USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 175:sc= 0.236 USER MOD Set 1.2: A 80 MET CE :methyl 176:sc= -0.325 (180deg=-0.404) USER MOD Set 2.1: A 40 SER OG : rot 141:sc= -0.108 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.0996 K(o=-0.008,f=-13!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -9.17! C(o=-17!,f=-13!) USER MOD Set 3.2: A 56 ASN : amide:sc= -7.98! K(o=-17!,f=-4.9) USER MOD Set 4.1: A 2 SER OG : rot -130:sc= 0.213 USER MOD Set 4.2: A 5 LYS NZ :NH3+ -172:sc= 0.219 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -54:sc= 0.716 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -168:sc= -0.0475 (180deg=-0.239) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= 0.309 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -14:sc= 0.539! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0677 (180deg=-0.569) USER MOD Single : A 31 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.1) USER MOD Single : A 33 HIS : no HD1:sc= -12.6! C(o=-13!,f=-13!) USER MOD Single : A 42 GLN : amide:sc= -11.5! C(o=-11!,f=-6.9!) USER MOD Single : A 46 TYR OH : rot -166:sc= -0.78 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -101:sc= -0.822 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.763 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.301 (180deg=-1.21) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -3.97! C(o=-4!,f=-2.7!) USER MOD Single : A 64 MET CE :methyl -138:sc= -0.199 (180deg=-3.58!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -161:sc= -0.814 USER MOD Single : A 70 ASN : amide:sc= -0.0868 K(o=-0.087,f=-3.2!) USER MOD Single : A 71 HIS : no HD1:sc= -0.836! C(o=-0.84!,f=-4.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 150:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= -3.2! (180deg=-3.37!) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0438 (180deg=-0.593) USER MOD Single : A 92 ASN : amide:sc=-0.00702 K(o=-0.007,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 120:sc= -0.796 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -144:sc= -0.495 (180deg=-1.53!) USER MOD Single : A 102 THR OG1 : rot -120:sc= -0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 17.001 0.020 -3.585 1.00 0.00 N ATOM 2 CA THR A -5 16.385 0.270 -4.918 1.00 0.00 C ATOM 3 C THR A -5 15.494 -0.914 -5.298 1.00 0.00 C ATOM 4 O THR A -5 14.555 -0.777 -6.058 1.00 0.00 O ATOM 5 CB THR A -5 17.489 0.433 -5.967 1.00 0.00 C ATOM 6 OG1 THR A -5 18.044 1.737 -5.868 1.00 0.00 O ATOM 7 CG2 THR A -5 16.902 0.231 -7.364 1.00 0.00 C ATOM 0 H1 THR A -5 17.438 0.896 -3.235 1.00 0.00 H new ATOM 0 H2 THR A -5 16.268 -0.292 -2.917 1.00 0.00 H new ATOM 0 H3 THR A -5 17.728 -0.719 -3.672 1.00 0.00 H new ATOM 0 HA THR A -5 15.785 1.179 -4.876 1.00 0.00 H new ATOM 0 HB THR A -5 18.269 -0.309 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A -5 18.752 1.843 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A -5 17.689 0.347 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A -5 16.476 -0.770 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A -5 16.122 0.971 -7.541 1.00 0.00 H new ATOM 17 N GLU A -4 15.780 -2.075 -4.773 1.00 0.00 N ATOM 18 CA GLU A -4 14.951 -3.271 -5.100 1.00 0.00 C ATOM 19 C GLU A -4 14.118 -3.664 -3.878 1.00 0.00 C ATOM 20 O GLU A -4 14.488 -3.400 -2.751 1.00 0.00 O ATOM 21 CB GLU A -4 15.867 -4.435 -5.487 1.00 0.00 C ATOM 22 CG GLU A -4 16.695 -4.047 -6.713 1.00 0.00 C ATOM 23 CD GLU A -4 17.553 -5.237 -7.147 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.600 -6.209 -6.410 1.00 0.00 O ATOM 25 OE2 GLU A -4 18.149 -5.157 -8.209 1.00 0.00 O ATOM 0 H GLU A -4 16.553 -2.247 -4.131 1.00 0.00 H new ATOM 0 HA GLU A -4 14.287 -3.037 