USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 58 ASN : amide:sc= 1.09 K(o=1.7,f=-5.3!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -173:sc= 0.623 (180deg=0.583) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= 0.653 F(o=-0.66,f=0.49) USER MOD Set 3.2: A 35 HIS : no HE2:sc= -0.159 K(o=0.49,f=-0.66) USER MOD Set 4.1: A 6 GLN :FLIP amide:sc= 0.511 F(o=-3.3,f=-2.3) USER MOD Set 4.2: A 13 CYS SG : rot 21:sc= -2.79! USER MOD Single : A 3 LYS NZ :NH3+ -110:sc= 0.611 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.421 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= -1.91 (180deg=-2.06) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -40:sc= 0.00794 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 40 ASN : amide:sc=-0.00801 K(o=-0.008,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.867 (180deg=0.736) USER MOD Single : A 44 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 THR OG1 : rot -64:sc= 1.21 USER MOD Single : A 54 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.381 (180deg=-1.06) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -0.0506 (180deg=-1.19) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.0718 F(o=-1,f=0.072) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.432 (180deg=0.396) USER MOD Single : A 86 SER OG : rot 78:sc= 1.11 USER MOD Single : A 87 SER OG : rot 79:sc= 0.619 USER MOD Single : A 90 MET CE :methyl -119:sc= -0.625 (180deg=-3.45!) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0572) USER MOD Single : A 99 MET CE :methyl 145:sc= -0.288 (180deg=-1.76) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 90:sc= 0.126 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc=-0.00681 (180deg=-0.142) USER MOD Single : A 111 GLN : amide:sc= 0.278 X(o=0.28,f=-0.013) USER MOD Single : A 112 TYR OH : rot 69:sc= 0.535 USER MOD Single : A 113 LYS NZ :NH3+ -171:sc= 0.532 (180deg=0.49) USER MOD Single : A 115 THR OG1 : rot 86:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.184 -1.019 -2.830 1.00 0.00 N ATOM 19 CA ILE A 2 5.325 -1.940 -2.736 1.00 0.00 C ATOM 20 C ILE A 2 5.980 -1.860 -1.346 1.00 0.00 C ATOM 21 O ILE A 2 6.254 -0.777 -0.850 1.00 0.00 O ATOM 22 CB ILE A 2 6.411 -1.628 -3.837 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.772 -1.609 -5.261 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.588 -2.643 -3.774 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.740 -1.253 -6.375 1.00 0.00 C ATOM 0 HA ILE A 2 4.938 -2.946 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 2 6.814 -0.637 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.344 -2.590 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.949 -0.894 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.319 -2.401 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.063 -2.589 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.208 -3.651 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.215 -1.263 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.150 -0.259 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.551 -1.981 -6.399 1.00 0.00 H new ATOM 37 N LYS A 3 6.188 -3.018 -0.724 1.00 0.00 N ATOM 38 CA LYS A 3 7.015 -3.154 0.481 1.00 0.00 C ATOM 39 C LYS A 3 8.483 -3.233 0.050 1.00 0.00 C ATOM 40 O LYS A 3 9.027 -4.323 -0.178 1.00 0.00 O ATOM 41 CB LYS A 3 6.581 -4.421 1.266 1.00 0.00 C ATOM 42 CG LYS A 3 5.095 -4.416 1.667 1.00 0.00 C ATOM 43 CD LYS A 3 4.782 -3.322 2.703 1.00 0.00 C ATOM 44 CE LYS A 3 3.287 -3.190 3.023 1.00 0.00 C ATOM 45 NZ LYS A 3 3.055 -2.167 4.078 1.00 0.00 N ATOM 0 H LYS A 3 5.785 -3.899 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 3 6.887 -2.296 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.782 -5.302 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.191 -4.509 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.481 -4.262 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.826 -5.390 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.324 -3.539 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.152 -2.366 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.741 -2.916 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.896 -4.152 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.752 -2.636 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.936 -1.642 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.315 -1.507 3.765 1.00 0.00 H new ATOM 59 N PHE A 4 9.092 -2.057 -0.143 1.00 0.00 N ATOM 60 CA PHE A 4 10.470 -1.947 -0.628 1.00 0.00 C ATOM 61 C PHE A 4 11.427 -2.005 0.567 1.00 0.00 C ATOM 62 O PHE A 4 11.634 -1.009 1.266 1.00 0.00 O ATOM 63 CB PHE A 4 10.667 -0.648 -1.461 1.00 0.00 C ATOM 64 CG PHE A 4 12.112 -0.431 -1.923 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.695 -1.289 -2.857 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.893 0.599 -1.400 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.009 -1.124 -3.248 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.208 0.757 -1.787 1.00 0.00 C ATOM 69 CZ PHE A 4 14.763 -0.099 -2.714 1.00 0.00 C ATOM 0 H PHE A 4 8.643 -1.158 0.033 1.00 0.00 H new ATOM 0 HA PHE A 4 10.689 -2.782 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.016 -0.684 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.352 0.208 -0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.110 -2.093 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.463 1.282 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.446 -1.797 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.803 1.552 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.789 0.033 -3.023 1.00 0.00 H new ATOM 79 N TYR A 5 11.970 -3.189 0.820 1.00 0.00 N ATOM 80 CA TYR A 5 12.976 -3.372 1.855 1.00 0.00 C ATOM 81 C TYR A 5 14.336 -2.865 1.338 1.00 0.00 C ATOM 82 O TYR A 5 14.703 -3.091 0.174 1.00 0.00 O ATOM 83 CB TYR A 5 13.034 -4.841 2.307 1.00 0.00 C ATOM 84 CG TYR A 5 11.760 -5.319 3.041 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.598 -5.628 2.336 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.730 -5.471 4.431 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.464 -6.077 2.977 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.589 -5.915 5.077 1.00 0.00 C ATOM 89 CZ TYR A 5 9.460 -6.221 4.341 1.00 0.00 C ATOM 90 OH TYR A 5 8.320 -6.683 4.970 1.00 0.00 O ATOM 0 H TYR A 5 11.727 -4.043 0.317 1.00 0.00 H new ATOM 0 HA TYR A 5 12.708 -2.787 2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.198 -5.474 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.893 -4.975 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.586 -5.513 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.612 -5.238 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.579 -6.315 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.581 -6.022 6.152 1.00 0.00 H new ATOM 0 HH TYR A 5 7.832 -7.280 4.365 1.00 0.00 H new ATOM 100 N GLN A 6 15.040 -2.152 2.216 1.00 0.00 N ATOM 101 CA GLN A 6 16.314 -1.476 1.920 1.00 0.00 C ATOM 102 C GLN A 6 17.134 -1.383 3.210 1.00 0.00 C ATOM 103 O GLN A 6 16.702 -1.898 4.236 1.00 0.00 O ATOM 104 CB GLN A 6 16.023 -0.064 1.315 1.00 0.00 C ATOM 105 CG GLN A 6 15.052 0.845 2.134 1.00 0.00 C ATOM 106 CD GLN A 6 15.659 1.538 3.370 1.00 0.00 C ATOM 107 OE1 GLN A 6 14.859 1.741 4.405 1.00 0.00 O flip ATOM 108 NE2 GLN A 6 16.839 1.886 3.397 1.00 0.00 N flip ATOM 0 H GLN A 6 14.736 -2.022 3.181 1.00 0.00 H new ATOM 0 HA GLN A 6 16.890 -2.040 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 6 16.971 0.462 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.608 -0.197 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.656 1.613 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.207 0.239 2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.438 1.720 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.218 2.340 4.228 1.00 0.00 H new ATOM 117 N TYR A 7 18.310 -0.731 3.167 1.00 0.00 N ATOM 118 CA TYR A 7 19.030 -0.345 4.395 1.00 0.00 C ATOM 119 C TYR A 7 20.111 0.704 4.088 1.00 0.00 C ATOM 120 O TYR A 7 20.937 0.500 3.185 1.00 0.00 O ATOM 121 CB TYR A 7 19.655 -1.570 5.128 1.00 0.00 C ATOM 122 CG TYR A 7 20.026 -1.271 6.596 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.027 -0.936 7.517 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.345 -1.311 7.056 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.327 -0.656 8.837 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.648 -1.033 8.378 1.00 0.00 C ATOM 127 CZ TYR A 7 20.638 -0.706 9.262 1.00 0.00 C ATOM 128 OH TYR A 7 20.941 -0.443 10.581 1.00 0.00 O ATOM 0 H TYR A 7 18.779 -0.462 2.302 1.00 0.00 H new ATOM 0 HA TYR A 7 18.292 0.092 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.951 -2.401 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.548 -1.890 4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.999 -0.895 7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.140 -1.563 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.540 -0.400 9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.672 -1.072 8.718 1.00 0.00 H new ATOM 0 HH TYR A 7 21.908 -0.521 10.716 1.00 0.00 H new ATOM 213 N CYS A 13 20.152 0.470 -2.378 1.00 0.00 N ATOM 214 CA CYS A 13 19.002 1.004 -1.620 1.00 0.00 C ATOM 215 C CYS A 13 18.400 2.271 -2.267 1.00 0.00 C ATOM 216 O CYS A 13 17.257 2.255 -2.752 1.00 0.00 O ATOM 217 CB CYS A 13 19.462 1.315 -0.171 1.00 0.00 C ATOM 218 SG CYS A 13 18.309 2.319 0.792 1.00 0.00 S ATOM 0 HA CYS A 13 18.216 0.248 -1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.627 0.373 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.422 1.829 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 13 17.122 2.238 0.269 1.00 0.00 H new ATOM 224 N LYS A 14 19.211 3.337 -2.326 1.00 0.00 N ATOM 225 CA LYS A 14 18.767 4.660 -2.789 1.00 0.00 C ATOM 226 C LYS A 14 18.532 4.698 -4.312 1.00 0.00 C ATOM 227 O LYS A 14 17.679 5.454 -4.776 1.00 0.00 O ATOM 228 CB LYS A 14 19.799 5.735 -2.367 1.00 0.00 C ATOM 229 CG LYS A 14 19.926 5.939 -0.836 1.00 0.00 C ATOM 230 CD LYS A 14 18.657 6.539 -0.191 1.00 0.00 C ATOM 231 CE LYS A 14 18.326 7.939 -0.737 1.00 0.00 C ATOM 232 NZ LYS A 14 17.108 8.507 -0.115 1.00 0.00 N ATOM 0 H LYS A 14 20.194 3.306 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 14 17.807 4.873 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.775 5.460 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.523 6.685 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.145 4.980 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.773 6.595 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.813 5.873 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.794 6.596 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.169 8.606 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.188 7.883 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.923 9.450 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.297 7.885 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.247 8.586 0.913 1.00 0.00 H new ATOM 246 N LYS A 15 19.288 3.885 -5.075 1.00 0.00 N ATOM 247 CA LYS A 15 19.192 3.852 -6.553 1.00 0.00 C ATOM 248 C LYS A 15 17.906 3.135 -7.017 1.00 0.00 C ATOM 249 O LYS A 15 17.235 3.586 -7.949 1.00 0.00 O ATOM 250 CB LYS A 15 20.449 3.179 -7.159 1.00 0.00 C ATOM 251 CG LYS A 15 21.762 3.964 -6.910 1.00 0.00 C ATOM 252 CD LYS A 15 22.995 3.319 -7.590 1.00 0.00 C ATOM 253 CE LYS A 15 23.300 1.912 -7.057 1.00 0.00 C ATOM 254 NZ LYS A 15 24.494 1.314 -7.706 1.00 0.00 N ATOM 0 H LYS A 15 19.977 3.237 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 15 19.141 4.880 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.551 2.178 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.305 3.062 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.644 4.983 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.940 4.031 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.825 3.266 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.865 3.958 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.460 1.960 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.437 1.267 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.662 0.365 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 24.333 1.243 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 25.324 1.914 -7.526 1.00 0.00 H new ATOM 268 N ALA A 16 17.571 2.027 -6.340 1.00 0.00 N ATOM 269 CA ALA A 16 16.366 1.224 -6.636 1.00 0.00 C ATOM 270 C ALA A 16 15.103 1.985 -6.212 1.00 0.00 C ATOM 271 O ALA A 16 14.077 1.951 -6.905 1.00 0.00 O ATOM 272 CB ALA A 16 16.448 -0.137 -5.933 1.00 0.00 C ATOM 0 H ALA A 16 18.127 1.658 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 16 16.314 1.049 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.554 -0.718 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.329 -0.675 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.519 0.014 -4.856 1.00 0.00 H new ATOM 278 N ALA A 17 15.216 2.686 -5.069 1.00 0.00 N ATOM 279 CA ALA A 17 14.163 3.573 -4.554 1.00 0.00 C ATOM 280 C ALA A 17 13.910 4.747 -5.518 1.00 0.00 C ATOM 281 O ALA A 17 12.764 5.103 -5.777 1.00 0.00 O ATOM 282 CB ALA A 17 14.553 4.095 -3.168 1.00 0.00 C ATOM 0 H ALA A 17 16.045 2.651 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 17 13.239 3.001 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.768 4.752 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.681 3.255 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.488 4.651 -3.238 1.00 0.00 H new ATOM 288 N LYS A 18 15.011 5.321 -6.044 1.00 0.00 N ATOM 289 CA LYS A 18 14.984 6.445 -7.007 1.00 0.00 C ATOM 290 C LYS A 18 14.381 6.001 -8.354 1.00 0.00 C ATOM 291 O LYS A 18 13.709 6.778 -9.011 1.00 0.00 O ATOM 292 CB LYS A 18 16.427 7.000 -7.208 1.00 0.00 C ATOM 293 CG LYS A 18 