ATOM 827 1HD LYS 54 1.144 6.363 11.163 1.00 1.96 1IKL 933 ATOM 828 2HD LYS 54 2.033 5.789 12.575 1.00 1.83 1IKL 934 ATOM 829 1HE LYS 54 2.996 8.131 12.783 1.00 2.14 1IKL 935 ATOM 830 2HE LYS 54 1.834 8.633 11.555 1.00 2.24 1IKL 936 ATOM 831 1HZ LYS 54 0.056 7.761 12.989 1.00 2.83 1IKL 937 ATOM 832 2HZ LYS 54 1.208 7.412 14.190 1.00 2.86 1IKL 938 ATOM 833 3HZ LYS 54 0.926 9.019 13.728 1.00 2.95 1IKL 939 ATOM 834 N GLU 55 5.064 2.317 9.244 1.00 0.30 1IKL 940 ATOM 835 CA GLU 55 5.916 1.138 9.546 1.00 0.29 1IKL 941 ATOM 836 C GLU 55 7.080 1.079 8.561 1.00 0.29 1IKL 942 ATOM 837 O GLU 55 7.078 1.731 7.531 1.00 0.30 1IKL 943 ATOM 838 CB GLU 55 5.099 -0.143 9.387 1.00 0.27 1IKL 944 ATOM 839 CG GLU 55 4.003 -0.209 10.450 1.00 0.39 1IKL 945 ATOM 840 CD GLU 55 2.693 0.347 9.884 1.00 1.74 1IKL 946 ATOM 841 OE1 GLU 55 2.083 -0.335 9.075 1.00 2.50 1IKL 947 ATOM 842 OE2 GLU 55 2.322 1.445 10.267 1.00 2.54 1IKL 948 ATOM 843 H GLU 55 4.280 2.203 8.666 1.00 0.29 1IKL 949 ATOM 844 HA GLU 55 6.293 1.206 10.555 1.00 0.31 1IKL 950 ATOM 845 1HB GLU 55 4.654 -0.162 8.406 1.00 0.27 1IKL 951 ATOM 846 2HB GLU 55 5.750 -0.991 9.495 1.00 0.28 1IKL 952 ATOM 847 1HG GLU 55 3.858 -1.234 10.748 1.00 1.00 1IKL 953 ATOM 848 2HG GLU 55 4.302 0.370 11.304 1.00 0.87 1IKL 954 ATOM 849 N ASN 56 8.050 0.263 8.859 1.00 0.31 1IKL 955 ATOM 850 CA ASN 56 9.208 0.099 7.939 1.00 0.32 1IKL 956 ATOM 851 C ASN 56 8.913 -1.055 6.977 1.00 0.30 1IKL 957 ATOM 852 O ASN 56 9.542 -1.184 5.946 1.00 0.31 1IKL 958 ATOM 853 CB ASN 56 10.464 -0.211 8.738 1.00 0.37 1IKL 959 ATOM 854 CG ASN 56 11.501 0.892 8.508 1.00 0.42 1IKL 960 ATOM 855 OD1 ASN 56 12.417 0.727 7.726 1.00 1.10 1IKL 961 ATOM 856 ND2 ASN 56 11.393 2.019 9.158 1.00 1.23 1IKL 962 ATOM 857 H ASN 56 7.999 -0.272 9.679 1.00 0.31 1IKL 963 ATOM 858 HA ASN 56 9.356 1.000 7.381 1.00 0.34 1IKL 964 ATOM 859 1HB ASN 56 10.213 -0.260 9.781 1.00 0.37 1IKL 965 ATOM 860 2HB ASN 56 10.868 -1.153 8.414 1.00 0.37 1IKL 966 ATOM 861 1HD2 ASN 56 12.051 2.731 9.015 1.00 1.25 1IKL 967 ATOM 862 2HD2 ASN 56 10.654 2.154 9.788 1.00 2.03 1IKL 968 ATOM 863 N TRP 57 7.953 -1.893 7.307 1.00 0.27 1IKL 969 ATOM 864 CA TRP 57 7.610 -3.028 6.423 1.00 0.24 1IKL 970 ATOM 865 C TRP 57 6.745 -2.533 5.268 1.00 0.21 1IKL 971 ATOM 866 O TRP 57 6.877 -2.992 4.159 1.00 0.20 1IKL 972 ATOM 867 CB TRP 57 6.886 -4.112 7.231 1.00 0.24 1IKL 973 ATOM 868 CG TRP 57 5.464 -3.754 7.519 1.00 0.22 1IKL 974 ATOM 869 CD1 TRP 57 5.020 -3.302 8.700 