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.525 -4.686 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A -4 15.273 -5.323 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A -4 16.038 -3.743 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A -4 17.331 -3.193 -6.480 1.00 0.00 H new ATOM 32 N PHE A -3 12.995 -4.294 -4.093 1.00 0.00 N ATOM 33 CA PHE A -3 12.139 -4.703 -2.944 1.00 0.00 C ATOM 34 C PHE A -3 12.339 -6.192 -2.658 1.00 0.00 C ATOM 35 O PHE A -3 12.196 -7.026 -3.530 1.00 0.00 O ATOM 36 CB PHE A -3 10.671 -4.442 -3.287 1.00 0.00 C ATOM 37 CG PHE A -3 9.782 -5.315 -2.432 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.024 -5.438 -1.058 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.714 -6.005 -3.019 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.197 -6.250 -0.273 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.888 -6.817 -2.233 1.00 0.00 C ATOM 42 CZ PHE A -3 8.130 -6.940 -0.860 1.00 0.00 C ATOM 0 H PHE A -3 12.634 -4.543 -5.014 1.00 0.00 H new ATOM 0 HA PHE A -3 12.416 -4.126 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.431 -3.392 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.492 -4.648 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.848 -4.907 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.528 -5.911 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.382 -6.344 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.064 -7.348 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.494 -7.567 -0.253 1.00 0.00 H new ATOM 52 N LYS A -2 12.662 -6.530 -1.439 1.00 0.00 N ATOM 53 CA LYS A -2 12.866 -7.962 -1.086 1.00 0.00 C ATOM 54 C LYS A -2 11.701 -8.435 -0.217 1.00 0.00 C ATOM 55 O LYS A -2 11.220 -7.716 0.635 1.00 0.00 O ATOM 56 CB LYS A -2 14.178 -8.117 -0.313 1.00 0.00 C ATOM 57 CG LYS A -2 15.352 -7.729 -1.215 1.00 0.00 C ATOM 58 CD LYS A -2 16.668 -7.996 -0.483 1.00 0.00 C ATOM 59 CE LYS A -2 17.836 -7.499 -1.337 1.00 0.00 C ATOM 60 NZ LYS A -2 18.933 -8.508 -1.314 1.00 0.00 N ATOM 0 H LYS A -2 12.794 -5.873 -0.670 1.00 0.00 H new ATOM 0 HA LYS A -2 12.912 -8.561 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.165 -7.487 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.292 -9.146 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.317 -8.301 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.282 -6.676 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.669 -7.490 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.776 -9.062 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A -2 17.505 -7.329 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A -2 18.198 -6.544 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 19.727 -8.171 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 19.255 -8.649 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.583 -9.410 -1.696 1.00 0.00 H new ATOM 74 N ALA A -1 11.242 -9.638 -0.422 1.00 0.00 N ATOM 75 CA ALA A -1 10.106 -10.148 0.395 1.00 0.00 C ATOM 76 C ALA A -1 10.618 -10.586 1.767 1.00 0.00 C ATOM 77 O ALA A -1 11.081 -11.696 1.944 1.00 0.00 O ATOM 78 CB ALA A -1 9.461 -11.339 -0.312 1.00 0.00 C ATOM 0 H ALA A -1 11.604 -10.289 -1.119 1.00 0.00 H new ATOM 0 HA ALA A -1 9.367 -9.356 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.630 -11.711 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.093 -11.026 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.200 -12.130 -0.439 1.00 0.00 H new ATOM 84 N GLY A 1 10.533 -9.724 2.741 1.00 0.00 N ATOM 85 CA GLY A 1 11.009 -10.093 4.105 1.00 0.00 C ATOM 86 C GLY A 1 9.989 -11.026 4.756 1.00 0.00 C ATOM 87 O GLY A 1 9.676 -12.075 4.229 1.00 0.00 O ATOM 0 H GLY A 1 10.155 -8.781 