16.632 8.155 -8.239 1.00 0.00 C ATOM 294 CD LYS A 18 15.987 9.526 -7.848 1.00 0.00 C ATOM 295 CE LYS A 18 14.574 9.745 -8.439 1.00 0.00 C ATOM 296 NZ LYS A 18 14.578 9.694 -9.924 1.00 0.00 N ATOM 0 H LYS A 18 15.956 5.015 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 18 14.352 7.236 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.788 7.348 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 17.066 6.169 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.702 8.304 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.221 7.840 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.930 9.593 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.639 10.332 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.897 8.983 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.189 10.710 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.635 9.946 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.279 10.368 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.823 8.733 -10.238 1.00 0.00 H new ATOM 310 N PHE A 19 14.636 4.742 -8.740 1.00 0.00 N ATOM 311 CA PHE A 19 14.131 4.159 -10.000 1.00 0.00 C ATOM 312 C PHE A 19 12.590 4.005 -9.936 1.00 0.00 C ATOM 313 O PHE A 19 11.857 4.438 -10.843 1.00 0.00 O ATOM 314 CB PHE A 19 14.841 2.800 -10.246 1.00 0.00 C ATOM 315 CG PHE A 19 14.685 2.234 -11.657 1.00 0.00 C ATOM 316 CD1 PHE A 19 15.114 2.968 -12.763 1.00 0.00 C ATOM 317 CD2 PHE A 19 14.146 0.971 -11.875 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.999 2.457 -14.040 1.00 0.00 C ATOM 319 CE2 PHE A 19 14.031 0.463 -13.152 1.00 0.00 C ATOM 320 CZ PHE A 19 14.456 1.204 -14.234 1.00 0.00 C ATOM 0 H PHE A 19 15.199 4.095 -8.188 1.00 0.00 H new ATOM 0 HA PHE A 19 14.353 4.820 -10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.904 2.919 -10.034 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.454 2.071 -9.534 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.542 3.949 -12.618 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.813 0.381 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.334 3.038 -14.887 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.607 -0.518 -13.305 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.364 0.804 -15.233 1.00 0.00 H new ATOM 330 N LEU A 20 12.127 3.432 -8.809 1.00 0.00 N ATOM 331 CA LEU A 20 10.693 3.302 -8.481 1.00 0.00 C ATOM 332 C LEU A 20 10.019 4.688 -8.374 1.00 0.00 C ATOM 333 O LEU A 20 8.895 4.877 -8.844 1.00 0.00 O ATOM 334 CB LEU A 20 10.531 2.496 -7.155 1.00 0.00 C ATOM 335 CG LEU A 20 10.765 0.954 -7.269 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.781 0.273 -5.879 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.696 0.314 -8.184 1.00 0.00 C ATOM 0 H LEU A 20 12.742 3.043 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 20 10.195 2.761 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.228 2.898 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.526 2.665 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 20 11.746 0.798 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.946 -0.798 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.583 0.698 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.825 0.439 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.872 -0.759 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.705 0.493 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.756 0.757 -9.178 1.00 0.00 H new ATOM 349 N ASP A 21 10.745 5.652 -7.783 1.00 0.00 N ATOM 350 CA ASP A 21 10.254 7.030 -7.585 1.00 0.00 C ATOM 351 C ASP A 21 10.178 7.794 -8.915 1.00 0.00 C ATOM 352 O ASP A 21 9.274 8.608 -9.121 1.00 0.00 O ATOM 353 CB ASP A 21 11.169 7.790 -6.591 1.00 0.00 C ATOM 354 CG ASP A 21 10.680 9.218 -6.278 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.601 9.355 -5.663 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.358 10.201 -6.650 1.00 0.00 O ATOM 0 H ASP A 21 11.689 5.500 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 21 9.247 6.967 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.233 7.224 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.177 7.841 -7.003 1.00 0.00 H new ATOM 361 N GLU A 22 11.131 7.497 -9.810 1.00 0.00 N ATOM 362 CA GLU A 22 11.240 8.138 -11.135 1.00 0.00 C ATOM 363 C GLU A 22 10.052 7.745 -12.016 1.00 0.00 C ATOM 364 O GLU A 22 9.474 8.581 -12.723 1.00 0.00 O ATOM 365 CB GLU A 22 12.583 7.733 -11.792 1.00 0.00 C ATOM 366 CG GLU A 22 12.802 8.241 -13.231 1.00 0.00 C ATOM 367 CD GLU A 22 14.233 8.008 -13.731 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.518 6.912 -14.267 1.00 0.00 O ATOM 369 OE2 GLU A 22 15.089 8.901 -13.541 1.00 0.00 O ATOM 0 H GLU A 22 11.855 6.800 -9.636 1.00 0.00 H new ATOM 0 HA GLU A 22 11.221 9.222 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.397 8.101 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.651 6.645 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.102 7.739 -13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.576 9.306 -13.274 1.00 0.00 H new ATOM 376 N TYR A 23 9.681 6.462 -11.933 1.00 0.00 N ATOM 377 CA TYR A 23 8.510 5.916 -12.641 1.00 0.00 C ATOM 378 C TYR A 23 7.182 6.201 -11.887 1.00 0.00 C ATOM 379 O TYR A 23 6.115 5.787 -12.344 1.00 0.00 O ATOM 380 CB TYR A 23 8.719 4.402 -12.888 1.00 0.00 C ATOM 381 CG TYR A 23 9.731 4.085 -14.012 1.00 0.00 C ATOM 382 CD1 TYR A 23 11.078 4.444 -13.904 1.00 0.00 C ATOM 383 CD2 TYR A 23 9.333 3.423 -15.178 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.976 4.163 -14.912 1.00 0.00 C ATOM 385 CE2 TYR A 23 10.228 3.136 -16.185 1.00 0.00 C ATOM 386 CZ TYR A 23 11.550 3.505 -16.046 1.00 0.00 C ATOM 387 OH TYR A 23 12.448 3.216 -17.048 1.00 0.00 O ATOM 0 H TYR A 23 10.182 5.771 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 23 8.421 6.421 -13.603 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.060 3.937 -11.963 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.760 3.949 -13.138 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.422 4.951 -13.014 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.300 3.130 -15.291 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.010 4.458 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.897 2.626 -17.077 1.00 0.00 H new ATOM 0 HH TYR A 23 11.987 2.749 -17.776 1.00 0.00 H new ATOM 397 N GLY A 24 7.267 6.904 -10.736 1.00 0.00 N ATOM 398 CA GLY A 24 6.086 7.391 -10.002 1.00 0.00 C ATOM 399 C GLY A 24 5.300 6.296 -9.284 1.00 0.00 C ATOM 400 O GLY A 24 4.101 6.454 -9.020 1.00 0.00 O ATOM 0 H GLY A 24 8.154 7.147 -10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.407 8.132 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.422 7.900 -10.701 1.00 0.00 H new ATOM 404 N VAL A 25 5.982 5.187 -8.978 1.00 0.00 N ATOM 405 CA VAL A 25 5.388 4.020 -8.307 1.00 0.00 C ATOM 406 C VAL A 25 5.512 4.178 -6.781 1.00 0.00 C ATOM 407 O VAL A 25 6.596 4.513 -6.279 1.00 0.00 O ATOM 408 CB VAL A 25 6.081 2.691 -8.786 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.377 1.444 -8.212 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.137 2.626 -10.332 1.00 0.00 C ATOM 0 H VAL A 25 6.973 5.071 -9.191 1.00 0.00 H new ATOM 0 HA VAL A 25 4.332 3.962 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 25 7.102 2.698 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.884 0.546 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.411 1.476 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.338 1.428 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.620 1.699 -10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.125 2.659 -10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.706 3.475 -10.711 1.00 0.00 H new ATOM 420 N SER A 26 4.397 3.959 -6.056 1.00 0.00 N ATOM 421 CA SER A 26 4.360 4.078 -4.592 1.00 0.00 C ATOM 422 C SER A 26 5.039 2.865 -3.938 1.00 0.00 C ATOM 423 O SER A 26 4.475 1.767 -3.884 1.00 0.00 O ATOM 424 CB SER A 26 2.910 4.221 -4.089 1.00 0.00 C ATOM 425 OG SER A 26 2.263 5.341 -4.678 1.00 0.00 O ATOM 0 H SER A 26 3.503 3.696 -6.470 1.00 0.00 H new ATOM 0 HA SER A 26 4.907 4.977 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.352 3.314 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.909 4.328 -3.004 1.00 0.00 H new ATOM 0 HG SER A 26 1.345 5.403 -4.340 1.00 0.00 H new ATOM 431 N TYR A 27 6.272 3.072 -3.491 1.00 0.00 N ATOM 432 CA TYR A 27 7.038 2.081 -2.724 1.00 0.00 C ATOM 433 C TYR A 27 7.030 2.492 -1.241 1.00 0.00 C ATOM 434 O TYR A 27 6.641 3.611 -0.906 1.00 0.00 O ATOM 435 CB TYR A 27 8.491 1.961 -3.277 1.00 0.00 C ATOM 436 CG TYR A 27 9.339 3.249 -3.190 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.168 4.288 -4.111 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.293 3.431 -2.183 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.904 5.447 -4.026 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.034 4.594 -2.102 1.00 0.00 C ATOM 441 CZ TYR A 27 10.833 5.599 -3.026 1.00 0.00 C ATOM 442 OH TYR A 27 11.561 6.766 -2.944 1.00 0.00 O ATOM 0 H TYR A 27 6.780 3.942 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 27 6.578 1.098 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.005 1.170 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.440 1.649 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.444 4.178 -4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.453 2.648 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.751 6.238 -4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.768 4.716 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 27 12.174 6.716 -2.181 1.00 0.00 H new ATOM 452 N GLU A 28 7.454 1.583 -0.363 1.00 0.00 N ATOM 453 CA GLU A 28 7.593 1.839 1.075 1.00 0.00 C ATOM 454 C GLU A 28 9.021 1.454 1.478 1.00 0.00 C ATOM 455 O GLU A 28 9.295 0.259 1.596 1.00 0.00 O ATOM 456 CB GLU A 28 6.547 1.029 1.901 1.00 0.00 C ATOM 457 CG GLU A 28 6.734 1.153 3.428 1.00 0.00 C ATOM 458 CD GLU A 28 5.635 0.470 4.253 1.00 0.00 C ATOM 459 OE1 GLU A 28 5.690 -0.760 4.433 1.00 0.00 O ATOM 460 OE2 GLU A 28 4.706 1.157 4.728 1.00 0.00 O ATOM 0 H GLU A 28 7.715 0.634 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 28 7.408 2.893 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.546 1.370 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.610 -0.022 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.698 0.723 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.769 2.209 3.694 1.00 0.00 H new ATOM 467 N PRO A 29 9.963 2.442 1.644 1.00 0.00 N ATOM 468 CA PRO A 29 11.364 2.152 1.988 1.00 0.00 C ATOM 469 C PRO A 29 11.529 1.793 3.484 1.00 0.00 C ATOM 470 O PRO A 29 11.851 2.639 4.324 1.00 0.00 O ATOM 471 CB PRO A 29 12.099 3.456 1.583 1.00 0.00 C ATOM 472 CG PRO A 29 11.086 4.542 1.787 1.00 0.00 C ATOM 473 CD PRO A 29 9.726 3.913 1.514 1.00 0.00 C ATOM 0 HA PRO A 29 11.767 1.278 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.984 3.619 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.434 3.416 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.136 4.935 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.271 5.378 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.978 4.259 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.362 4.170 0.519 1.00 0.00 H new ATOM 481 N ILE A 30 11.268 0.519 3.804 1.00 0.00 N ATOM 482 CA ILE A 30 11.390 -0.027 5.171 1.00 0.00 C ATOM 483 C ILE A 30 12.724 -0.774 5.315 1.00 0.00 C ATOM 484 O ILE A 30 13.133 -1.504 4.416 1.00 0.00 O ATOM 485 CB ILE A 30 10.162 -0.960 5.552 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.744 -1.876 4.346 1.00 0.00 C ATOM 487 CG2 ILE A 30 8.967 -0.114 6.067 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.534 -2.763 4.591 1.00 0.00 C ATOM 0 H ILE A 30 10.963 -0.172 3.118 1.00 0.00 H new ATOM 0 HA ILE A 30 11.375 0.807 5.872 1.00 0.00 H new ATOM 0 HB ILE A 30 10.477 -1.618 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.540 -1.242 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.591 -2.510 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.137 -0.773 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.271 0.445 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.652 0.582 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.329 -3.354 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.735 -3.430 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.668 -2.142 4.821 1.00 0.00 H new ATOM 500 N ASP A 31 13.405 -0.549 6.446 1.00 0.00 N ATOM 501 CA ASP A 31 14.732 -1.129 6.723 1.00 0.00 C ATOM 502 C ASP A 31 14.627 -2.653 6.902 1.00 0.00 C ATOM 503 O ASP A 31 13.806 -3.122 7.672 1.00 0.00 O ATOM 504 CB ASP A 31 15.336 -0.484 7.986 1.00 0.00 C ATOM 505 CG ASP A 31 15.495 1.040 7.855 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.521 1.772 8.153 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.575 1.505 7.428 1.00 0.00 O ATOM 0 H ASP A 31 13.053 0.042 7.199 1.00 0.00 H new ATOM 0 HA ASP A 31 15.386 -0.926 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.700 -0.707 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.310 -0.931 8.187 1.00 0.00 H new ATOM 512 N ILE A 32 15.501 -3.397 6.219 1.00 0.00 N ATOM 513 CA ILE A 32 15.425 -4.866 6.112 1.00 0.00 C ATOM 514 C ILE A 32 15.707 -5.553 7.466 1.00 0.00 C ATOM 515 O ILE A 32 15.129 -6.594 7.767 1.00 0.00 O ATOM 516 CB ILE A 32 16.428 -5.394 5.014 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.255 -6.927 4.734 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.892 -5.060 5.382 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.969 -7.306 4.027 1.00 0.00 C ATOM 0 H ILE A 32 16.293 -2.996 5.717 1.00 0.00 H new ATOM 0 HA ILE A 32 14.407 -5.119 5.815 1.00 0.00 H new ATOM 0 HB ILE A 32 16.182 -4.871 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.097 -7.269 