1.00 0.24 1IKL 975 ATOM 870 CD2 TRP 57 4.298 -3.836 6.647 1.00 0.20 1IKL 976 ATOM 871 NE1 TRP 57 3.654 -3.131 8.629 1.00 0.23 1IKL 977 ATOM 872 CE2 TRP 57 3.163 -3.430 7.382 1.00 0.20 1IKL 978 ATOM 873 CE3 TRP 57 4.114 -4.219 5.311 1.00 0.18 1IKL 979 ATOM 874 CZ2 TRP 57 1.889 -3.407 6.817 1.00 0.20 1IKL 980 ATOM 875 CZ3 TRP 57 2.837 -4.192 4.735 1.00 0.17 1IKL 981 ATOM 876 CH2 TRP 57 1.725 -3.787 5.485 1.00 0.18 1IKL 982 ATOM 877 H TRP 57 7.458 -1.772 8.135 1.00 0.27 1IKL 983 ATOM 878 HA TRP 57 8.520 -3.435 6.029 1.00 0.25 1IKL 984 ATOM 879 1HB TRP 57 6.895 -5.024 6.685 1.00 0.24 1IKL 985 ATOM 880 2HB TRP 57 7.409 -4.257 8.158 1.00 0.27 1IKL 986 ATOM 881 HD1 TRP 57 5.632 -3.120 9.563 1.00 0.26 1IKL 987 ATOM 882 HE1 TRP 57 3.091 -2.831 9.357 1.00 0.24 1IKL 988 ATOM 883 HE3 TRP 57 4.962 -4.533 4.723 1.00 0.19 1IKL 989 ATOM 884 HZ2 TRP 57 1.038 -3.093 7.405 1.00 0.22 1IKL 990 ATOM 885 HZ3 TRP 57 2.711 -4.479 3.708 1.00 0.16 1IKL 991 ATOM 886 HH2 TRP 57 0.744 -3.769 5.034 1.00 0.18 1IKL 992 ATOM 887 N VAL 58 5.868 -1.595 5.520 1.00 0.21 1IKL 993 ATOM 888 CA VAL 58 5.006 -1.063 4.421 1.00 0.20 1IKL 994 ATOM 889 C VAL 58 5.896 -0.357 3.388 1.00 0.22 1IKL 995 ATOM 890 O VAL 58 5.731 -0.533 2.196 1.00 0.22 1IKL 996 ATOM 891 CB VAL 58 3.989 -0.074 5.006 1.00 0.22 1IKL 997 ATOM 892 CG1 VAL 58 3.502 0.899 3.928 1.00 0.25 1IKL 998 ATOM 893 CG2 VAL 58 2.791 -0.837 5.561 1.00 0.22 1IKL 999 ATOM 894 H VAL 58 5.781 -1.240 6.434 1.00 0.23 1IKL1000 ATOM 895 HA VAL 58 4.486 -1.882 3.944 1.00 0.18 1IKL1001 ATOM 896 HB VAL 58 4.455 0.478 5.800 1.00 0.26 1IKL1002 ATOM 897 1HG1 VAL 58 3.361 0.366 2.999 1.00 1.06 1IKL1003 ATOM 898 2HG1 VAL 58 2.565 1.338 4.236 1.00 1.05 1IKL1004 ATOM 899 3HG1 VAL 58 4.236 1.678 3.789 1.00 1.04 1IKL1005 ATOM 900 1HG2 VAL 58 2.582 -1.685 4.930 1.00 0.98 1IKL1006 ATOM 901 2HG2 VAL 58 3.013 -1.176 6.562 1.00 0.98 1IKL1007 ATOM 902 3HG2 VAL 58 1.930 -0.188 5.586 1.00 0.97 1IKL1008 ATOM 903 N GLN 59 6.846 0.430 3.840 1.00 0.25 1IKL1009 ATOM 904 CA GLN 59 7.754 1.139 2.894 1.00 0.29 1IKL1010 ATOM 905 C GLN 59 8.740 0.136 2.272 1.00 0.27 1IKL1011 ATOM 906 O GLN 59 9.142 0.282 1.132 1.00 0.29 1IKL1012 ATOM 907 CB GLN 59 8.501 2.244 3.641 1.00 0.34 1IKL1013 ATOM 908 CG GLN 59 9.532 1.619 4.566 1.00 0.36 1IKL1014 ATOM 909 CD GLN 59 10.157 2.694 5.457 1.00 0.42 1IKL1015 ATOM 910 OE1 GLN 59 9.506 3.226 6.335 1.00 1.09 1IKL1016 ATOM 911 NE2 GLN 59 11.403 3.040 5.271 1.00 1.16 1IKL1017 ATOM 912 H GLN 59 