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.981 -10.582 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.140 -9.197 4.712 1.00 0.00 H new ATOM 91 N SER A 2 9.464 -10.651 5.892 1.00 0.00 N ATOM 92 CA SER A 2 8.455 -11.515 6.571 1.00 0.00 C ATOM 93 C SER A 2 7.153 -10.731 6.743 1.00 0.00 C ATOM 94 O SER A 2 7.158 -9.575 7.119 1.00 0.00 O ATOM 95 CB SER A 2 8.984 -11.932 7.944 1.00 0.00 C ATOM 96 OG SER A 2 10.210 -12.632 7.782 1.00 0.00 O ATOM 0 H SER A 2 9.690 -9.784 6.379 1.00 0.00 H new ATOM 0 HA SER A 2 8.269 -12.404 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.134 -11.053 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.255 -12.564 8.451 1.00 0.00 H new ATOM 0 HG SER A 2 10.176 -13.472 8.286 1.00 0.00 H new ATOM 102 N ALA A 3 6.038 -11.351 6.476 1.00 0.00 N ATOM 103 CA ALA A 3 4.737 -10.640 6.628 1.00 0.00 C ATOM 104 C ALA A 3 4.426 -10.451 8.112 1.00 0.00 C ATOM 105 O ALA A 3 3.852 -9.459 8.516 1.00 0.00 O ATOM 106 CB ALA A 3 3.627 -11.466 5.975 1.00 0.00 C ATOM 0 H ALA A 3 5.971 -12.318 6.159 1.00 0.00 H new ATOM 0 HA ALA A 3 4.798 -9.665 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.675 -10.947 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.847 -11.599 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.567 -12.441 6.458 1.00 0.00 H new ATOM 112 N LYS A 4 4.790 -11.403 8.927 1.00 0.00 N ATOM 113 CA LYS A 4 4.507 -11.292 10.382 1.00 0.00 C ATOM 114 C LYS A 4 5.194 -10.052 10.942 1.00 0.00 C ATOM 115 O LYS A 4 4.600 -9.258 11.643 1.00 0.00 O ATOM 116 CB LYS A 4 5.068 -12.523 11.086 1.00 0.00 C ATOM 117 CG LYS A 4 4.523 -13.776 10.413 1.00 0.00 C ATOM 118 CD LYS A 4 5.068 -15.020 11.122 1.00 0.00 C ATOM 119 CE LYS A 4 4.487 -15.102 12.536 1.00 0.00 C ATOM 120 NZ LYS A 4 4.499 -16.519 12.995 1.00 0.00 N ATOM 0 H LYS A 4 5.273 -12.256 8.644 1.00 0.00 H new ATOM 0 HA LYS A 4 3.431 -11.219 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.157 -12.517 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.791 -12.512 12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.434 -13.774 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.809 -13.790 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.807 -15.916 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.156 -14.978 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.071 -14.483 13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.469 -14.714 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.105 -16.576 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.924 -17.098 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.477 -16.874 13.001 1.00 0.00 H new ATOM 134 N LYS A 5 6.447 -9.892 10.640 1.00 0.00 N ATOM 135 CA LYS A 5 7.193 -8.712 11.156 1.00 0.00 C ATOM 136 C LYS A 5 6.550 -7.424 10.639 1.00 0.00 C ATOM 137 O LYS A 5 6.314 -6.497 11.387 1.00 0.00 O ATOM 138 CB LYS A 5 8.643 -8.788 10.677 1.00 0.00 C ATOM 139 CG LYS A 5 9.321 -10.012 11.295 1.00 0.00 C ATOM 140 CD LYS A 5 10.802 -10.023 10.912 1.00 0.00 C ATOM 141 CE LYS A 5 11.454 -11.306 11.431 1.00 0.00 C ATOM 142 NZ LYS A 5 12.057 -12.052 10.291 1.00 0.00 N ATOM 0 H LYS A 5 6.991 -10.528 10.057 1.00 0.00 H new ATOM 0 HA LYS A 5 7.164 -8.711 12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.675 -8.852 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.178 -7.881 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.215 -9.991 12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.837 -10.924 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.909 -9.961 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.304 -9.152 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.220 -11.065 12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.712 -11.926 11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.380 -12.985 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.346 -12.175 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.866 -11.518 9.916 1.00 0.00 H new ATOM 156 N GLY A 6 6.258 -7.358 9.368 1.00 0.00 N ATOM 157 CA GLY A 6 5.624 -6.124 8.822 1.00 0.00 C ATOM 158 C GLY A 6 4.209 -5.995 9.381 1.00 0.00 C ATOM 159 O GLY A 6 3.721 -4.908 9.609 1.00 0.00 O ATOM 0 H GLY A 6 6.429 -8.099 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.215 -5.248 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.595 -6.167 7.733 1.00 0.00 H new ATOM 163 N ALA A 7 3.543 -7.097 9.603 1.00 0.00 N ATOM 164 CA ALA A 7 2.159 -7.025 10.149 1.00 0.00 C ATOM 165 C ALA A 7 2.186 -6.227 11.450 1.00 0.00 C ATOM 166 O ALA A 7 1.334 -5.398 11.702 1.00 0.00 O ATOM 167 CB ALA A 7 1.641 -8.439 10.426 1.00 0.00 C ATOM 0 H ALA A 7 3.896 -8.038 9.431 1.00 0.00 H new ATOM 0 HA ALA A 7 1.501 -6.539 9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.628 -8.384 10.825 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.635 -9.012 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.291 -8.929 11.151 1.00 0.00 H new ATOM 173 N THR A 8 3.175 -6.453 12.268 1.00 0.00 N ATOM 174 CA THR A 8 3.275 -5.690 13.539 1.00 0.00 C ATOM 175 C THR A 8 3.520 -4.227 13.192 1.00 0.00 C ATOM 176 O THR A 8 2.912 -3.327 13.737 1.00 0.00 O ATOM 177 CB THR A 8 4.461 -6.221 14.342 1.00 0.00 C ATOM 178 OG1 THR A 8 5.665 -5.951 13.637 1.00 0.00 O ATOM 179 CG2 THR A 8 4.312 -7.728 14.537 1.00 0.00 C ATOM 0 H THR A 8 3.918 -7.134 12.110 1.00 0.00 H new ATOM 0 HA THR A 8 2.361 -5.794 14.124 1.00 0.00 H new ATOM 0 HB THR A 8 4.490 -5.732 15.316 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.602 -6.316 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.159 -8.106 15.110 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.387 -7.936 15.076 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.283 -8.220 13.565 1.00 0.00 H new ATOM 187 N LEU A 9 4.403 -3.999 12.267 1.00 0.00 N ATOM 188 CA LEU A 9 4.711 -2.613 11.833 1.00 0.00 C ATOM 189 C LEU A 9 3.451 -1.971 11.251 1.00 0.00 C ATOM 190 O LEU A 9 3.126 -0.837 11.537 1.00 0.00 O ATOM 191 CB LEU A 9 5.789 -2.676 10.754 1.00 0.00 C ATOM 192 CG LEU A 9 7.074 -3.269 11.338 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.165 -3.250 10.274 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.535 -2.439 12.540 1.00 0.00 C ATOM 0 H LEU A 9 4.933 -4.726 11.786 1.00 0.00 H new ATOM 0 HA LEU A 9 5.058 -2.022 12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.444 -3.284 9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.984 -1.677 10.363 1.00 0.00 H new ATOM 0 HG LEU A 9 6.881 -4.293 11.659 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.082 -3.671 10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.847 -3.842 9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.348 -2.223 9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.450 -2.868 12.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.725 -1.414 12.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.758 -2.444 13.305 1.00 0.00 H new ATOM 206 N PHE A 10 2.740 -2.700 10.441 1.00 0.00 N ATOM 207 CA PHE A 10 1.494 -2.160 9.828 1.00 0.00 C ATOM 208 C PHE A 10 0.490 -1.830 10.934 1.00 0.00 C ATOM 209 O PHE A 10 -0.144 -0.793 10.929 1.00 0.00 O ATOM 210 CB PHE A 10 0.908 -3.231 8.900 1.00 0.00 C ATOM 211 CG PHE A 10 -0.238 -2.667 8.093 1.00 0.00 C ATOM 212 CD1 PHE A 10 0.010 -2.077 6.848 1.00 0.00 C ATOM 213 CD2 PHE A 10 -1.549 -2.750 8.578 1.00 0.00 C ATOM 214 CE1 PHE A 10 -1.051 -1.565 6.091 1.00 0.00 C ATOM 215 CE2 PHE A 10 -2.611 -2.241 7.820 