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.302 -7.462 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.557 -5.437 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.009 -3.980 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.144 -5.527 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.940 -8.385 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.117 -7.001 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.924 -6.805 3.060 1.00 0.00 H new ATOM 531 N VAL A 33 16.600 -4.951 8.275 1.00 0.00 N ATOM 532 CA VAL A 33 17.045 -5.535 9.563 1.00 0.00 C ATOM 533 C VAL A 33 16.301 -4.907 10.760 1.00 0.00 C ATOM 534 O VAL A 33 16.176 -5.537 11.813 1.00 0.00 O ATOM 535 CB VAL A 33 18.605 -5.422 9.741 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.061 -3.968 9.946 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.133 -6.350 10.866 1.00 0.00 C ATOM 0 H VAL A 33 17.033 -4.053 8.060 1.00 0.00 H new ATOM 0 HA VAL A 33 16.792 -6.595 9.539 1.00 0.00 H new ATOM 0 HB VAL A 33 19.048 -5.767 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.144 -3.940 10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.775 -3.371 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.588 -3.561 10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.214 -6.238 10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.663 -6.079 11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.893 -7.386 10.626 1.00 0.00 H new ATOM 547 N GLN A 34 15.805 -3.672 10.593 1.00 0.00 N ATOM 548 CA GLN A 34 15.045 -2.961 11.645 1.00 0.00 C ATOM 549 C GLN A 34 13.549 -3.360 11.588 1.00 0.00 C ATOM 550 O GLN A 34 12.842 -3.344 12.598 1.00 0.00 O ATOM 551 CB GLN A 34 15.210 -1.431 11.460 1.00 0.00 C ATOM 552 CG GLN A 34 14.660 -0.563 12.607 1.00 0.00 C ATOM 553 CD GLN A 34 14.616 0.927 12.258 1.00 0.00 C ATOM 554 OE1 GLN A 34 15.685 1.658 12.550 1.00 0.00 O flip ATOM 555 NE2 GLN A 34 13.623 1.415 11.721 1.00 0.00 N flip ATOM 0 H GLN A 34 15.916 -3.136 9.732 1.00 0.00 H new ATOM 0 HA GLN A 34 15.435 -3.242 12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.270 -1.210 11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.713 -1.138 10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.656 -0.901 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.279 -0.705 13.493 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.817 0.827 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.606 2.408 11.487 1.00 0.00 H new ATOM 564 N HIS A 35 13.091 -3.719 10.377 1.00 0.00 N ATOM 565 CA HIS A 35 11.689 -4.093 10.087 1.00 0.00 C ATOM 566 C HIS A 35 11.656 -5.518 9.491 1.00 0.00 C ATOM 567 O HIS A 35 10.885 -5.789 8.564 1.00 0.00 O ATOM 568 CB HIS A 35 11.061 -3.067 9.083 1.00 0.00 C ATOM 569 CG HIS A 35 10.956 -1.643 9.581 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.769 -1.062 9.971 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.899 -0.680 9.734 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.988 0.181 10.341 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.272 0.438 10.209 1.00 0.00 N ATOM 0 H HIS A 35 13.693 -3.759 9.554 1.00 0.00 H new ATOM 0 HA HIS A 35 11.106 -4.077 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.656 -3.070 8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.063 -3.413 8.815 1.00 0.00 H new ATOM 0 HD1 HIS A 35 8.860 -1.525 9.973 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.953 -0.779 9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.239 0.875 10.694 1.00 0.00 H new ATOM 582 N THR A 36 12.480 -6.432 10.049 1.00 0.00 N ATOM 583 CA THR A 36 12.596 -7.812 9.539 1.00 0.00 C ATOM 584 C THR A 36 11.283 -8.596 9.771 1.00 0.00 C ATOM 585 O THR A 36 10.845 -8.707 10.925 1.00 0.00 O ATOM 586 CB THR A 36 13.773 -8.588 10.210 1.00 0.00 C ATOM 587 OG1 THR A 36 14.892 -7.723 10.369 1.00 0.00 O ATOM 588 CG2 THR A 36 14.209 -9.800 9.368 1.00 0.00 C ATOM 0 H THR A 36 13.075 -6.236 10.854 1.00 0.00 H new ATOM 0 HA THR A 36 12.796 -7.733 8.471 1.00 0.00 H new ATOM 0 HB THR A 36 13.420 -8.943 11.178 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.980 -7.153 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.030 -10.314 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.369 -10.484 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.538 -9.461 8.386 1.00 0.00 H new ATOM 596 N PRO A 37 10.632 -9.134 8.685 1.00 0.00 N ATOM 597 CA PRO A 37 9.383 -9.929 8.802 1.00 0.00 C ATOM 598 C PRO A 37 9.564 -11.215 9.636 1.00 0.00 C ATOM 599 O PRO A 37 10.692 -11.696 9.822 1.00 0.00 O ATOM 600 CB PRO A 37 9.020 -10.273 7.327 1.00 0.00 C ATOM 601 CG PRO A 37 9.772 -9.276 6.506 1.00 0.00 C ATOM 602 CD PRO A 37 11.047 -9.000 7.264 1.00 0.00 C ATOM 0 HA PRO A 37 8.604 -9.372 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.311 -11.293 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.946 -10.197 7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.985 -9.669 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.192 -8.363 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.832 -9.711 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.435 -8.004 7.050 1.00 0.00 H new ATOM 610 N THR A 38 8.441 -11.753 10.136 1.00 0.00 N ATOM 611 CA THR A 38 8.412 -13.043 10.844 1.00 0.00 C ATOM 612 C THR A 38 8.421 -14.207 9.834 1.00 0.00 C ATOM 613 O THR A 38 8.273 -13.992 8.625 1.00 0.00 O ATOM 614 CB THR A 38 7.153 -13.157 11.774 1.00 0.00 C ATOM 615 OG1 THR A 38 5.945 -13.035 10.999 1.00 0.00 O ATOM 616 CG2 THR A 38 7.165 -12.086 12.876 1.00 0.00 C ATOM 0 H THR A 38 7.527 -11.306 10.061 1.00 0.00 H new ATOM 0 HA THR A 38 9.304 -13.099 11.468 1.00 0.00 H new ATOM 0 HB THR A 38 7.186 -14.138 12.249 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.168 -13.110 11.591 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.278 -12.196 13.500 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.058 -12.206 13.490 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.168 -11.096 12.421 1.00 0.00 H new ATOM 624 N ILE A 39 8.592 -15.432 10.359 1.00 0.00 N ATOM 625 CA ILE A 39 8.552 -16.691 9.578 1.00 0.00 C ATOM 626 C ILE A 39 7.224 -16.805 8.802 1.00 0.00 C ATOM 627 O ILE A 39 7.206 -17.243 7.652 1.00 0.00 O ATOM 628 CB ILE A 39 8.719 -17.919 10.553 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.077 -17.812 11.326 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.597 -19.285 9.824 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.213 -18.766 12.495 1.00 0.00 C ATOM 0 H ILE A 39 8.765 -15.583 11.353 1.00 0.00 H new ATOM 0 HA ILE A 39 9.370 -16.687 8.857 1.00 0.00 H new ATOM 0 HB ILE A 39 7.897 -17.880 11.268 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.893 -17.995 10.627 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.193 -16.792 11.691 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.720 -20.094 10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.615 -19.362 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.370 -19.359 9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.183 -18.622 12.971 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.421 -18.570 13.218 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.133 -19.793 12.138 1.00 0.00 H new ATOM 643 N ASN A 40 6.131 -16.370 9.462 1.00 0.00 N ATOM 644 CA ASN A 40 4.774 -16.351 8.887 1.00 0.00 C ATOM 645 C ASN A 40 4.686 -15.383 7.693 1.00 0.00 C ATOM 646 O ASN A 40 4.218 -15.769 6.623 1.00 0.00 O ATOM 647 CB ASN A 40 3.716 -15.962 9.963 1.00 0.00 C ATOM 648 CG ASN A 40 3.537 -17.002 11.077 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.469 -17.721 11.446 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.330 -17.087 11.628 1.00 0.00 N ATOM 0 H ASN A 40 6.168 -16.019 10.419 1.00 0.00 H new ATOM 0 HA ASN A 40 4.559 -17.359 8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.004 -15.012 10.412 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.756 -15.804 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.157 -17.759 12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.577 -16.480 11.303 1.00 0.00 H new ATOM 657 N GLU A 41 5.152 -14.128 7.890 1.00 0.00 N ATOM 658 CA GLU A 41 5.096 -13.078 6.841 1.00 0.00 C ATOM 659 C GLU A 41 5.916 -13.489 5.605 1.00 0.00 C ATOM 660 O GLU A 41 5.468 -13.319 4.458 1.00 0.00 O ATOM 661 CB GLU A 41 5.605 -11.717 7.385 1.00 0.00 C ATOM 662 CG GLU A 41 4.825 -11.154 8.588 1.00 0.00 C ATOM 663 CD GLU A 41 3.319 -11.008 8.329 1.00 0.00 C ATOM 664 OE1 GLU A 41 2.914 -10.042 7.647 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.536 -11.867 8.789 1.00 0.00 O ATOM 0 H GLU A 41 5.572 -13.816 8.766 1.00 0.00 H new ATOM 0 HA GLU A 41 4.053 -12.966 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.651 -11.827 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.571 -10.986 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.976 -11.808 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.236 -10.180 8.853 1.00 0.00 H new ATOM 672 N PHE A 42 7.111 -14.053 5.865 1.00 0.00 N ATOM 673 CA PHE A 42 7.989 -14.574 4.818 1.00 0.00 C ATOM 674 C PHE A 42 7.275 -15.696 4.024 1.00 0.00 C ATOM 675 O PHE A 42 7.043 -15.536 2.835 1.00 0.00 O ATOM 676 CB PHE A 42 9.342 -15.076 5.397 1.00 0.00 C ATOM 677 CG PHE A 42 10.426 -14.006 5.578 1.00 0.00 C ATOM 678 CD1 PHE A 42 10.921 -13.307 4.471 1.00 0.00 C ATOM 679 CD2 PHE A 42 10.974 -13.726 6.828 1.00 0.00 C ATOM 680 CE1 PHE A 42 11.922 -12.360 4.617 1.00 0.00 C ATOM 681 CE2 PHE A 42 11.978 -12.784 6.969 1.00 0.00 C ATOM 682 CZ PHE A 42 12.452 -12.102 5.865 1.00 0.00 C ATOM 0 H PHE A 42 7.488 -14.157 6.807 1.00 0.00 H new ATOM 0 HA PHE A 42 8.216 -13.755 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.152 -15.542 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.731 -15.854 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.517 -13.508 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.610 -14.251 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.288 -11.824 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.392 -12.581 7.946 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.236 -11.368 5.978 1.00 0.00 H new ATOM 692 N LYS A 43 6.879 -16.804 4.688 1.00 0.00 N ATOM 693 CA LYS A 43 6.277 -17.974 3.983 1.00 0.00 C ATOM 694 C LYS A 43 4.976 -17.598 3.242 1.00 0.00 C ATOM 695 O LYS A 43 4.626 -18.236 2.246 1.00 0.00 O ATOM 696 CB LYS A 43 6.019 -19.169 4.936 1.00 0.00 C ATOM 697 CG LYS A 43 5.010 -18.907 6.070 1.00 0.00 C ATOM 698 CD LYS A 43 4.663 -20.177 6.880 1.00 0.00 C ATOM 699 CE LYS A 43 5.889 -20.864 7.503 1.00 0.00 C ATOM 700 NZ LYS A 43 5.513 -22.069 8.285 1.00 0.00 N ATOM 0 H LYS A 43 6.961 -16.920 5.698 1.00 0.00 H new ATOM 0 HA LYS A 43 7.015 -18.286 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.663 -20.013 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.968 -19.469 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.418 -18.154 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.095 -18.493 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.963 -19.912 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.152 -20.885 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.586 -21.147 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.410 -20.159 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.366 -22.623 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.055 -21.778 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.854 -22.651 7.730 1.00 0.00 H new ATOM 714 N THR A 44 4.288 -16.549 3.730 1.00 0.00 N ATOM 715 CA THR A 44 3.100 -15.998 3.067 1.00 0.00 C ATOM 716 C THR A 44 3.485 -15.401 1.701 1.00 0.00 C ATOM 717 O THR A 44 2.983 -15.851 0.666 1.00 0.00 O ATOM 718 CB THR A 44 2.397 -14.925 3.970 1.00 0.00 C ATOM 719 OG1 THR A 44 1.908 -15.559 5.162 1.00 0.00 O ATOM 720 CG2 THR A 44 1.224 -14.214 3.265 1.00 0.00 C ATOM 0 H THR A 44 4.541 -16.064 4.591 1.00 0.00 H new ATOM 0 HA THR A 44 2.389 -16.808 2.904 1.00 0.00 H new ATOM 0 HB THR A 44 3.144 -14.165 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.624 -15.597 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.781 -13.484 3.943 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.590 -13.705 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.471 -14.949 2.980 1.00 0.00 H new ATOM 728 N ILE A 45 4.435 -14.438 1.705 1.00 0.00 N ATOM 729 CA ILE A 45 4.859 -13.744 0.471 1.00 0.00 C ATOM 730 C ILE A 45 5.563 -14.718 -0.505 1.00 0.00 C ATOM 731 O ILE A 45 5.481 -14.546 -1.698 1.00 0.00 O ATOM 732 CB ILE A 45 5.778 -12.485 0.759 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.192 -12.894 1.310 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.057 -11.493 1.716 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.130 -11.742 1.646 1.00 0.00 C ATOM 0 H ILE A 45 4.920 -14.126 2.546 1.00 0.00 H new ATOM 0 HA ILE A 45 3.948 -13.373 0.001 1.00 0.00 H new ATOM 0 HB ILE A 45 5.952 -11.980 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.051 -13.497 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.679 -13.531 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.702 -10.634 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.128 -11.156 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.836 -11.993 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.075 -12.139 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.312 -11.148 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.675 -11.114 2.412 1.00 0.00 H new ATOM 747 N ILE A 46 6.200 -15.770 0.029 1.00 0.00 N ATOM 748 CA ILE A 46 6.957 -16.767 -0.771 1.00 0.00 C ATOM 749 C ILE A 46 6.012 -17.784 -1.430 1.00 0.00 C ATOM 750 O ILE A 46 6.277 -18.253 -2.538 1.00 0.00 O ATOM 751 CB ILE A 46 8.035 -17.465 0.145 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.098 -16.406 0.576 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.724 -18.687 -0.523 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.849 -16.756 1.832 1.00 0.00 C ATOM 0 H ILE A 46 6.210 -15.962 1.031 1.00 0.00 H new ATOM 0 HA ILE A 46 7.476 -16.258 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 46 7.512 -17.861 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.813 -16.275 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.600 -15.447 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.452 -19.115 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.973 -19.438 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.230 -18.366 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.566 -15.967 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.147 -16.857 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.379 -17.698 1.689 1.00 0.00 H new ATOM 766 N ALA A 47 4.906 -18.110 -0.747 1.00 0.00 N ATOM 767 CA ALA A 47 3.862 -18.995 -1.302 1.00 0.00 C ATOM 768 C ALA A 47 3.008 -18.248 -2.348 1.00 0.00 C ATOM 769 O ALA A 47 2.582 -18.831 -3.348 1.00 0.00 O ATOM 770 CB ALA A 47 2.983 -19.546 -0.170 1.00 0.00 C ATOM 0 H ALA A 47 4.707 -17.774 0.195 1.00 0.00 H new ATOM 0 HA ALA A 47 4.346 -19.832 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.216 -20.197 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.600 -20.113 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.508 -18.719 0.357 1.00 0.00 H new ATOM 776 N ASN A 48 2.791 -16.945 -2.105 1.00 0.00 N ATOM 777 CA ASN A 48 1.935 -16.090 -2.953 1.00 0.00 C ATOM 778 C ASN A 48 2.661 -15.666 -4.243 1.00 0.00 C ATOM 779 O ASN A 48 2.114 -15.804 -5.341 1.00 0.00 O ATOM 780 CB ASN A 48 1.456 -14.846 -2.153 1.00 0.00 C ATOM 781 CG ASN A 48 0.375 -15.136 -1.094 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.390 -16.317 -0.484 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.470 -14.285 -0.815 1.00 0.00 N flip ATOM 0 H ASN A 48 3.204 -16.451 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 48 1.063 -16.673 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.317 -14.396 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.068 -14.107 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.465 -13.385 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.175 -14.480 -0.104 1.00 0.00 H new ATOM 790 N THR A 49 3.894 -15.148 -4.107 1.00 0.00 N ATOM 791 CA THR A 49 4.711 -14.714 -5.257 1.00 0.00 C ATOM 792 C THR A 49 5.315 -15.936 -5.972 1.00 0.00 C ATOM 793 O THR A 49 5.411 -15.974 -7.205 1.00 0.00 O ATOM 794 CB THR A 49 5.869 -13.756 -4.819 1.00 0.00 C ATOM 795 OG1 THR A 49 6.834 -14.472 -4.020 1.00 0.00 O ATOM 796 CG2 THR A 49 5.354 -12.549 -4.011 1.00 0.00 C ATOM 0 H THR A 49 4.351 -15.018 -3.204 1.00 0.00 H new ATOM 0 HA THR A 49 4.052 -14.172 -5.935 1.00 0.00 H new ATOM 0 HB THR A 49 6.333 -13.384 -5.733 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.413 -14.768 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.194 -11.914 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.654 -11.976 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.849 -12.902 -3.112 1.00 0.00 H new ATOM 804 N GLY A 50 5.710 -16.934 -5.163 1.00 0.00 N ATOM 805 CA GLY A 50 6.371 -18.136 -5.656 1.00 0.00 C ATOM 806 C GLY A 50 7.875 -17.953 -5.805 1.00 0.00 C ATOM 807 O GLY A 50 8.499 -18.614 -6.641 1.00 0.00 O ATOM 0 H GLY A 50 5.576 -16.922 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.174 -18.962 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.944 -18.412 -6.620 1.00 0.00 H new ATOM 811 N VAL A 51 8.463 -17.063 -4.974 1.00 0.00 N ATOM 812 CA VAL A 51 9.904 -16.749 -5.032 1.00 0.00 C ATOM 813 C VAL A 51 10.720 -17.875 -4.375 1.00 0.00 C ATOM 814 O VAL A 51 10.218 -18.573 -3.481 1.00 0.00 O ATOM 815 CB VAL A 51 10.220 -15.363 -4.338 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.870 -15.360 -2.834 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.688 -14.906 -4.559 1.00 0.00 C ATOM 0 H VAL A 51 7.957 -16.549 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 51 10.189 -16.669 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 51 9.571 -14.638 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.107 -14.385 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.807 -15.563 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.449 -16.130 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.850 -13.950 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.367 -15.651 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.878 -14.797 -5.627 1.00 0.00 H new ATOM 827 N GLU A 52 11.954 -18.077 -4.867 1.00 0.00 N ATOM 828 CA GLU A 52 12.928 -18.949 -4.216 1.00 0.00 C ATOM 829 C GLU A 52 13.328 -18.352 -2.860 1.00 0.00 C ATOM 830 O GLU A 52 13.814 -17.217 -2.782 1.00 0.00 O ATOM 831 CB GLU A 52 14.176 -19.182 -5.110 1.00 0.00 C ATOM 832 CG GLU A 52 13.966 -20.180 -6.264 1.00 0.00 C ATOM 833 CD GLU A 52 13.162 -19.622 -7.454 1.00 0.00 C ATOM 834 OE1 GLU A 52 11.913 -19.640 -7.415 1.00 0.00 O ATOM 835 OE2 GLU A 52 13.784 -19.149 -8.428 1.00 0.00 O ATOM 0 H GLU A 52 12.296 -17.640 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 52 12.465 -19.923 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.490 -18.226 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.993 -19.539 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.941 -20.510 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.454 -21.061 -5.877 1.00 0.00 H new ATOM 842 N ILE A 53 13.098 -19.133 -1.806 1.00 0.00 N ATOM 843 CA ILE A 53 13.420 -18.748 -0.422 1.00 0.00 C ATOM 844 C ILE A 53 14.969 -18.652 -0.274 1.00 0.00 C ATOM 845 O ILE A 53 15.486 -17.821 0.482 1.00 0.00 O ATOM 846 CB ILE A 53 12.747 -19.776 0.595 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.539 -19.183 2.031 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.499 -21.122 0.646 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.775 -18.953 2.871 1.00 0.00 C ATOM 0 H ILE A 53 12.679 -20.060 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 53 13.010 -17.767 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 53 11.751 -19.969 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.017 -18.231 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.878 -19.853 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.004 -21.789 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.499 -21.577 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.527 -20.953 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.486 -18.541 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.295 -19.899 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.436 -18.253 2.361 1.00 0.00 H new ATOM 861 N ASN A 54 15.687 -19.463 -1.076 1.00 0.00 N ATOM 862 CA ASN A 54 17.158 -19.513 -1.074 1.00 0.00 C ATOM 863 C ASN A 54 17.785 -18.241 -1.696 1.00 0.00 C ATOM 864 O ASN A 54 18.896 -17.857 -1.311 1.00 0.00 O ATOM 865 CB ASN A 54 17.662 -20.786 -1.803 1.00 0.00 C ATOM 866 CG ASN A 54 17.268 -20.843 -3.284 1.00 0.00 C ATOM 867 OD1 ASN A 54 16.228 -21.393 -3.641 1.00 0.00 O ATOM 868 ND2 ASN A 54 18.081 -20.255 -4.151 1.00 0.00 N ATOM 0 H ASN A 54 15.259 -20.103 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 54 17.479 -19.554 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.748 -20.834 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.265 -21.666 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.850 -20.251 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.937 -19.807 -3.824 1.00 0.00 H new ATOM 875 N LYS A 55 17.079 -17.582 -2.665 1.00 0.00 N ATOM 876 CA LYS A 55 17.602 -16.337 -3.298 1.00 0.00 C ATOM 877 C LYS A 55 17.312 -15.097 -2.442 1.00 0.00 C ATOM 878 O LYS A 55 17.737 -14.000 -2.796 1.00 0.00 O ATOM 879 CB LYS A 55 17.079 -16.104 -4.749 1.00 0.00 C ATOM 880 CG LYS A 55 15.586 -15.696 -4.882 1.00 0.00 C ATOM 881 CD LYS A 55 15.279 -14.890 -6.175 1.00 0.00 C ATOM 882 CE LYS A 55 15.811 -15.555 -7.461 1.00 0.00 C ATOM 883 NZ LYS A 55 15.298 -16.935 -7.644 1.00 0.00 N ATOM 0 H LYS A 55 16.170 -17.885 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 55 18.680 -16.488 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.689 -15.329 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.237 -17.018 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.969 -16.594 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.301 -15.100 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.201 -14.759 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.714 -13.895 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.529 -14.949 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.900 -15.577 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.361 -17.199 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.867 -17.595 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.306 -16.980 -7.336 1.00 0.00 H new ATOM 897 N LEU A 56 16.565 -15.265 -1.335 1.00 0.00 N ATOM 898 CA LEU A 56 16.367 -14.184 -0.350 1.00 0.00 C ATOM 899 C LEU A 56 17.633 -14.023 0.505 1.00 0.00 C ATOM 900 O LEU A 56 17.921 -12.929 0.997 1.00 0.00 O ATOM 901 CB LEU A 56 15.154 -14.478 0.561 1.00 0.00 C ATOM 902 CG LEU A 56 13.797 -14.761 -0.152 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.682 -14.994 0.878 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.406 -13.637 -1.125 1.00 0.00 C ATOM 0 H LEU A 56 16.090 -16.136 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 56 16.171 -13.259 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.397 -15.338 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.017 -13.628 1.230 1.00 0.00 H new ATOM 0 HG LEU A 56 13.928 -15.668 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.743 -15.190 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.937 -15.850 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.573 -14.108 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.454 -13.879 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.311 -12.699 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.175 -13.535 -1.891 1.00 0.00 H new ATOM 916 N PHE A 57 18.375 -15.145 0.665 1.00 0.00 N ATOM 917 CA PHE A 57 19.637 -15.185 1.421 1.00 0.00 C ATOM 918 C PHE A 57 20.702 -14.263 0.815 1.00 0.00 C ATOM 919 O PHE A 57 20.833 -14.144 -0.413 1.00 0.00 O ATOM 920 CB PHE A 57 20.191 -16.632 1.521 1.00 0.00 C ATOM 921 CG PHE A 57 19.522 -17.457 2.615 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.367 -18.191 2.362 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.054 -17.480 3.907 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.762 -18.917 3.366 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.446 -18.206 4.909 1.00 0.00 C ATOM 926 CZ PHE A 57 18.307 -18.930 4.637 1.00 0.00 C ATOM 0 H PHE A 57 18.109 -16.047 0.270 1.00 0.00 H new ATOM 0 HA PHE A 57 19.407 -14.825 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.055 -17.133 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.264 -16.591 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.940 -18.192 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.953 -16.922 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.861 -19.476 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.862 -18.207 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.838 -19.510 5.418 1.00 0.00 H new ATOM 936 N ASN A 58 21.476 -13.645 1.715 1.00 0.00 N ATOM 937 CA ASN A 58 22.549 -12.725 1.383 1.00 0.00 C ATOM 938 C ASN A 58 23.789 -13.526 0.964 1.00 0.00 C ATOM 939 O ASN A 58 24.694 -13.793 1.767 1.00 0.00 O ATOM 940 CB ASN A 58 22.810 -11.791 2.590 1.00 0.00 C ATOM 941 CG ASN A 58 23.900 -10.758 2.341 1.00 0.00 C ATOM 942 OD1 ASN A 58 23.652 -9.709 1.760 1.00 0.00 O ATOM 943 ND2 ASN A 58 25.114 -11.045 2.780 1.00 0.00 N ATOM 0 H ASN A 58 21.363 -13.781 2.720 1.00 0.00 H new ATOM 0 HA ASN A 58 22.276 -12.091 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 58 21.884 -11.275 2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.086 -12.396 3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.877 -10.383 2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.287 -11.928 3.260 1.00 0.00 H new ATOM 999 N LYS A 63 28.594 -13.657 4.917 1.00 0.00 N ATOM 1000 CA LYS A 63 27.997 -14.534 5.949 1.00 0.00 C ATOM 1001 C LYS A 63 27.453 -15.879 5.412 1.00 0.00 C ATOM 1002 O LYS A 63 27.439 -16.871 6.138 1.00 0.00 O ATOM 1003 CB LYS A 63 26.899 -13.772 6.718 1.00 0.00 C ATOM 1004 CG LYS A 63 27.350 -12.397 7.272 1.00 0.00 C ATOM 1005 CD LYS A 63 26.239 -11.676 8.069 1.00 0.00 C ATOM 1006 CE LYS A 63 24.989 -11.378 7.221 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.265 -10.418 6.116 1.00 0.00 N ATOM 0 HA LYS A 63 28.811 -14.802 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.045 -13.623 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.556 -14.391 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.219 -12.537 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.666 -11.763 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.954 -12.291 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.633 -10.741 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.608 -12.309 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.207 -10.973 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.372 -10.159 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.714 -9.563 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.902 -10.860 5.423 1.00 0.00 H new ATOM 1021 N TYR A 64 27.030 -15.908 4.143 1.00 0.00 N ATOM 1022 CA TYR A 64 26.484 -17.129 3.496 1.00 0.00 C ATOM 1023 C TYR A 64 27.518 -18.291 3.514 1.00 0.00 C ATOM 1024 O TYR A 64 27.137 -19.470 3.535 1.00 0.00 O ATOM 1025 CB TYR A 64 26.036 -16.784 2.054 1.00 0.00 C ATOM 1026 CG TYR A 64 25.241 -17.885 1.315 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.863 -18.033 1.511 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.864 -18.763 0.420 1.00 0.00 C ATOM 1029 CE1 TYR A 64 23.146 -19.007 0.845 1.00 0.00 C ATOM 1030 CE2 TYR A 64 25.143 -19.739 -0.247 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.789 -19.858 -0.029 1.00 0.00 C ATOM 1032 OH TYR A 64 23.071 -20.834 -0.691 1.00 0.00 O ATOM 0 H TYR A 64 27.052 -15.094 3.529 1.00 0.00 H new ATOM 0 HA TYR A 64 25.618 -17.476 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.424 -15.882 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.922 -16.545 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.351 -17.373 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.927 -18.677 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 64 22.083 -19.102 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.641 -20.405 -0.936 1.00 0.00 H new ATOM 0 HH TYR A 64 23.488 -21.015 -1.559 1.00 0.00 H new ATOM 1042 N ARG A 65 28.827 -17.938 3.548 1.00 0.00 N ATOM 1043 CA ARG A 65 29.934 -18.923 3.618 1.00 0.00 C ATOM 1044 C ARG A 65 30.742 -18.780 4.927 1.00 0.00 C ATOM 1045 O ARG A 65 31.482 -19.697 5.299 1.00 0.00 O ATOM 1046 CB ARG A 65 30.847 -18.845 2.343 1.00 0.00 C ATOM 1047 CG ARG A 65 31.450 -17.456 1.962 1.00 0.00 C ATOM 1048 CD ARG A 65 32.566 -16.952 2.907 1.00 0.00 C ATOM 1049 NE ARG A 65 33.622 -17.958 3.125 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.416 -18.034 4.206 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.310 -17.168 5.212 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.316 -18.993 4.281 1.00 0.00 N ATOM 0 H ARG A 65 29.143 -16.968 3.528 1.00 0.00 H new ATOM 0 HA ARG A 65 29.491 -19.919 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.673 -19.542 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.266 -19.202 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.850 -17.515 0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.647 -16.719 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.011 -16.049 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.128 -16.677 3.866 1.00 0.00 H new ATOM 0 HE ARG A 65 33.761 -18.655 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.613 -16.424 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.926 -17.249 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 65 35.405 -19.669 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.924 -19.059 5.098 1.00 0.00 H new ATOM 1066 N GLU A 66 30.604 -17.618 5.606 1.00 0.00 N ATOM 1067 CA GLU A 66 31.276 -17.343 6.901 1.00 0.00 C ATOM 1068 C GLU A 66 30.690 -18.246 7.994 1.00 0.00 C ATOM 1069 O GLU A 66 31.415 -18.886 8.768 1.00 0.00 O ATOM 1070 CB GLU A 66 31.110 -15.852 7.298 1.00 0.00 C ATOM 1071 CG GLU A 66 31.842 -15.430 8.593 1.00 0.00 C ATOM 1072 CD GLU A 66 33.365 -15.644 8.529 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.039 -14.890 7.804 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.885 -16.584 9.169 1.00 0.00 O ATOM 0 H GLU A 66 30.026 -16.846 5.275 1.00 0.00 H new ATOM 0 HA GLU A 66 32.340 -17.554 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.471 -15.232 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.047 -15.640 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.638 -14.378 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.437 -15.996 9.432 1.00 0.00 H new ATOM 1081 N LEU A 67 29.353 -18.269 8.024 1.00 0.00 N ATOM 1082 CA LEU A 67 28.556 -19.146 8.897 1.00 0.00 C ATOM 1083 C LEU A 67 28.501 -20.570 8.293 1.00 0.00 C ATOM 1084 O LEU A 67 28.220 -21.552 8.991 1.00 0.00 O ATOM 1085 CB LEU A 67 27.122 -18.546 9.022 1.00 0.00 C ATOM 1086 CG LEU A 67 27.054 -16.992 9.233 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.605 -16.464 9.198 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.783 -16.556 10.518 1.00 0.00 C ATOM 0 H LEU A 67 28.781 -17.668 7.431 1.00 0.00 H new ATOM 0 HA LEU A 67 29.009 -19.212 9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.562 -18.797 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.616 -19.031 9.857 1.00 0.00 H new ATOM 0 HG LEU A 67 27.579 -16.539 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.607 -15.384 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.157 -16.695 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.025 -16.939 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.712 -15.474 10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.321 -17.038 11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.832 -16.847 10.458 1.00 0.00 H new ATOM 1100 N ASP A 68 28.812 -20.624 6.979 1.00 0.00 N ATOM 1101 CA ASP A 68 28.604 -21.771 6.088 1.00 0.00 C ATOM 1102 C ASP A 68 27.148 -22.228 6.178 1.00 0.00 C ATOM 1103 O ASP A 68 26.834 -23.332 6.653 1.00 0.00 O ATOM 1104 CB ASP A 68 29.616 -22.945 6.324 1.00 0.00 C ATOM 1105 CG ASP A 68 29.763 -23.897 5.101 1.00 0.00 C ATOM 1106 OD1 ASP A 68 28.778 -24.127 4.356 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.879 -24.411 4.868 1.00 0.00 O ATOM 0 H ASP A 68 29.233 -19.831 6.496 1.00 0.00 H new ATOM 0 HA ASP A 68 28.810 -21.439 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.593 -22.528 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.292 -23.525 7.188 1.00 0.00 H new ATOM 1112 N LEU A 69 26.257 -21.324 5.758 1.00 0.00 N ATOM 1113 CA LEU A 69 24.835 -21.620 5.677 1.00 0.00 C ATOM 1114 C LEU A 69 24.583 -22.696 4.623 1.00 0.00 C ATOM 1115 O LEU A 69 23.713 -23.507 4.805 1.00 0.00 O ATOM 1116 CB LEU A 69 24.009 -20.355 5.368 1.00 0.00 C ATOM 1117 CG LEU A 69 24.073 -19.223 6.435 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.266 -17.998 5.973 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.583 -19.720 7.817 1.00 0.00 C ATOM 0 H LEU A 69 26.504 -20.378 5.469 1.00 0.00 H new ATOM 0 HA LEU A 69 24.513 -21.992 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.346 -19.948 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.967 -20.648 5.239 1.00 0.00 H new ATOM 0 HG LEU A 69 25.116 -18.926 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.323 -17.218 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.678 -17.623 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.225 -18.284 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.641 -18.905 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.551 -20.060 7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.212 -20.545 8.151 1.00 0.00 H new ATOM 1131 N LYS A 70 25.403 -22.708 3.561 1.00 0.00 N ATOM 1132 CA LYS A 70 25.255 -23.637 2.419 1.00 0.00 C ATOM 1133 C LYS A 70 25.137 -25.121 2.886 1.00 0.00 C ATOM 1134 O LYS A 70 24.215 -25.857 2.462 1.00 0.00 O ATOM 1135 CB LYS A 70 26.468 -23.446 1.464 1.00 0.00 C ATOM 1136 CG LYS A 70 26.311 -24.085 0.066 1.00 0.00 C ATOM 1137 CD LYS A 70 25.071 -23.548 -0.682 1.00 0.00 C ATOM 1138 CE LYS A 70 24.950 -24.076 -2.119 1.00 0.00 C ATOM 1139 NZ LYS A 70 23.663 -23.669 -2.739 1.00 0.00 N ATOM 0 H LYS A 70 26.194 -22.071 3.465 1.00 0.00 H new ATOM 0 HA LYS A 70 24.329 -23.406 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.648 -22.378 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.354 -23.865 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.205 -23.886 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.231 -25.167 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.174 -23.821 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.113 -22.459 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.779 -23.699 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.027 -25.163 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.612 -24.041 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.873 -24.049 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.602 -22.631 -2.763 1.00 0.00 H new ATOM 1153 N ASN A 71 26.042 -25.495 3.826 1.00 0.00 N ATOM 1154 CA ASN A 71 26.113 -26.852 4.420 1.00 0.00 C ATOM 1155 C ASN A 71 24.782 -27.201 5.113 1.00 0.00 C ATOM 1156 O ASN A 71 24.246 -28.298 4.925 1.00 0.00 O ATOM 1157 CB ASN A 71 27.288 -26.923 5.457 1.00 0.00 C ATOM 1158 CG ASN A 71 27.731 -28.342 5.922 1.00 0.00 C ATOM 1159 OD1 ASN A 71 26.853 -29.344 5.950 1.00 0.00 O flip ATOM 1160 ND2 ASN A 71 28.889 -28.532 6.288 1.00 0.00 N flip ATOM 0 H ASN A 71 26.748 -24.857 4.195 1.00 0.00 H new ATOM 0 HA ASN A 71 26.296 -27.573 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.154 -26.422 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 71 26.997 -26.352 6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.563 -27.766 6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.176 -29.455 6.612 1.00 0.00 H new ATOM 1167 N LYS A 72 24.253 -26.268 5.922 1.00 0.00 N ATOM 1168 CA LYS A 72 23.017 -26.517 6.676 1.00 0.00 C ATOM 1169 C LYS A 72 21.789 -26.424 5.745 1.00 0.00 C ATOM 1170 O LYS A 72 20.888 -27.244 5.859 1.00 0.00 O ATOM 1171 CB LYS A 72 22.887 -25.572 7.911 1.00 0.00 C ATOM 1172 CG LYS A 72 22.624 -24.092 7.608 1.00 0.00 C ATOM 1173 CD LYS A 72 22.635 -23.216 8.883 1.00 0.00 C ATOM 1174 CE LYS A 72 21.436 -23.471 9.808 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.528 -22.719 11.088 1.00 0.00 N ATOM 0 H LYS A 72 24.659 -25.344 6.069 1.00 0.00 H new ATOM 0 HA LYS A 72 23.062 -27.532 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.078 -25.941 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.804 -25.644 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.380 -23.727 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.659 -23.992 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.556 -23.402 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.644 -22.165 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.518 -23.190 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.368 -24.538 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.572 -22.543 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.069 -23.276 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.008 -21.811 10.923 1.00 0.00 H new ATOM 1189 N LEU A 73 21.816 -25.495 4.756 1.00 0.00 N ATOM 1190 CA LEU A 73 20.637 -25.163 3.913 1.00 0.00 C ATOM 1191 C LEU A 73 20.239 -26.339 3.012 1.00 0.00 C ATOM 1192 O LEU A 73 19.046 -26.530 2.726 1.00 0.00 O ATOM 1193 CB LEU A 73 20.859 -23.877 3.048 1.00 0.00 C ATOM 1194 CG LEU A 73 20.985 -22.521 3.825 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.067 -21.305 2.870 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.862 -22.348 4.865 1.00 0.00 C ATOM 0 H LEU A 73 22.650 -24.957 4.521 1.00 0.00 H new ATOM 0 HA LEU A 73 19.820 -24.959 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.764 -24.016 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.030 -23.791 2.346 1.00 0.00 H new ATOM 0 HG LEU A 73 21.928 -22.562 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.153 -20.389 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.939 -21.407 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.166 -21.262 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.987 -21.396 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.895 -22.364 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.908 -23.161 5.589 1.00 0.00 H new ATOM 1208 N GLN A 74 21.237 -27.128 2.568 1.00 0.00 N ATOM 1209 CA GLN A 74 20.977 -28.315 1.727 1.00 0.00 C ATOM 1210 C GLN A 74 20.310 -29.473 2.513 1.00 0.00 C ATOM 1211 O GLN A 74 19.768 -30.394 1.895 1.00 0.00 O ATOM 1212 CB GLN A 74 22.284 -28.777 1.011 1.00 0.00 C ATOM 1213 CG GLN A 74 23.462 -29.204 1.925 1.00 0.00 C ATOM 1214 CD GLN A 74 23.380 -30.626 2.505 1.00 0.00 C ATOM 1215 OE1 GLN A 74 22.792 -31.562 1.771 1.00 0.00 O flip ATOM 1216 NE2 GLN A 74 23.871 -30.884 3.600 1.00 0.00 N flip ATOM 0 H GLN A 74 22.223 -26.968 2.775 1.00 0.00 H new ATOM 0 HA GLN A 74 20.256 -28.019 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.037 -29.615 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.627 -27.965 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.388 -29.117 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.529 -28.498 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.318 -30.147 4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 74 23.832 -31.836 3.965 1.00 0.00 H new ATOM 1225 N THR A 75 20.359 -29.443 3.862 1.00 0.00 N ATOM 1226 CA THR A 75 19.833 -30.556 4.695 1.00 0.00 C ATOM 1227 C THR A 75 18.612 -30.150 5.556 1.00 0.00 C ATOM 1228 O THR A 75 17.806 -31.024 5.905 1.00 0.00 O ATOM 1229 CB THR A 75 20.950 -31.185 5.601 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.450 -32.353 6.282 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.518 -30.200 6.643 1.00 0.00 C ATOM 0 H THR A 75 20.753 -28.669 4.398 1.00 0.00 H new ATOM 0 HA THR A 75 19.491 -31.311 3.987 1.00 0.00 H new ATOM 0 HB THR A 75 21.764 -31.455 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.159 -32.734 6.841 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.285 -30.699 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.955 -29.342 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.716 -29.862 7.299 1.00 0.00 H new ATOM 1239 N LEU A 76 18.467 -28.853 5.916 1.00 0.00 N ATOM 1240 CA LEU A 76 17.379 -28.409 6.840 1.00 0.00 C ATOM 1241 C LEU A 76 16.010 -28.238 6.131 1.00 0.00 C ATOM 1242 O LEU A 76 15.878 -28.497 4.927 1.00 0.00 O ATOM 1243 CB LEU A 76 17.787 -27.116 7.640 1.00 0.00 C ATOM 1244 CG LEU A 76 18.369 -25.884 6.858 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.449 -25.352 5.762 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.783 -24.744 7.818 1.00 0.00 C ATOM 0 H LEU A 76 19.075 -28.101 5.591 1.00 0.00 H new ATOM 0 HA LEU A 76 17.246 -29.216 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.906 -26.774 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.526 -27.411 8.385 1.00 0.00 H new ATOM 0 HG LEU A 76 19.258 -26.263 