6.967 0.547 4.804 1.00 0.27 1IKL1018 ATOM 913 HA GLN 59 7.174 1.580 2.116 1.00 0.30 1IKL1019 ATOM 914 1HB GLN 59 8.993 2.884 2.931 1.00 0.40 1IKL1020 ATOM 915 2HB GLN 59 7.800 2.823 4.224 1.00 0.33 1IKL1021 ATOM 916 1HG GLN 59 9.045 0.876 5.175 1.00 0.33 1IKL1022 ATOM 917 2HG GLN 59 10.297 1.151 3.970 1.00 0.41 1IKL1023 ATOM 918 1HE2 GLN 59 11.811 3.727 5.838 1.00 1.18 1IKL1024 ATOM 919 2HE2 GLN 59 11.931 2.611 4.565 1.00 1.93 1IKL1025 ATOM 920 N ARG 60 9.103 -0.897 3.001 1.00 0.26 1IKL1026 ATOM 921 CA ARG 60 10.030 -1.926 2.448 1.00 0.27 1IKL1027 ATOM 922 C ARG 60 9.236 -2.803 1.482 1.00 0.24 1IKL1028 ATOM 923 O ARG 60 9.705 -3.145 0.415 1.00 0.27 1IKL1029 ATOM 924 CB ARG 60 10.593 -2.782 3.586 1.00 0.29 1IKL1030 ATOM 925 CG ARG 60 11.821 -2.091 4.185 1.00 0.78 1IKL1031 ATOM 926 CD ARG 60 12.213 -2.784 5.493 1.00 1.25 1IKL1032 ATOM 927 NE ARG 60 13.030 -3.995 5.188 1.00 1.76 1IKL1033 ATOM 928 CZ ARG 60 14.336 -3.929 5.214 1.00 2.23 1IKL1034 ATOM 929 NH1 ARG 60 14.987 -3.465 4.178 1.00 2.79 1IKL1035 ATOM 930 NH2 ARG 60 14.989 -4.328 6.275 1.00 2.81 1IKL1036 ATOM 931 H ARG 60 8.744 -1.008 3.905 1.00 0.26 1IKL1037 ATOM 932 HA ARG 60 10.838 -1.441 1.919 1.00 0.29 1IKL1038 ATOM 933 1HB ARG 60 9.838 -2.905 4.350 1.00 0.60 1IKL1039 ATOM 934 2HB ARG 60 10.877 -3.748 3.203 1.00 0.63 1IKL1040 ATOM 935 1HG ARG 60 12.642 -2.147 3.485 1.00 1.37 1IKL1041 ATOM 936 2HG ARG 60 11.589 -1.055 4.385 1.00 1.46 1IKL1042 ATOM 937 1HD ARG 60 12.790 -2.103 6.102 1.00 1.91 1IKL1043 ATOM 938 2HD ARG 60 11.322 -3.076 6.027 1.00 1.77 1IKL1044 ATOM 939 HE ARG 60 12.587 -4.841 4.968 1.00 2.27 1IKL1045 ATOM 940 1HH1 ARG 60 14.486 -3.162 3.367 1.00 3.04 1IKL1046 ATOM 941 2HH1 ARG 60 15.986 -3.413 4.196 1.00 3.32 1IKL1047 ATOM 942 1HH2 ARG 60 14.490 -4.684 7.066 1.00 3.05 1IKL1048 ATOM 943 2HH2 ARG 60 15.988 -4.278 6.297 1.00 3.35 1IKL1049 ATOM 944 N VAL 61 8.020 -3.141 1.849 1.00 0.22 1IKL1050 ATOM 945 CA VAL 61 7.149 -3.967 0.963 1.00 0.21 1IKL1051 ATOM 946 C VAL 61 6.959 -3.226 -0.367 1.00 0.23 1IKL1052 ATOM 947 O VAL 61 7.002 -3.819 -1.429 1.00 0.25 1IKL1053 ATOM 948 CB VAL 61 5.792 -4.176 1.655 1.00 0.21 1IKL1054 ATOM 949 CG1 VAL 61 4.698 -4.456 0.622 1.00 0.27 1IKL1055 ATOM 950 CG2 VAL 61 5.894 -5.359 2.619 1.00 0.25 1IKL1056 ATOM 951 H VAL 61 7.670 -2.831 2.716 1.00 0.21 1IKL1057 ATOM 952 HA VAL 61 7.617 -4.921 0.781 1.00 0.23 1IKL1058 ATOM 953 HB VAL 61 5.535 -3.285 2.210 1.00 0.19 1IKL1059 ATOM 954 1HG1 VAL 61 5.094 -5.087 -0.158 1.00 1.04 1IKL1060 ATOM 955 2HG1 VAL 61 3.868 -4.953 1.102 1.00 1.10 1IKL1061 ATOM 956 3HG1 VAL 61 4.362 -3.523 0.195 1.00 1.01 1IKL1062 ATOM 957 1HG2 VAL 61 6.165 -6.248 2.071 1.00 1.02 1IKL1063 ATOM 958 2HG2 VAL 61 6.649 -5.152 3.364 1.00 0.98 1IKL1064 ATOM 959 3HG2 VAL 61 4.942 -5.511 3.105 1.00 1.00 1IKL1065 ATOM 960 N VAL 62 6.765 -1.928 -0.308 1.00 0.24 1IKL1066 ATOM 961 CA VAL 62 6.588 -1.126 -1.557 1.00 0.30 1IKL1067 ATOM 962 C VAL 62 7.871 -1.216 -2.393 1.00 0.33 1IKL1068 ATOM 963 O VAL 62 7.815 -1.376 -3.592 1.00 0.38 1IKL1069 ATOM 964 CB VAL 62 6.292 0.338 -1.195 1.00 0.36 1IKL1070 ATOM 965 CG1 VAL 62 6.331 1.210 -2.455 1.00 0.62 1IKL1071 ATOM 966 CG2 VAL 62 4.900 0.434 -0.560 1.00 0.58 1IKL1072 ATOM 967 H VAL 62 6.747 -1.480 0.562 1.00 0.24 1IKL1073 ATOM 968 HA VAL 62 5.764 -1.532 -2.127 1.00 0.29 1IKL1074 ATOM 969 HB VAL 62 7.034 0.691 -0.492 1.00 0.62 1IKL1075 ATOM 970 1HG1 VAL 62 5.775 0.726 -3.245 1.00 1.18 1IKL1076 ATOM 971 2HG1 VAL 62 5.889 2.172 -2.241 1.00 1.20 1IKL1077 ATOM 972 3HG1 VAL 62 7.356 1.347 -2.767 1.00 1.32 1IKL1078 ATOM 973 1HG2 VAL 62 4.741 -0.414 0.090 1.00 1.25 1IKL1079 ATOM 974 2HG2 VAL 62 4.829 1.345 0.015 1.00 1.21 1IKL1080 ATOM 975 3HG2 VAL 62 4.149 0.439 -1.336 1.00 1.21 1IKL1081 ATOM 976 N GLU 63 9.024 -1.129 -1.767 1.00 0.34 1IKL1082 ATOM 977 CA GLU 63 10.304 -1.228 -2.522 1.00 0.39 1IKL1083 ATOM 978 C GLU 63 10.501 -2.666 -3.005 1.00 0.38 1IKL1084 ATOM 979 O GLU 63 10.960 -2.892 -4.100 1.00 0.42 1IKL1085 ATOM 980 CB GLU 63 11.466 -0.825 -1.612 1.00 0.44 1IKL1086 ATOM 981 CG GLU 63 11.562 0.701 -1.540 1.00 0.75 1IKL1087 ATOM 982 CD GLU 63 12.437 1.102 -0.349 1.00 1.65 1IKL1088 ATOM 983 OE1 GLU 63 13.648 1.067 -0.490 1.00 2.30 1IKL1089 ATOM 984 OE2 GLU 63 11.880 1.439 0.684 1.00 2.36 1IKL1090 ATOM 985 H GLU 63 9.048 -1.006 -0.802 1.00 0.32 1IKL1091 ATOM 986 HA GLU 63 10.263 -0.574 -3.376 1.00 0.44 1IKL1092 ATOM 987 1HB GLU 63 11.300 -1.222 -0.620 1.00 0.54 1IKL1093 ATOM 988 2HB GLU 63 12.386 -1.222 -2.007 1.00 0.57 1IKL1094 ATOM 989 1HG GLU 63 11.999 1.077 -2.453 1.00 1.10 1IKL1095 ATOM 990 2HG GLU 63 10.574 1.119 -1.414 1.00 1.13 1IKL1096 ATOM 991 N LYS 64 10.141 -3.642 -2.207 1.00 0.34 1IKL1097 ATOM 992 CA LYS 64 10.287 -5.058 -2.641 1.00 0.36 1IKL1098 ATOM 993 C LYS 64 9.381 -5.306 -3.860 1.00 0.34 1IKL1099 ATOM 994 O LYS 64 9.622 -6.197 -4.653 1.00 0.41 1IKL1100 ATOM 995 CB LYS 64 9.874 -5.991 -1.497 1.00 0.37 1IKL1101 ATOM 996 CG LYS 64 10.771 -7.232 -1.495 1.00 0.48 1IKL1102 ATOM 997 CD LYS 64 11.061 -7.651 -0.052 1.00 1.17 1IKL1103 ATOM 998 CE LYS 64 12.243 -8.625 -0.027 1.00 1.64 1IKL1104 ATOM 999 NZ LYS 64 11.746 -10.022 -0.184 1.00 2.47 1IKL1105 ATOM 1000 H LYS 64 9.764 -3.443 -1.331 1.00 0.32 1IKL1106 ATOM 1001 HA LYS 64 11.312 -5.242 -2.906 1.00 0.42 1IKL1107 ATOM 1002 1HB LYS 64 9.978 -5.470 -0.555 1.00 0.37 1IKL1108 ATOM 1003 2HB LYS 64 8.846 -6.292 -1.629 1.00 0.35 1IKL1109 ATOM 1004 1HG LYS 64 10.269 -8.038 -2.012 1.00 0.95 1IKL1110 ATOM 1005 2HG LYS 64 11.700 -7.006 -1.996 1.00 0.93 1IKL1111 ATOM 1006 1HD LYS 64 11.303 -6.776 0.534 1.00 1.81 1IKL1112 ATOM 1007 2HD LYS 64 10.190 -8.134 0.365 1.00 1.81 1IKL1113 ATOM 1008 1HE LYS 64 12.919 -8.391 -0.836 1.00 1.91 1IKL1114 ATOM 1009 2HE LYS 64 12.764 -8.533 0.914 1.00 2.17 1IKL1115 ATOM 1010 1HZ LYS 64 11.178 -10.095 -1.052 1.00 2.90 1IKL1116 ATOM 1011 2HZ LYS 64 12.557 -10.672 -0.245 1.00 2.77 1IKL1117 ATOM 1012 3HZ LYS 64 11.158 -10.276 0.635 1.00 2.97 1IKL1118 ATOM 1013 N PHE 65 8.338 -4.517 -4.003 1.00 0.29 1IKL1119 ATOM 1014 CA PHE 65 7.398 -4.677 -5.145 1.00 0.28 1IKL1120 ATOM 1015 C PHE 65 7.762 -3.691 -6.271 1.00 0.38 1IKL1121 ATOM 1016 O PHE 65 7.695 -4.023 -7.439 1.00 0.45 1IKL1122 ATOM 1017 CB PHE 65 5.993 -4.367 -4.629 1.00 0.24 1IKL1123 ATOM 1018 CG PHE 65 4.965 -5.166 -5.390 1.00 0.23 1IKL1124 ATOM 1019 CD1 PHE 65 4.878 -6.552 -5.206 1.00 1.27 1IKL1125 ATOM 1020 CD2 PHE 65 4.093 -4.521 -6.270 1.00 1.18 1IKL1126 ATOM 1021 CE1 PHE 65 3.919 -7.290 -5.906 1.00 1.29 1IKL1127 ATOM 1022 CE2 PHE 65 3.132 -5.258 -6.968 1.00 1.16 1IKL1128 ATOM 1023 CZ PHE 65 3.044 -6.643 -6.787 1.00 0.31 1IKL1129 ATOM 1024 H PHE 65 8.165 -3.811 -3.346 1.00 0.28 1IKL1130 ATOM 1025 HA PHE 65 7.435 -5.690 -5.515 1.00 0.31 1IKL1131 ATOM 1026 1HB PHE 65 5.937 -4.619 -3.581 1.00 0.27 1IKL1132 ATOM 1027 2HB PHE 65 5.795 -3.314 -4.750 1.00 0.29 1IKL1133 ATOM 1028 HD1 PHE 65 5.554 -7.051 -4.526 1.00 2.17 1IKL1134 ATOM 1029 HD2 PHE 65 4.161 -3.453 -6.410 1.00 2.10 1IKL1135 ATOM 1030 HE1 PHE 65 3.852 -8.358 -5.764 1.00 2.21 1IKL1136 ATOM 1031 HE2 PHE 65 2.458 -4.759 -7.647 1.00 2.07 1IKL1137 ATOM 1032 HZ PHE 65 2.302 -7.212 -7.327 1.00 0.36 1IKL1138 ATOM 1033 N LEU 66 8.130 -2.478 -5.920 1.00 0.44 1IKL1139 ATOM 1034 CA LEU 66 8.485 -1.445 -6.951 1.00 0.59 1IKL1140 ATOM 1035 C LEU 66 10.016 -1.290 -7.081 1.00 0.63 1IKL1141 ATOM 1036 O LEU 66 10.495 -0.315 -7.630 1.00 0.93 1IKL1142 ATOM 1037 CB LEU 66 7.875 -0.101 -6.532 1.00 0.70 1IKL1143 ATOM 1038 CG LEU 66 7.117 0.510 -7.711 1.00 1.12 1IKL1144 ATOM 1039 CD1 LEU 66 5.758 1.028 -7.235 1.00 1.73 1IKL1145 ATOM 1040 CD2 LEU 66 7.929 1.669 -8.298 1.00 1.80 1IKL1146 ATOM 1041 H LEU 66 8.160 -2.239 -4.969 1.00 0.42 1IKL1147 ATOM 1042 HA LEU 66 8.076 -1.738 -7.905 1.00 0.70 1IKL1148 ATOM 1043 1HB LEU 66 7.194 -0.258 -5.708 1.00 1.07 1IKL1149 ATOM 1044 2HB LEU 66 8.662 0.572 -6.223 1.00 1.04 1IKL1150 ATOM 1045 HG LEU 66 6.969 -0.246 -8.466 1.00 1.81 1IKL1151 ATOM 1046 1HD1 LEU 66 5.892 1.628 -6.346 1.00 2.30 1IKL1152 ATOM 1047 2HD1 LEU 66 5.309 1.631 -8.011 1.00 2.19 1IKL1153 ATOM 1048 3HD1 LEU 66 5.112 0.192 -7.010 1.00 2.14 1IKL1154 ATOM 1049 1HD2 LEU 66 8.157 2.381 -7.518 1.00 2.23 1IKL1155 ATOM 1050 2HD2 LEU 66 8.849 1.289 -8.718 1.00 2.35 1IKL1156 ATOM 1051 3HD2 LEU 66 7.354 2.156 -9.072 1.00 2.27 1IKL1157 ATOM 1052 N LYS 67 10.778 -2.232 -6.571 1.00 0.58 1IKL1158 ATOM 1053 CA LYS 67 12.277 -2.155 -6.644 1.00 0.76 1IKL1159 ATOM 1054 C LYS 67 12.753 -1.839 -8.072 1.00 1.71 1IKL1160 ATOM 1055 O LYS 67 12.080 -2.132 -9.044 1.00 2.42 1IKL1161 ATOM 1056 CB LYS 67 12.871 -3.500 -6.208 1.00 1.27 1IKL1162 ATOM 1057 CG LYS 67 13.987 -3.267 -5.185 1.00 1.91 1IKL1163 ATOM 1058 CD LYS 67 15.347 -3.377 -5.877 1.00 2.34 1IKL1164 ATOM 1059 CE LYS 67 16.349 -2.444 -5.195 1.00 3.21 1IKL1165 ATOM 1060 NZ LYS 67 17.521 -2.234 -6.092 1.00 3.89 1IKL1166 ATOM 1061 H LYS 67 10.362 -2.993 -6.119 1.00 0.62 1IKL1167 ATOM 1062 HA LYS 67 12.626 -1.382 -5.976 1.00 1.33 1IKL1168 ATOM 1063 1HB LYS 67 12.097 -4.108 -5.763 1.00 1.87 1IKL1169 ATOM 1064 2HB LYS 67 13.277 -4.011 -7.069 1.00 1.72 1IKL1170 ATOM 1065 1HG LYS 67 13.880 -2.282 -4.753 1.00 2.44 1IKL1171 ATOM 1066 2HG LYS 67 13.921 -4.010 -4.405 1.00 2.49 1IKL1172 ATOM 1067 1HD LYS 67 15.701 -4.396 -5.814 1.00 2.48 1IKL1173 ATOM 1068 2HD LYS 67 15.246 -3.095 -6.914 1.00 2.73 1IKL1174 ATOM 1069 1HE LYS 67 15.877 -1.495 -4.991 1.00 3.69 1IKL1175 ATOM 1070 2HE LYS 67 16.681 -2.888 -4.267 1.00 3.41 1IKL1176 ATOM 1071 1HZ LYS 67 17.973 -3.148 -6.295 1.00 4.21 1IKL1177 ATOM 1072 2HZ LYS 67 17.203 -1.797 -6.981 1.00 4.17 1IKL1178 ATOM 1073 3HZ LYS 67 18.208 -1.608 -5.625 1.00 4.26 1IKL1179 ATOM 1074 N ARG 68 13.925 -1.245 -8.184 1.00 2.49 1IKL1180 ATOM 1075 CA ARG 68 14.511 -0.886 -9.521 1.00 3.67 1IKL1181 ATOM 1076 C ARG 68 13.743 0.283 -10.149 1.00 4.46 1IKL1182 ATOM 1077 O ARG 68 12.618 0.577 -9.784 1.00 4.38 1IKL1183 ATOM 1078 CB