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.362 -1.647 6.575 1.00 0.00 C ATOM 0 H PHE A 10 2.970 -3.657 10.174 1.00 0.00 H new ATOM 0 HA PHE A 10 1.711 -1.255 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.683 -3.603 8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.562 -4.080 9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.020 -2.017 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.741 -3.207 9.537 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.858 -1.106 5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.622 -2.306 8.195 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.180 -1.253 5.990 1.00 0.00 H new ATOM 226 N LYS A 11 0.336 -2.718 11.877 1.00 0.00 N ATOM 227 CA LYS A 11 -0.629 -2.487 12.987 1.00 0.00 C ATOM 228 C LYS A 11 -0.222 -1.270 13.826 1.00 0.00 C ATOM 229 O LYS A 11 -1.060 -0.542 14.316 1.00 0.00 O ATOM 230 CB LYS A 11 -0.671 -3.725 13.885 1.00 0.00 C ATOM 231 CG LYS A 11 -1.757 -3.549 14.949 1.00 0.00 C ATOM 232 CD LYS A 11 -1.756 -4.758 15.885 1.00 0.00 C ATOM 233 CE LYS A 11 -2.938 -4.657 16.852 1.00 0.00 C ATOM 234 NZ LYS A 11 -4.143 -5.274 16.230 1.00 0.00 N ATOM 0 H LYS A 11 0.843 -3.602 11.926 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.612 -2.298 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.873 -4.614 13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.298 -3.875 14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.579 -2.636 15.517 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.733 -3.444 14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.824 -5.679 15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.820 -4.799 16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.700 -5.162 17.788 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.135 -3.613 17.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.946 -5.206 16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.373 -4.773 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.952 -6.275 16.020 1.00 0.00 H new ATOM 248 N THR A 12 1.049 -1.059 14.027 1.00 0.00 N ATOM 249 CA THR A 12 1.482 0.096 14.871 1.00 0.00 C ATOM 250 C THR A 12 1.894 1.293 14.009 1.00 0.00 C ATOM 251 O THR A 12 2.251 2.333 14.525 1.00 0.00 O ATOM 252 CB THR A 12 2.670 -0.331 15.736 1.00 0.00 C ATOM 253 OG1 THR A 12 3.779 -0.633 14.901 1.00 0.00 O ATOM 254 CG2 THR A 12 2.290 -1.569 16.551 1.00 0.00 C ATOM 0 H THR A 12 1.804 -1.630 13.648 1.00 0.00 H new ATOM 0 HA THR A 12 0.641 0.397 15.496 1.00 0.00 H new ATOM 0 HB THR A 12 2.937 0.480 16.414 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.622 -1.486 14.445 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.136 -1.873 17.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.440 -1.336 17.192 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.023 -2.381 15.875 1.00 0.00 H new ATOM 262 N ARG A 13 1.861 1.170 12.711 1.00 0.00 N ATOM 263 CA ARG A 13 2.266 2.326 11.860 1.00 0.00 C ATOM 264 C ARG A 13 1.372 2.420 10.625 1.00 0.00 C ATOM 265 O ARG A 13 1.664 3.152 9.700 1.00 0.00 O ATOM 266 CB ARG A 13 3.718 2.144 11.417 1.00 0.00 C ATOM 267 CG ARG A 13 4.621 2.082 12.650 1.00 0.00 C ATOM 268 CD ARG A 13 6.087 2.077 12.211 1.00 0.00 C ATOM 269 NE ARG A 13 6.957 1.812 13.390 1.00 0.00 N ATOM 270 CZ ARG A 13 8.215 2.158 13.364 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.710 2.737 12.304 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.979 1.926 14.396 1.00 0.00 N ATOM 0 H ARG A 13 1.575 0.331 12.207 1.00 0.00 H new ATOM 0 HA ARG A 13 2.164 3.243 12.441 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.819 1.230 10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.020 2.970 