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.923 -24.503 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.263 -26.138 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.504 -25.035 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.181 -23.909 7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.913 -24.412 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.547 -25.107 8.506 1.00 0.00 H new ATOM 1258 N SER A 77 15.002 -27.790 6.911 1.00 0.00 N ATOM 1259 CA SER A 77 13.659 -27.447 6.410 1.00 0.00 C ATOM 1260 C SER A 77 13.637 -26.003 5.885 1.00 0.00 C ATOM 1261 O SER A 77 14.409 -25.164 6.354 1.00 0.00 O ATOM 1262 CB SER A 77 12.637 -27.609 7.562 1.00 0.00 C ATOM 1263 OG SER A 77 12.727 -28.901 8.143 1.00 0.00 O ATOM 0 H SER A 77 15.102 -27.656 7.917 1.00 0.00 H new ATOM 0 HA SER A 77 13.397 -28.114 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.818 -26.850 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.628 -27.446 7.184 1.00 0.00 H new ATOM 0 HG SER A 77 12.074 -28.979 8.869 1.00 0.00 H new ATOM 1269 N ASP A 78 12.728 -25.704 4.938 1.00 0.00 N ATOM 1270 CA ASP A 78 12.545 -24.328 4.419 1.00 0.00 C ATOM 1271 C ASP A 78 12.094 -23.368 5.533 1.00 0.00 C ATOM 1272 O ASP A 78 12.335 -22.168 5.447 1.00 0.00 O ATOM 1273 CB ASP A 78 11.543 -24.301 3.245 1.00 0.00 C ATOM 1274 CG ASP A 78 12.064 -25.057 2.009 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.947 -24.521 1.301 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.610 -26.191 1.753 1.00 0.00 O ATOM 0 H ASP A 78 12.107 -26.394 4.515 1.00 0.00 H new ATOM 0 HA ASP A 78 13.512 -23.989 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.600 -24.743 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.334 -23.266 2.973 1.00 0.00 H new ATOM 1281 N ASP A 79 11.460 -23.930 6.575 1.00 0.00 N ATOM 1282 CA ASP A 79 11.090 -23.208 7.802 1.00 0.00 C ATOM 1283 C ASP A 79 12.328 -22.686 8.547 1.00 0.00 C ATOM 1284 O ASP A 79 12.309 -21.579 9.074 1.00 0.00 O ATOM 1285 CB ASP A 79 10.257 -24.131 8.725 1.00 0.00 C ATOM 1286 CG ASP A 79 8.807 -24.297 8.259 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.563 -25.057 7.295 1.00 0.00 O ATOM 1288 OD2 ASP A 79 7.910 -23.655 8.847 1.00 0.00 O ATOM 0 H ASP A 79 11.186 -24.913 6.588 1.00 0.00 H new ATOM 0 HA ASP A 79 10.489 -22.344 7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.731 -25.111 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.263 -23.725 9.736 1.00 0.00 H new ATOM 1293 N GLU A 80 13.397 -23.490 8.568 1.00 0.00 N ATOM 1294 CA GLU A 80 14.664 -23.128 9.233 1.00 0.00 C ATOM 1295 C GLU A 80 15.420 -22.047 8.437 1.00 0.00 C ATOM 1296 O GLU A 80 16.127 -21.210 9.018 1.00 0.00 O ATOM 1297 CB GLU A 80 15.519 -24.398 9.444 1.00 0.00 C ATOM 1298 CG GLU A 80 14.827 -25.488 10.292 1.00 0.00 C ATOM 1299 CD GLU A 80 15.700 -26.729 10.539 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.714 -26.621 11.268 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.372 -27.818 10.016 1.00 0.00 O ATOM 0 H GLU A 80 13.413 -24.409 8.127 1.00 0.00 H new ATOM 0 HA GLU A 80 14.446 -22.698 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.775 -24.817 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.455 -24.117 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.540 -25.060 11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.908 -25.795 9.792 1.00 0.00 H new ATOM 1308 N LYS A 81 15.237 -22.065 7.105 1.00 0.00 N ATOM 1309 CA LYS A 81 15.708 -20.989 6.214 1.00 0.00 C ATOM 1310 C LYS A 81 14.997 -19.661 6.567 1.00 0.00 C ATOM 1311 O LYS A 81 15.636 -18.604 6.702 1.00 0.00 O ATOM 1312 CB LYS A 81 15.426 -21.354 4.734 1.00 0.00 C ATOM 1313 CG LYS A 81 16.106 -22.632 4.227 1.00 0.00 C ATOM 1314 CD LYS A 81 15.790 -22.950 2.747 1.00 0.00 C ATOM 1315 CE LYS A 81 16.431 -24.267 2.267 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.978 -24.653 0.901 1.00 0.00 N ATOM 0 H LYS A 81 14.760 -22.823 6.617 1.00 0.00 H new ATOM 0 HA LYS A 81 16.783 -20.869 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.349 -21.460 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.743 -20.521 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.185 -22.533 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.792 -23.472 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.710 -23.009 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.143 -22.131 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.516 -24.163 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.185 -25.065 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.327 -25.607 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.939 -24.647 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.352 -23.975 0.207 1.00 0.00 H new ATOM 1330 N LEU A 82 13.662 -19.761 6.734 1.00 0.00 N ATOM 1331 CA LEU A 82 12.797 -18.639 7.138 1.00 0.00 C ATOM 1332 C LEU A 82 13.219 -18.083 8.509 1.00 0.00 C ATOM 1333 O LEU A 82 13.206 -16.877 8.707 1.00 0.00 O ATOM 1334 CB LEU A 82 11.318 -19.098 7.198 1.00 0.00 C ATOM 1335 CG LEU A 82 10.672 -19.545 5.849 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.326 -20.257 6.079 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.491 -18.358 4.904 1.00 0.00 C ATOM 0 H LEU A 82 13.152 -20.632 6.590 1.00 0.00 H new ATOM 0 HA LEU A 82 12.902 -17.849 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.246 -19.927 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.724 -18.281 7.607 1.00 0.00 H new ATOM 0 HG LEU A 82 11.355 -20.255 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.903 -20.555 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.483 -21.141 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.638 -19.579 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.039 -18.700 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.843 -17.617 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.462 -17.910 4.693 1.00 0.00 H new ATOM 1349 N GLU A 83 13.592 -18.997 9.437 1.00 0.00 N ATOM 1350 CA GLU A 83 14.069 -18.638 10.787 1.00 0.00 C ATOM 1351 C GLU A 83 15.310 -17.743 10.696 1.00 0.00 C ATOM 1352 O GLU A 83 15.356 -16.681 11.318 1.00 0.00 O ATOM 1353 CB GLU A 83 14.398 -19.899 11.640 1.00 0.00 C ATOM 1354 CG GLU A 83 13.184 -20.761 12.032 1.00 0.00 C ATOM 1355 CD GLU A 83 13.555 -21.966 12.911 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.855 -21.769 14.113 1.00 0.00 O ATOM 1357 OE2 GLU A 83 13.537 -23.114 12.424 1.00 0.00 O ATOM 0 H GLU A 83 13.569 -20.002 9.267 1.00 0.00 H new ATOM 0 HA GLU A 83 13.262 -18.096 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.100 -20.520 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.906 -19.580 12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.462 -20.140 12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.692 -21.118 11.127 1.00 0.00 H new ATOM 1364 N LEU A 84 16.303 -18.193 9.904 1.00 0.00 N ATOM 1365 CA LEU A 84 17.568 -17.459 9.679 1.00 0.00 C ATOM 1366 C LEU A 84 17.305 -16.021 9.185 1.00 0.00 C ATOM 1367 O LEU A 84 17.841 -15.046 9.743 1.00 0.00 O ATOM 1368 CB LEU A 84 18.443 -18.237 8.659 1.00 0.00 C ATOM 1369 CG LEU A 84 19.015 -19.603 9.164 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.612 -20.433 8.007 1.00 0.00 C ATOM 1371 CD2 LEU A 84 20.062 -19.385 10.284 1.00 0.00 C ATOM 0 H LEU A 84 16.252 -19.078 9.400 1.00 0.00 H new ATOM 0 HA LEU A 84 18.099 -17.384 10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.849 -18.421 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.277 -17.601 8.363 1.00 0.00 H new ATOM 0 HG LEU A 84 18.183 -20.171 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.999 -21.374 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.837 -20.637 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.422 -19.874 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.444 -20.350 10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.885 -18.782 9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.595 -18.870 11.123 1.00 0.00 H new ATOM 1383 N LEU A 85 16.433 -15.917 8.168 1.00 0.00 N ATOM 1384 CA LEU A 85 16.053 -14.625 7.572 1.00 0.00 C ATOM 1385 C LEU A 85 15.309 -13.721 8.588 1.00 0.00 C ATOM 1386 O LEU A 85 15.560 -12.519 8.648 1.00 0.00 O ATOM 1387 CB LEU A 85 15.154 -14.850 6.333 1.00 0.00 C ATOM 1388 CG LEU A 85 15.779 -15.646 5.147 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.784 -15.743 3.975 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.124 -15.039 4.683 1.00 0.00 C ATOM 0 H LEU A 85 15.974 -16.720 7.738 1.00 0.00 H new ATOM 0 HA LEU A 85 16.973 -14.121 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.254 -15.373 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.839 -13.875 5.960 1.00 0.00 H new ATOM 0 HG LEU A 85 15.991 -16.653 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.239 -16.302 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.880 -16.255 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.528 -14.741 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.522 -15.626 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.966 -14.011 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.833 -15.051 5.511 1.00 0.00 H new ATOM 1402 N SER A 86 14.396 -14.328 9.373 1.00 0.00 N ATOM 1403 CA SER A 86 13.553 -13.611 10.353 1.00 0.00 C ATOM 1404 C SER A 86 14.383 -13.088 11.534 1.00 0.00 C ATOM 1405 O SER A 86 14.081 -12.029 12.102 1.00 0.00 O ATOM 1406 CB SER A 86 12.437 -14.546 10.873 1.00 0.00 C ATOM 1407 OG SER A 86 11.570 -14.948 9.828 1.00 0.00 O ATOM 0 H SER A 86 14.222 -15.333 9.345 1.00 0.00 H new ATOM 0 HA SER A 86 13.108 -12.754 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.884 -15.426 11.336 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.864 -14.035 11.647 1.00 0.00 H new ATOM 0 HG SER A 86 11.999 -15.654 9.301 1.00 0.00 H new ATOM 1413 N SER A 87 15.430 -13.843 11.891 1.00 0.00 N ATOM 1414 CA SER A 87 16.312 -13.512 13.012 1.00 0.00 C ATOM 1415 C SER A 87 17.343 -12.451 12.605 1.00 0.00 C ATOM 1416 O SER A 87 17.777 -11.649 13.447 1.00 0.00 O ATOM 1417 CB SER A 87 17.027 -14.779 13.524 1.00 0.00 C ATOM 1418 OG SER A 87 16.089 -15.748 13.968 1.00 0.00 O ATOM 0 H SER A 87 15.688 -14.703 11.407 1.00 0.00 H new ATOM 0 HA SER A 87 15.699 -13.103 13.815 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.642 -15.200 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.699 -14.517 14.341 1.00 0.00 H new ATOM 0 HG SER A 87 15.711 -16.216 13.194 1.00 0.00 H new ATOM 1424 N ASP A 88 17.742 -12.453 11.319 1.00 0.00 N ATOM 1425 CA ASP A 88 18.800 -11.561 10.823 1.00 0.00 C ATOM 1426 C ASP A 88 18.398 -10.960 9.466 1.00 0.00 C ATOM 1427 O ASP A 88 18.339 -11.674 8.457 1.00 0.00 O ATOM 1428 CB ASP A 88 20.120 -12.361 10.703 1.00 0.00 C ATOM 1429 CG ASP A 88 21.375 -11.480 10.712 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.891 -11.179 11.811 1.00 0.00 O ATOM 1431 OD2 ASP A 88 21.855 -11.089 9.636 1.00 0.00 O ATOM 0 H ASP A 88 17.345 -13.065 10.606 1.00 0.00 H new ATOM 0 HA ASP A 88 18.944 -10.738 11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.180 -13.073 11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.101 -12.942 9.781 1.00 0.00 H new ATOM 1436 N GLY A 89 18.108 -9.648 9.458 1.00 0.00 N ATOM 1437 CA GLY A 89 17.760 -8.927 8.229 1.00 0.00 C ATOM 1438 C GLY A 89 18.960 -8.643 7.333 1.00 0.00 C ATOM 1439 O GLY A 89 18.793 -8.215 6.196 1.00 0.00 O ATOM 0 H GLY A 89 18.109 -9.066 10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.028 -9.510 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.282 -7.984 8.493 1.00 0.00 H new ATOM 1443 N MET A 90 20.180 -8.853 7.861 1.00 0.00 N ATOM 1444 CA MET A 90 21.419 -8.772 7.066 1.00 0.00 C ATOM 1445 C MET A 90 21.661 -10.118 6.345 1.00 0.00 C ATOM 1446 O MET A 90 22.422 -10.177 5.373 1.00 0.00 O ATOM 1447 CB MET A 90 22.624 -8.396 7.974 1.00 0.00 C ATOM 1448 CG MET A 90 22.476 -7.099 8.810 1.00 0.00 C ATOM 1449 SD MET A 90 22.767 -5.556 7.885 1.00 0.00 S ATOM 1450 CE MET A 90 21.241 -5.283 6.982 1.00 0.00 C ATOM 0 H MET A 90 20.334 -9.082 8.843 1.00 0.00 H new ATOM 0 HA MET A 90 21.315 -7.990 6.314 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.809 -9.225 8.658 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.509 -8.298 7.345 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.472 -7.069 9.233 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.173 -7.141 9.647 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.446 -5.287 5.911 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.531 -6.076 7.218 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.817 -4.320 7.267 1.00 0.00 H new ATOM 1460 N LEU A 91 21.027 -11.205 6.868 1.00 0.00 N ATOM 1461 CA LEU A 91 20.958 -12.524 6.197 1.00 0.00 C ATOM 1462 C LEU A 91 19.980 -12.495 5.028 1.00 0.00 C ATOM 1463 O LEU A 91 20.059 -13.337 4.136 1.00 0.00 O ATOM 1464 CB LEU A 91 20.571 -13.665 7.192 1.00 0.00 C ATOM 1465 CG LEU A 91 21.743 -14.296 8.001 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.263 -15.505 8.841 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.907 -14.685 7.072 1.00 0.00 C ATOM 0 H LEU A 91 20.550 -11.185 7.769 1.00 0.00 H new ATOM 0 HA LEU A 91 21.956 -12.736 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.840 -13.271 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.077 -14.457 6.630 1.00 0.00 H new ATOM 0 HG LEU A 91 22.110 -13.542 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.105 -15.922 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.495 -15.179 9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.850 -16.267 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.712 -15.123 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.559 -15.411 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.275 -13.797 6.559 1.00 0.00 H new ATOM 1479 N VAL A 92 19.034 -11.552 5.062 1.00 0.00 N ATOM 1480 CA VAL A 92 18.218 -11.229 3.884 1.00 0.00 C ATOM 1481 C VAL A 92 18.982 -10.169 3.084 1.00 0.00 C ATOM 1482 O VAL A 92 19.696 -9.336 3.674 1.00 0.00 O ATOM 1483 CB VAL A 92 16.780 -10.683 4.239 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.824 -10.795 3.020 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.186 -11.383 5.476 1.00 0.00 C ATOM 0 H VAL A 92 18.813 -10.999 5.890 1.00 0.00 H new ATOM 0 HA VAL A 92 18.057 -12.146 3.318 1.00 0.00 H new ATOM 0 HB VAL A 92 16.889 -9.628 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.841 -10.412 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.223 -10.212 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.736 -11.840 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.196 -10.976 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.106 -12.453 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.835 -11.216 6.336 1.00 0.00 H new ATOM 1495 N LYS A 93 18.869 -10.198 1.753 1.00 0.00 N ATOM 1496 CA LYS A 93 19.449 -9.147 0.920 1.00 0.00 C ATOM 1497 C LYS A 93 18.670 -7.846 1.128 1.00 0.00 C ATOM 1498 O LYS A 93 17.438 -7.816 1.015 1.00 0.00 O ATOM 1499 CB LYS A 93 19.491 -9.554 -0.572 1.00 0.00 C ATOM 1500 CG LYS A 93 20.509 -10.681 -0.862 1.00 0.00 C ATOM 1501 CD LYS A 93 20.677 -10.983 -2.363 1.00 0.00 C ATOM 1502 CE LYS A 93 19.361 -11.405 -3.025 1.00 0.00 C ATOM 1503 NZ LYS A 93 19.557 -11.892 -4.413 1.00 0.00 N ATOM 0 H LYS A 93 18.385 -10.932 1.235 1.00 0.00 H new ATOM 0 HA LYS A 93 20.484 -8.991 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.498 -9.880 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.742 -8.681 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.477 -10.403 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.190 -11.589 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.067 -10.099 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.415 -11.775 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.893 -12.190 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.674 -10.559 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.653 -12.244 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.899 -11.112 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.256 -12.662 -4.415 1.00 0.00 H new ATOM 1517 N ARG A 94 19.431 -6.797 1.479 1.00 0.00 N ATOM 1518 CA ARG A 94 18.914 -5.438 1.717 1.00 0.00 C ATOM 1519 C ARG A 94 18.045 -4.930 0.537 1.00 0.00 C ATOM 1520 O ARG A 94 16.957 -4.440 0.797 1.00 0.00 O ATOM 1521 CB ARG A 94 20.084 -4.461 2.027 1.00 0.00 C ATOM 1522 CG ARG A 94 20.912 -4.837 3.288 1.00 0.00 C ATOM 1523 CD ARG A 94 22.397 -4.465 3.164 1.00 0.00 C ATOM 1524 NE ARG A 94 23.024 -5.158 2.019 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.331 -6.472 1.976 1.00 0.00 C ATOM 1526 NH1 ARG A 94 23.219 -7.244 3.058 1.00 0.00 N ATOM 1527 NH2 ARG A 94 23.797 -6.991 0.850 1.00 0.00 N ATOM 0 H ARG A 94 20.440 -6.870 1.608 1.00 0.00 H new ATOM 0 HA ARG A 94 18.260 -5.478 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.751 -4.426 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.679 -3.457 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.488 -4.334 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 94 20.825 -5.909 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.496 -3.387 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.919 -4.729 4.084 1.00 0.00 H new ATOM 0 HE ARG A 94 23.242 -4.598 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 94 22.896 -6.844 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 94 23.456 -8.235 3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 94 23.920 -6.399 0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.033 -7.982 0.805 1.00 0.00 H new ATOM 1541 N PRO A 95 18.486 -5.040 -0.778 1.00 0.00 N ATOM 1542 CA PRO A 95 17.603 -4.699 -1.912 1.00 0.00 C ATOM 1543 C PRO A 95 16.556 -5.803 -2.179 1.00 0.00 C ATOM 1544 O PRO A 95 16.830 -6.809 -2.854 1.00 0.00 O ATOM 1545 CB PRO A 95 18.585 -4.524 -3.088 1.00 0.00 C ATOM 1546 CG PRO A 95 19.731 -5.435 -2.768 1.00 0.00 C ATOM 1547 CD PRO A 95 19.843 -5.455 -1.262 1.00 0.00 C ATOM 0 HA PRO A 95 17.005 -3.806 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.119 -4.793 -4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.915 -3.489 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.553 -6.437 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.654 -5.075 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.108 -6.447 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.615 -4.770 -0.912 1.00 0.00 H new ATOM 1555 N LEU A 96 15.370 -5.613 -1.596 1.00 0.00 N ATOM 1556 CA LEU A 96 14.202 -6.468 -1.839 1.00 0.00 C ATOM 1557 C LEU A 96 12.979 -5.563 -1.992 1.00 0.00 C ATOM 1558 O LEU A 96 12.889 -4.512 -1.370 1.00 0.00 O ATOM 1559 CB LEU A 96 14.032 -7.521 -0.687 1.00 0.00 C ATOM 1560 CG LEU A 96 12.772 -8.490 -0.750 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.078 -9.892 -0.155 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.536 -7.899 -0.041 1.00 0.00 C ATOM 0 H LEU A 96 15.190 -4.856 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 96 14.331 -7.045 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.929 -8.139 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.992 -6.980 0.258 1.00 0.00 H new ATOM 0 HG LEU A 96 12.546 -8.598 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.188 -10.517 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.889 -10.356 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.372 -9.788 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.705 -8.600 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.769 -7.720 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.259 -6.958 -0.516 1.00 0.00 H new ATOM 1574 N ALA A 97 12.060 -5.969 -2.853 1.00 0.00 N ATOM 1575 CA ALA A 97 10.783 -5.294 -3.045 1.00 0.00 C ATOM 1576 C ALA A 97 9.727 -6.376 -3.213 1.00 0.00 C ATOM 1577 O ALA A 97 9.864 -7.218 -4.088 1.00 0.00 O ATOM 1578 CB ALA A 97 10.864 -4.363 -4.268 1.00 0.00 C ATOM 0 H ALA A 97 12.180 -6.789 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 97 10.524 -4.666 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.907 -3.861 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.644 -3.619 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.099 -4.949 -5.157 1.00 0.00 H new ATOM 1584 N VAL A 98 8.709 -6.400 -2.339 1.00 0.00 N ATOM 1585 CA VAL A 98 7.651 -7.427 -2.373 1.00 0.00 C ATOM 1586 C VAL A 98 6.258 -6.775 -2.257 1.00 0.00 C ATOM 1587 O VAL A 98 6.128 -5.654 -1.770 1.00 0.00 O ATOM 1588 CB VAL A 98 7.870 -8.503 -1.234 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.686 -7.910 0.186 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.981 -9.756 -1.446 1.00 0.00 C ATOM 0 H VAL A 98 8.594 -5.714 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 98 7.707 -7.942 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 98 8.910 -8.822 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.847 -8.690 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.406 -7.107 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.675 -7.516 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.161 -10.470 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.931 -9.462 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.225 -10.217 -2.403 1.00 0.00 H new ATOM 1600 N MET A 99 5.241 -7.493 -2.746 1.00 0.00 N ATOM 1601 CA MET A 99 3.816 -7.125 -2.650 1.00 0.00 C ATOM 1602 C MET A 99 2.995 -8.407 -2.394 1.00 0.00 C ATOM 1603 O MET A 99 3.567 -9.451 -2.045 1.00 0.00 O ATOM 1604 CB MET A 99 3.332 -6.391 -3.941 1.00 0.00 C ATOM 1605 CG MET A 99 3.832 -4.945 -4.101 1.00 0.00 C ATOM 1606 SD MET A 99 2.763 -3.906 -5.129 1.00 0.00 S ATOM 1607 CE MET A 99 2.807 -4.717 -6.724 1.00 0.00 C ATOM 0 H MET A 99 5.387 -8.376 -3.236 1.00 0.00 H new ATOM 0 HA MET A 99 3.674 -6.430 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.653 -6.967 -4.809 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.242 -6.384 -3.948 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.922 -4.491 -3.114 1.00 0.00 H new ATOM 0 HG3 MET A 99 4.831 -4.963 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.835 -4.622 -7.207 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.570 -4.251 -7.348 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.043 -5.772 -6.589 1.00 0.00 H new ATOM 1617 N GLY A 100 1.658 -8.315 -2.573 1.00 0.00 N ATOM 1618 CA GLY A 100 0.737 -9.422 -2.283 1.00 0.00 C ATOM 1619 C GLY A 100 0.980 -10.687 -3.112 1.00 0.00 C ATOM 1620 O GLY A 100 0.718 -11.794 -2.634 1.00 0.00 O ATOM 0 H GLY A 100 1.196 -7.475 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.816 -9.675 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.284 -9.082 -2.454 1.00 0.00 H new ATOM 1624 N ASP A 101 1.479 -10.526 -4.354 1.00 0.00 N ATOM 1625 CA ASP A 101 1.712 -11.652 -5.293 1.00 0.00 C ATOM 1626 C ASP A 101 2.868 -11.346 -6.270 1.00 0.00 C ATOM 1627 O ASP A 101 3.079 -12.092 -7.229 1.00 0.00 O ATOM 1628 CB ASP A 101 0.408 -11.996 -6.078 1.00 0.00 C ATOM 1629 CG ASP A 101 -0.123 -10.836 -6.951 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.886 -9.995 -6.433 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.229 -10.753 -8.149 1.00 0.00 O ATOM 0 H ASP A 101 1.733 -9.616 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 101 2.000 -12.520 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.597 -12.860 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.366 -12.287 -5.368 1.00 0.00 H new ATOM 1636 N LYS A 102 3.637 -10.266 -5.997 1.00 0.00 N ATOM 1637 CA LYS A 102 4.776 -9.815 -6.846 1.00 0.00 C ATOM 1638 C LYS A 102 6.043 -9.589 -5.985 1.00 0.00 C ATOM 1639 O LYS A 102 5.919 -9.225 -4.825 1.00 0.00 O ATOM 1640 CB LYS A 102 4.385 -8.502 -7.584 1.00 0.00 C ATOM 1641 CG LYS A 102 3.267 -8.660 -8.638 1.00 0.00 C ATOM 1642 CD LYS A 102 3.610 -9.729 -9.699 1.00 0.00 C ATOM 1643 CE LYS A 102 2.551 -9.843 -10.806 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.847 -10.966 -11.735 1.00 0.00 N ATOM 0 H LYS A 102 3.488 -9.677 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 102 4.998 -10.589 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.067 -7.767 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.272 -8.099 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.336 -8.931 -8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.097 -7.703 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.573 -9.489 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.720 -10.696 -9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.569 -9.991 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.508 -8.909 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.112 -11.013 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.773 -10.812 -12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.864 -11.860 -11.204 1.00 0.00 H new ATOM 1658 N ILE A 103 7.258 -9.803 -6.560 1.00 0.00 N ATOM 1659 CA ILE A 103 8.540 -9.611 -5.820 1.00 0.00 C ATOM 1660 C ILE A 103 9.754 -9.479 -6.785 1.00 0.00 C ATOM 1661 O ILE A 103 9.729 -10.002 -7.903 1.00 0.00 O ATOM 1662 CB ILE A 103 8.796 -10.787 -4.791 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.999 -10.480 -3.828 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.001 -12.125 -5.536 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.188 -11.470 -2.687 1.00 0.00 C ATOM 0 H ILE A 103 7.378 -10.106 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 103 8.442 -8.677 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 103 7.908 -10.874 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.916 -10.450 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.859 -9.485 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.176 -12.921 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.111 -12.355 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.861 -12.043 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.043 -11.169 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.292 -11.486 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.365 -12.465 -3.094 1.00 0.00 H new ATOM 1677 N THR A 104 10.810 -8.756 -6.332 1.00 0.00 N ATOM 1678 CA THR A 104 12.113 -8.621 -7.030 1.00 0.00 C ATOM 1679 C THR A 104 13.261 -8.611 -5.988 1.00 0.00 C ATOM 1680 O THR A 104 13.105 -8.034 -4.897 1.00 0.00 O ATOM 1681 CB THR A 104 12.199 -7.300 -7.875 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.964 -6.158 -7.033 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.200 -7.276 -9.043 1.00 0.00 C ATOM 0 H THR A 104 10.778 -8.240 -5.453 1.00 0.00 H new ATOM 0 HA THR A 104 12.206 -9.470 -7.708 1.00 0.00 H new ATOM 0 HB THR A 104 13.204 -7.264 -8.296 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.815 -5.844 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.304 -6.340 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.402 -8.113 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.185 -7.358 -8.655 1.00 0.00 H new ATOM 1691 N LEU A 105 14.405 -9.255 -6.328 1.00 0.00 N ATOM 1692 CA LEU A 105 15.641 -9.261 -5.490 1.00 0.00 C ATOM 1693 C LEU A 105 16.824 -8.664 -6.282 1.00 0.00 C ATOM 1694 O LEU A 105 17.008 -8.991 -7.465 1.00 0.00 O ATOM 1695 CB LEU A 105 16.008 -10.711 -5.006 1.00 0.00 C ATOM 1696 CG LEU A 105 15.370 -11.203 -3.672 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.830 -10.327 -2.486 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.834 -11.283 -3.771 1.00 0.00 C ATOM 0 H LEU A 105 14.502 -9.788 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 105 15.443 -8.650 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.726 -11.411 