ARG 68 14.471 -2.086 -10.478 1.00 4.28 1IKL1184 ATOM 1079 CG ARG 68 15.133 -3.307 -9.827 1.00 4.45 1IKL1185 ATOM 1080 CD ARG 68 14.346 -4.575 -10.181 1.00 5.49 1IKL1186 ATOM 1081 NE ARG 68 14.229 -4.701 -11.665 1.00 5.99 1IKL1187 ATOM 1082 CZ ARG 68 15.235 -5.156 -12.367 1.00 6.70 1IKL1188 ATOM 1083 NH1 ARG 68 16.065 -4.319 -12.936 1.00 7.37 1IKL1189 ATOM 1084 NH2 ARG 68 15.408 -6.445 -12.501 1.00 7.02 1IKL1190 ATOM 1085 H ARG 68 14.432 -1.034 -7.372 1.00 2.64 1IKL1191 ATOM 1086 HA ARG 68 15.540 -0.588 -9.378 1.00 3.96 1IKL1192 ATOM 1087 1HB ARG 68 13.446 -2.316 -10.722 1.00 4.50 1IKL1193 ATOM 1088 2HB ARG 68 15.003 -1.836 -11.383 1.00 4.87 1IKL1194 ATOM 1089 1HG ARG 68 16.147 -3.401 -10.187 1.00 4.38 1IKL1195 ATOM 1090 2HG ARG 68 15.144 -3.183 -8.754 1.00 4.39 1IKL1196 ATOM 1091 1HD ARG 68 14.861 -5.438 -9.787 1.00 5.85 1IKL1197 ATOM 1092 2HD ARG 68 13.359 -4.517 -9.747 1.00 5.85 1IKL1198 ATOM 1093 HE ARG 68 13.397 -4.444 -12.113 1.00 6.03 1IKL1199 ATOM 1094 1HH1 ARG 68 15.931 -3.333 -12.834 1.00 7.38 1IKL1200 ATOM 1095 2HH1 ARG 68 16.834 -4.665 -13.474 1.00 8.03 1IKL1201 ATOM 1096 1HH2 ARG 68 14.773 -7.084 -12.066 1.00 6.76 1IKL1202 ATOM 1097 2HH2 ARG 68 16.177 -6.795 -13.038 1.00 7.70 1IKL1203 ATOM 1098 N ALA 69 14.353 0.944 -11.101 1.00 5.52 1IKL1204 ATOM 1099 CA ALA 69 13.690 2.095 -11.783 1.00 6.51 1IKL1205 ATOM 1100 C ALA 69 13.600 1.799 -13.282 1.00 7.25 1IKL1206 ATOM 1101 O ALA 69 14.588 1.476 -13.918 1.00 7.69 1IKL1207 ATOM 1102 CB ALA 69 14.513 3.368 -11.559 1.00 7.27 1IKL1208 ATOM 1103 H ALA 69 15.255 0.674 -11.373 1.00 5.79 1IKL1209 ATOM 1104 HA ALA 69 12.696 2.231 -11.382 1.00 6.49 1IKL1210 ATOM 1105 1HB ALA 69 15.537 3.192 -11.855 1.00 7.46 1IKL1211 ATOM 1106 2HB ALA 69 14.100 4.172 -12.150 1.00 7.55 1IKL1212 ATOM 1107 3HB ALA 69 14.482 3.637 -10.513 1.00 7.64 1IKL1213 ATOM 1108 N GLU 70 12.422 1.890 -13.847 1.00 7.64 1IKL1214 ATOM 1109 CA GLU 70 12.259 1.599 -15.302 1.00 8.57 1IKL1215 ATOM 1110 C GLU 70 11.979 2.906 -16.056 1.00 9.09 1IKL1216 ATOM 1111 O GLU 70 12.867 3.479 -16.659 1.00 9.29 1IKL1217 ATOM 1112 CB GLU 70 11.096 0.614 -15.494 1.00 8.91 1IKL1218 ATOM 1113 CG GLU 70 11.546 -0.812 -15.135 1.00 8.88 1IKL1219 ATOM 1114 CD GLU 70 11.850 -0.916 -13.633 1.00 9.64 1IKL1220 ATOM 1115 OE1 GLU 70 10.944 -0.694 -12.844 1.00 10.10 1IKL1221 ATOM 1116 OE2 GLU 70 12.984 -1.218 -13.300 1.00 9.93 1IKL1222 ATOM 1117 H GLU 70 11.641 2.141 -13.310 1.00 7.47 1IKL1223 ATOM 1118 HA GLU 70 