10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.428 2.937 13.298 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.401 1.186 13.230 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.247 1.314 11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.347 3.036 11.762 1.00 0.00 H new ATOM 0 HE ARG A 13 6.570 1.360 14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.114 2.919 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.693 3.008 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.593 1.474 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.962 2.197 14.374 1.00 0.00 H new ATOM 286 N CYS A 14 0.299 1.681 10.583 1.00 0.00 N ATOM 287 CA CYS A 14 -0.578 1.740 9.381 1.00 0.00 C ATOM 288 C CYS A 14 -1.859 0.940 9.625 1.00 0.00 C ATOM 289 O CYS A 14 -2.039 -0.134 9.095 1.00 0.00 O ATOM 290 CB CYS A 14 0.193 1.141 8.205 1.00 0.00 C ATOM 291 SG CYS A 14 -0.439 1.797 6.641 1.00 0.00 S ATOM 0 H CYS A 14 -0.006 1.045 11.320 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.855 2.772 9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.254 1.371 8.302 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.100 0.055 8.216 1.00 0.00 H new ATOM 296 N LEU A 15 -2.753 1.462 10.419 1.00 0.00 N ATOM 297 CA LEU A 15 -4.027 0.736 10.685 1.00 0.00 C ATOM 298 C LEU A 15 -5.163 1.748 10.835 1.00 0.00 C ATOM 299 O LEU A 15 -6.285 1.495 10.453 1.00 0.00 O ATOM 300 CB LEU A 15 -3.903 -0.094 11.968 1.00 0.00 C ATOM 301 CG LEU A 15 -3.627 0.811 13.173 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.632 -0.032 14.448 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.261 1.484 13.019 1.00 0.00 C ATOM 0 H LEU A 15 -2.657 2.359 10.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.239 0.066 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.821 -0.658 12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.098 -0.821 11.861 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.400 1.577 13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.436 0.608 15.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.605 -0.509 14.565 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.859 -0.797 14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.072 2.126 13.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.485 0.721 12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.252 2.085 12.110 1.00 0.00 H new ATOM 315 N GLN A 16 -4.876 2.894 11.385 1.00 0.00 N ATOM 316 CA GLN A 16 -5.934 3.927 11.558 1.00 0.00 C ATOM 317 C GLN A 16 -6.499 4.314 10.191 1.00 0.00 C ATOM 318 O GLN A 16 -7.654 4.666 10.062 1.00 0.00 O ATOM 319 CB GLN A 16 -5.330 5.164 12.227 1.00 0.00 C ATOM 320 CG GLN A 16 -4.233 5.747 11.331 1.00 0.00 C ATOM 321 CD GLN A 16 -3.615 6.968 12.012 1.00 0.00 C ATOM 322 OE1 GLN A 16 -2.754 6.835 12.859 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.019 8.163 11.674 1.00 0.00 N ATOM 0 H GLN A 16 -3.951 3.161 11.723 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.734 3.527 12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.105 5.910 12.403 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.916 4.899 13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.466 4.996 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.650 6.029 10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.742 8.275 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.612 8.984 12.121 1.00 0.00 H new ATOM 332 N CYS A 17 -5.689 4.265 9.171 1.00 0.00 N ATOM 333 CA CYS A 17 -6.172 4.645 7.815 1.00 0.00 C ATOM 334 C CYS A 17 -6.709 3.418 7.082 1.00 0.00 C ATOM 335 O CYS A 17 -7.884 3.109 7.132 1.00 0.00 O ATOM 336 CB CYS A 17 -5.011 5.214 7.005 1.00 0.00 C ATOM 337 SG CYS A 17 -4.639 6.892 7.558 1.00 0.00 S ATOM 0 