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.092 -10.768 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 105 15.723 -12.217 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.371 -10.690 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.915 -10.378 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.529 -9.294 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.426 -11.630 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.432 -10.296 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.556 -11.980 -4.562 1.00 0.00 H new ATOM 1710 N GLY A 106 17.630 -7.820 -5.599 1.00 0.00 N ATOM 1711 CA GLY A 106 18.812 -7.182 -6.200 1.00 0.00 C ATOM 1712 C GLY A 106 18.473 -6.074 -7.199 1.00 0.00 C ATOM 1713 O GLY A 106 17.305 -5.917 -7.593 1.00 0.00 O ATOM 0 H GLY A 106 17.477 -7.567 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.432 -6.766 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.408 -7.943 -6.704 1.00 0.00 H new ATOM 1717 N PHE A 107 19.496 -5.291 -7.619 1.00 0.00 N ATOM 1718 CA PHE A 107 19.302 -4.232 -8.629 1.00 0.00 C ATOM 1719 C PHE A 107 19.225 -4.870 -10.017 1.00 0.00 C ATOM 1720 O PHE A 107 20.250 -5.217 -10.621 1.00 0.00 O ATOM 1721 CB PHE A 107 20.420 -3.152 -8.606 1.00 0.00 C ATOM 1722 CG PHE A 107 20.009 -1.852 -9.320 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.291 -0.864 -8.639 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.309 -1.631 -10.664 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.894 0.297 -9.278 1.00 0.00 C ATOM 1726 CE2 PHE A 107 19.911 -0.468 -11.298 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.204 0.495 -10.606 1.00 0.00 C ATOM 0 H PHE A 107 20.453 -5.374 -7.276 1.00 0.00 H new ATOM 0 HA PHE A 107 18.371 -3.720 -8.386 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.680 -2.926 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.316 -3.553 -9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 107 19.043 -1.010 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.859 -2.378 -11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.340 1.049 -8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.154 -0.313 -12.339 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.895 1.402 -11.104 1.00 0.00 H new ATOM 1737 N LYS A 108 18.000 -5.069 -10.483 1.00 0.00 N ATOM 1738 CA LYS A 108 17.710 -5.582 -11.820 1.00 0.00 C ATOM 1739 C LYS A 108 16.678 -4.668 -12.470 1.00 0.00 C ATOM 1740 O LYS A 108 15.494 -4.734 -12.117 1.00 0.00 O ATOM 1741 CB LYS A 108 17.184 -7.040 -11.748 1.00 0.00 C ATOM 1742 CG LYS A 108 18.248 -8.124 -11.492 1.00 0.00 C ATOM 1743 CD LYS A 108 19.249 -8.250 -12.660 1.00 0.00 C ATOM 1744 CE LYS A 108 20.187 -9.453 -12.504 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.465 -10.748 -12.580 1.00 0.00 N ATOM 0 H LYS A 108 17.162 -4.876 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 108 18.622 -5.594 -12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.436 -7.098 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.676 -7.270 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.790 -7.889 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.755 -9.083 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.699 -8.341 -13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.842 -7.338 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.949 -9.419 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 108 20.705 -9.385 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.152 -11.525 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.892 -10.877 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.845 -10.751 -13.415 1.00 0.00 H new ATOM 1759 N GLU A 109 17.145 -3.797 -13.391 1.00 0.00 N ATOM 1760 CA GLU A 109 16.272 -2.929 -14.206 1.00 0.00 C ATOM 1761 C GLU A 109 15.174 -3.767 -14.881 1.00 0.00 C ATOM 1762 O GLU A 109 14.011 -3.373 -14.906 1.00 0.00 O ATOM 1763 CB GLU A 109 17.103 -2.191 -15.294 1.00 0.00 C ATOM 1764 CG GLU A 109 16.280 -1.220 -16.176 1.00 0.00 C ATOM 1765 CD GLU A 109 17.056 -0.635 -17.371 1.00 0.00 C ATOM 1766 OE1 GLU A 109 18.026 0.120 -17.149 1.00 0.00 O ATOM 1767 OE2 GLU A 109 16.677 -0.904 -18.537 1.00 0.00 O ATOM 0 H GLU A 109 18.138 -3.677 -13.589 1.00 0.00 H new ATOM 0 HA GLU A 109 15.811 -2.191 -13.549 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.902 -1.632 -14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.578 -2.932 -15.936 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.401 -1.745 -16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.921 -0.400 -15.555 1.00 0.00 H new ATOM 1774 N ASP A 110 15.593 -4.946 -15.380 1.00 0.00 N ATOM 1775 CA ASP A 110 14.720 -5.942 -16.020 1.00 0.00 C ATOM 1776 C ASP A 110 13.560 -6.369 -15.098 1.00 0.00 C ATOM 1777 O ASP A 110 12.398 -6.234 -15.466 1.00 0.00 O ATOM 1778 CB ASP A 110 15.556 -7.178 -16.439 1.00 0.00 C ATOM 1779 CG ASP A 110 14.724 -8.315 -17.073 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.402 -8.227 -18.278 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.373 -9.288 -16.364 1.00 0.00 O ATOM 0 H ASP A 110 16.570 -5.236 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 110 14.279 -5.482 -16.904 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.321 -6.863 -17.149 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.075 -7.567 -15.563 1.00 0.00 H new ATOM 1786 N GLN A 111 13.901 -6.882 -13.904 1.00 0.00 N ATOM 1787 CA GLN A 111 12.914 -7.353 -12.914 1.00 0.00 C ATOM 1788 C GLN A 111 11.957 -6.223 -12.485 1.00 0.00 C ATOM 1789 O GLN A 111 10.753 -6.448 -12.360 1.00 0.00 O ATOM 1790 CB GLN A 111 13.646 -7.958 -11.691 1.00 0.00 C ATOM 1791 CG GLN A 111 14.495 -9.204 -12.017 1.00 0.00 C ATOM 1792 CD GLN A 111 13.656 -10.407 -12.453 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.210 -11.198 -11.624 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.453 -10.561 -13.756 1.00 0.00 N ATOM 0 H GLN A 111 14.868 -6.982 -13.597 1.00 0.00 H new ATOM 0 HA GLN A 111 12.304 -8.128 -13.379 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.292 -7.196 -11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.908 -8.223 -10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.203 -8.957 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.081 -9.477 -11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.838 -9.885 -14.416 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.912 -11.355 -14.097 1.00 0.00 H new ATOM 1803 N TYR A 112 12.504 -5.005 -12.303 1.00 0.00 N ATOM 1804 CA TYR A 112 11.715 -3.831 -11.889 1.00 0.00 C ATOM 1805 C TYR A 112 10.676 -3.461 -12.971 1.00 0.00 C ATOM 1806 O TYR A 112 9.499 -3.279 -12.660 1.00 0.00 O ATOM 1807 CB TYR A 112 12.627 -2.607 -11.570 1.00 0.00 C ATOM 1808 CG TYR A 112 13.621 -2.795 -10.395 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.298 -3.567 -9.272 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.880 -2.177 -10.406 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.189 -3.714 -8.217 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.768 -2.326 -9.358 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.421 -3.094 -8.267 1.00 0.00 C ATOM 1814 OH TYR A 112 16.309 -3.232 -7.220 1.00 0.00 O ATOM 0 H TYR A 112 13.496 -4.809 -12.438 1.00 0.00 H new ATOM 0 HA TYR A 112 11.187 -4.099 -10.974 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.196 -2.358 -12.466 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.990 -1.751 -11.349 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.337 -4.058 -9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.162 -1.570 -11.254 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.918 -4.312 -7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.733 -1.842 -9.393 1.00 0.00 H new ATOM 0 HH TYR A 112 16.641 -4.154 -7.192 1.00 0.00 H new ATOM 1824 N LYS A 113 11.110 -3.389 -14.250 1.00 0.00 N ATOM 1825 CA LYS A 113 10.218 -3.013 -15.374 1.00 0.00 C ATOM 1826 C LYS A 113 9.232 -4.136 -15.721 1.00 0.00 C ATOM 1827 O LYS A 113 8.196 -3.889 -16.325 1.00 0.00 O ATOM 1828 CB LYS A 113 11.025 -2.532 -16.632 1.00 0.00 C ATOM 1829 CG LYS A 113 11.998 -3.543 -17.313 1.00 0.00 C ATOM 1830 CD LYS A 113 11.317 -4.614 -18.212 1.00 0.00 C ATOM 1831 CE LYS A 113 12.323 -5.584 -18.863 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.654 -6.689 -19.598 1.00 0.00 N ATOM 0 H LYS A 113 12.071 -3.586 -14.531 1.00 0.00 H new ATOM 0 HA LYS A 113 9.626 -2.162 -15.036 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.307 -2.204 -17.383 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.605 -1.656 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.712 -2.984 -17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.569 -4.053 -16.537 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.607 -5.184 -17.613 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.746 -4.114 -18.994 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.964 -5.031 -19.550 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.969 -6.004 -18.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.363 -7.393 -19.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.949 -7.140 -18.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.181 -6.308 -20.442 1.00 0.00 H new ATOM 1846 N GLU A 114 9.584 -5.372 -15.352 1.00 0.00 N ATOM 1847 CA GLU A 114 8.772 -6.553 -15.670 1.00 0.00 C ATOM 1848 C GLU A 114 7.658 -6.764 -14.626 1.00 0.00 C ATOM 1849 O GLU A 114 6.549 -7.213 -14.956 1.00 0.00 O ATOM 1850 CB GLU A 114 9.698 -7.801 -15.761 1.00 0.00 C ATOM 1851 CG GLU A 114 9.065 -9.028 -16.441 1.00 0.00 C ATOM 1852 CD GLU A 114 8.648 -8.748 -17.898 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.541 -8.542 -18.747 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.434 -8.727 -18.199 1.00 0.00 O ATOM 0 H GLU A 114 10.434 -5.582 -14.828 1.00 0.00 H new ATOM 0 HA GLU A 114 8.283 -6.399 -16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.601 -7.527 -16.307 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.007 -8.081 -14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.774 -9.855 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.191 -9.344 -15.871 1.00 0.00 H new ATOM 1861 N THR A 115 7.970 -6.435 -13.361 1.00 0.00 N ATOM 1862 CA THR A 115 7.097 -6.724 -12.210 1.00 0.00 C ATOM 1863 C THR A 115 6.301 -5.481 -11.755 1.00 0.00 C ATOM 1864 O THR A 115 5.068 -5.541 -11.606 1.00 0.00 O ATOM 1865 CB THR A 115 7.961 -7.291 -11.038 1.00 0.00 C ATOM 1866 OG1 THR A 115 8.749 -8.386 -11.528 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.127 -7.777 -9.848 1.00 0.00 C ATOM 0 H THR A 115 8.836 -5.960 -13.107 1.00 0.00 H new ATOM 0 HA THR A 115 6.362 -7.468 -12.517 1.00 0.00 H new ATOM 0 HB THR A 115 8.586 -6.473 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.581 -8.043 -11.916 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.790 -8.158 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.541 -6.948 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.456 -8.572 -10.174 1.00 0.00 H new ATOM 1875 N TRP A 116 7.013 -4.360 -11.541 1.00 0.00 N ATOM 1876 CA TRP A 116 6.432 -3.139 -10.937 1.00 0.00 C ATOM 1877 C TRP A 116 5.943 -2.158 -12.012 1.00 0.00 C ATOM 1878 O TRP A 116 4.750 -1.878 -12.117 1.00 0.00 O ATOM 1879 CB TRP A 116 7.479 -2.417 -10.040 1.00 0.00 C ATOM 1880 CG TRP A 116 8.244 -3.319 -9.103 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.600 -3.419 -8.997 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.706 -4.249 -8.151 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.932 -4.346 -8.049 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.790 -4.871 -7.522 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.413 -4.620 -7.773 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.626 -5.827 -6.541 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.256 -5.574 -6.793 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.357 -6.171 -6.188 1.00 0.00 C ATOM 0 H TRP A 116 8.001 -4.271 -11.779 1.00 0.00 H new ATOM 0 HA TRP A 116 5.582 -3.456 -10.332 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.190 -1.898 -10.683 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.968 -1.656 -9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.309 -2.848 -9.578 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.881 -4.603 -7.779 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.552 -4.166 -8.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.479 -6.289 -6.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.261 -5.864 -6.489 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.203 -6.920 -5.425 1.00 0.00 H new ATOM 1899 N LEU A 117 6.898 -1.680 -12.819 1.00 0.00 N ATOM 1900 CA LEU A 117 6.727 -0.493 -13.673 1.00 0.00 C ATOM 1901 C LEU A 117 5.807 -0.826 -14.868 1.00 0.00 C ATOM 1902 O LEU A 117 4.645 -0.398 -14.900 1.00 0.00 O ATOM 1903 CB LEU A 117 8.131 0.013 -14.129 1.00 0.00 C ATOM 1904 CG LEU A 117 9.257 0.000 -13.037 1.00 0.00 C ATOM 1905 CD1 LEU A 117 10.613 0.431 -13.613 1.00 0.00 C ATOM 1906 CD2 LEU A 117 8.888 0.844 -11.805 1.00 0.00 C ATOM 0 H LEU A 117 7.820 -2.108 -12.900 1.00 0.00 H new ATOM 0 HA LEU A 117 6.244 0.309 -13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.460 -0.599 -14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.025 1.032 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 117 9.349 -1.034 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.366 0.409 -12.826 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.903 -0.252 -14.412 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.534 1.443 -14.011 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.700 0.802 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.725 1.878 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.977 0.450 -11.354 1.00 0.00 H new