13.168 1.157 -15.683 1.00 8.89 1IKL1224 ATOM 1119 1HB GLU 70 10.273 0.903 -14.857 1.00 9.04 1IKL1225 ATOM 1120 2HB GLU 70 10.776 0.637 -16.525 1.00 9.32 1IKL1226 ATOM 1121 1HG GLU 70 10.759 -1.507 -15.388 1.00 8.69 1IKL1227 ATOM 1122 2HG GLU 70 12.434 -1.059 -15.697 1.00 8.80 1IKL1228 ATOM 1123 N ASN 71 10.755 3.385 -16.022 1.00 9.55 1IKL1229 ATOM 1124 CA ASN 71 10.416 4.659 -16.730 1.00 10.29 1IKL1230 ATOM 1125 C ASN 71 8.996 5.089 -16.343 1.00 10.77 1IKL1231 ATOM 1126 O ASN 71 8.025 4.697 -16.966 1.00 10.98 1IKL1232 ATOM 1127 CB ASN 71 10.502 4.450 -18.249 1.00 10.97 1IKL1233 ATOM 1128 CG ASN 71 11.255 5.622 -18.885 1.00 11.36 1IKL1234 ATOM 1129 OD1 ASN 71 10.657 6.612 -19.258 1.00 11.35 1IKL1235 ATOM 1130 ND2 ASN 71 12.552 5.555 -19.023 1.00 11.92 1IKL1236 ATOM 1131 H ASN 71 10.058 2.908 -15.524 1.00 9.57 1IKL1237 ATOM 1132 HA ASN 71 11.115 5.427 -16.433 1.00 10.24 1IKL1238 ATOM 1133 1HB ASN 71 11.026 3.529 -18.458 1.00 11.00 1IKL1239 ATOM 1134 2HB ASN 71 9.506 4.399 -18.664 1.00 11.35 1IKL1240 ATOM 1135 1HD2 ASN 71 13.041 6.301 -19.429 1.00 12.30 1IKL1241 ATOM 1136 2HD2 ASN 71 13.038 4.758 -18.722 1.00 12.06 1IKL1242 ATOM 1137 N SER 72 8.869 5.888 -15.311 1.00 11.16 1IKL1243 ATOM 1138 CA SER 72 7.516 6.345 -14.870 1.00 11.85 1IKL1244 ATOM 1139 C SER 72 7.604 7.777 -14.327 1.00 12.27 1IKL1245 ATOM 1140 O SER 72 8.422 8.016 -13.451 1.00 12.28 1IKL1246 ATOM 1141 CB SER 72 6.995 5.411 -13.774 1.00 12.14 1IKL1247 ATOM 1142 OG SER 72 6.554 4.194 -14.364 1.00 12.16 1IKL1248 ATOM 1143 OXT SER 72 6.849 8.612 -14.797 1.00 12.74 1IKL1249 ATOM 1144 H SER 72 9.666 6.185 -14.823 1.00 11.13 1IKL1250 ATOM 1145 HA SER 72 6.839 6.323 -15.712 1.00 12.06 1IKL1251 ATOM 1146 1HB SER 72 7.785 5.199 -13.074 1.00 12.07 1IKL1252 ATOM 1147 2HB SER 72 6.175 5.889 -13.255 1.00 12.59 1IKL1253 ATOM 1148 HG SER 72 5.682 4.343 -14.737 1.00 12.42 1IKL1254 TER 1149 SER 72 1IKL1255 HETATM 1150 C CH3 25 0.402 -2.482 -8.098 1.00 0.23 1IKL1256 HETATM 1151 1HC CH3 25 0.375 -3.268 -8.833 1.00 1.02 1IKL1257 HETATM 1152 2HC CH3 25 -0.145 -1.624 -8.467 1.00 0.99 1IKL1258 HETATM 1153 3HC CH3 25 1.428 -2.196 -7.912 1.00 1.02 1IKL1259 CONECT 66 65 516 1IKL1260 CONECT 93 92 762 1IKL1261 CONECT 370 357 371 1150 1IKL1262 CONECT 516 66 515 1IKL1263 CONECT 762 93 761 1IKL1264 CONECT 1150 370 1151 1152 1153 1IKL1265 CONECT 1151 1150 1IKL1266 CONECT 1152 1150 1IKL1267 CONECT 1153 1150 1IKL1268 MASTER 63 0 1 1 3 0 0 6 1152 1 9 6 1IKL1269 END 1IKL1270