H CYS A 17 -4.711 3.978 9.218 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.964 5.386 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.131 4.581 7.120 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.264 5.219 5.945 1.00 0.00 H new ATOM 342 N HIS A 18 -5.850 2.728 6.387 1.00 0.00 N ATOM 343 CA HIS A 18 -6.290 1.526 5.628 1.00 0.00 C ATOM 344 C HIS A 18 -7.052 0.579 6.555 1.00 0.00 C ATOM 345 O HIS A 18 -8.002 -0.061 6.151 1.00 0.00 O ATOM 346 CB HIS A 18 -5.065 0.816 5.044 1.00 0.00 C ATOM 347 CG HIS A 18 -4.521 1.620 3.895 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.105 1.594 2.635 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.450 2.473 3.793 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.390 2.408 1.836 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.375 2.962 2.495 1.00 0.00 N ATOM 0 H HIS A 18 -4.856 2.946 6.312 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.950 1.830 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.301 0.695 5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.337 -0.184 4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.928 1.055 2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.772 2.724 4.596 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.611 2.588 0.794 1.00 0.00 H new ATOM 359 N THR A 19 -6.648 0.482 7.791 1.00 0.00 N ATOM 360 CA THR A 19 -7.358 -0.429 8.733 1.00 0.00 C ATOM 361 C THR A 19 -7.671 -1.743 8.022 1.00 0.00 C ATOM 362 O THR A 19 -8.812 -2.148 7.920 1.00 0.00 O ATOM 363 CB THR A 19 -8.672 0.212 9.189 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.426 1.534 9.649 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.274 -0.623 10.319 1.00 0.00 C ATOM 0 H THR A 19 -5.860 0.992 8.189 1.00 0.00 H new ATOM 0 HA THR A 19 -6.723 -0.612 9.600 1.00 0.00 H new ATOM 0 HB THR A 19 -9.369 0.250 8.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.464 1.659 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.210 -0.170 10.647 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.466 -1.635 9.961 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.576 -0.660 11.156 1.00 0.00 H new ATOM 373 N VAL A 20 -6.674 -2.411 7.518 1.00 0.00 N ATOM 374 CA VAL A 20 -6.931 -3.688 6.805 1.00 0.00 C ATOM 375 C VAL A 20 -7.755 -4.621 7.695 1.00 0.00 C ATOM 376 O VAL A 20 -8.774 -5.136 7.280 1.00 0.00 O ATOM 377 CB VAL A 20 -5.596 -4.349 6.472 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.831 -5.785 6.008 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.904 -3.566 5.355 1.00 0.00 C ATOM 0 H VAL A 20 -5.695 -2.128 7.569 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.485 -3.489 5.887 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.967 -4.354 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.875 -6.252 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.323 -6.348 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.463 -5.782 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.951 -4.038 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.538 -3.560 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.730 -2.541 5.683 1.00 0.00 H new ATOM 389 N GLU A 21 -7.329 -4.818 8.920 1.00 0.00 N ATOM 390 CA GLU A 21 -8.073 -5.711 9.866 1.00 0.00 C ATOM 391 C GLU A 21 -8.740 -6.867 9.110 1.00 0.00 C ATOM 392 O GLU A 21 -9.721 -7.422 9.558 1.00 0.00 O ATOM 393 CB GLU A 21 -9.136 -4.896 10.602 1.00 0.00 C ATOM 394 CG GLU A 21 -8.454 -3.964 11.605 1.00 0.00 C ATOM 395 CD GLU A 21 -9.513 -3.146 12.347 1.00 0.00 C ATOM 396 OE1 GLU A 21 -10.665 -3.207 11.951 1.00 0.00 O ATOM 397 OE2 GLU A 21 -9.153 -2.472 13.297 1.00 0.00 O ATOM 0 H GLU A 21 -6.487 -4.393 9.309 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.366 -6.130 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.723 -4.316 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.828 -5.561 11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.865 -4.545 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.763 -3.299 11.087 1.00 0.00 H new ATOM 404 N LYS A 22 -8.213 -7.230 7.969 1.00 0.00 N ATOM 405 CA LYS A 22 -8.812 -8.344 7.176 1.00 0.00 C ATOM 406 C LYS A 22 -10.305 -8.095 6.951 1.00 0.00 C ATOM 407 O LYS A 22 -11.092 -8.064 7.875 1.00 0.00 O ATOM 408 CB LYS A 22 -8.618 -9.669 7.907 1.00 0.00 C ATOM 409 CG LYS A 22 -7.133 -10.024 7.926 1.00 0.00 C ATOM 410 CD LYS A 22 -6.977 -11.506 8.257 1.00 0.00 C ATOM 411 CE LYS A 22 -7.457 -11.768 9.686 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.524 -12.716 10.357 1.00 0.00 N ATOM 0 H LYS A 22 -7.388 -6.800 7.551 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.311 -8.389 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.999 -9.594 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.185 -10.457 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.682 -9.806 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.611 -9.417 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.552 -12.108 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.934 -11.804 8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.504 -10.832 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.465 -12.182 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.850 -12.895 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.501 -13.612 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.569 -12.304 10.382 1.00 0.00 H new ATOM 426 N GLY A 23 -10.699 -7.934 5.719 1.00 0.00 N ATOM 427 CA GLY A 23 -12.140 -7.695 5.413 1.00 0.00 C ATOM 428 C GLY A 23 -12.747 -6.758 6.461 1.00 0.00 C ATOM 429 O GLY A 23 -13.527 -7.172 7.296 1.00 0.00 O ATOM 0 H GLY A 23 -10.083 -7.957 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.242 -7.258 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.680 -8.642 5.402 1.00 0.00 H new ATOM 433 N GLY A 24 -12.393 -5.500 6.428 1.00 0.00 N ATOM 434 CA GLY A 24 -12.947 -4.540 7.427 1.00 0.00 C ATOM 435 C GLY A 24 -13.441 -3.278 6.714 1.00 0.00 C ATOM 436 O GLY A 24 -13.181 -3.071 5.546 1.00 0.00 O ATOM 0 H GLY A 24 -11.744 -5.096 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.767 -5.004 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.182 -4.280 8.158 1.00 0.00 H new ATOM 440 N PRO A 25 -14.149 -2.442 7.426 1.00 0.00 N ATOM 441 CA PRO A 25 -14.698 -1.167 6.876 1.00 0.00 C ATOM 442 C PRO A 25 -13.600 -0.276 6.289 1.00 0.00 C ATOM 443 O PRO A 25 -12.440 -0.406 6.628 1.00 0.00 O ATOM 444 CB PRO A 25 -15.358 -0.482 8.081 1.00 0.00 C ATOM 445 CG PRO A 25 -14.872 -1.212 9.292 1.00 0.00 C ATOM 446 CD PRO A 25 -14.501 -2.620 8.837 1.00 0.00 C ATOM 0 HA PRO A 25 -15.394 -1.352 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.086 0.573 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.445 -0.528 8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.010 -0.707 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.645 -1.245 10.060 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.666 -3.020 9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.333 -3.313 8.959 1.00 0.00 H new ATOM 454 N HIS A 26 -13.951 0.622 5.409 1.00 0.00 N ATOM 455 CA HIS A 26 -12.918 1.509 4.803 1.00 0.00 C ATOM 456 C HIS A 26 -12.990 2.900 5.430 1.00 0.00 C ATOM 457 O HIS A 26 -14.055 3.422 5.690 1.00 0.00 O ATOM 458 CB HIS A 26 -13.163 1.643 3.300 1.00 0.00 C ATOM 459 CG HIS A 26 -13.295 0.280 2.677 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.226 -0.359 2.066 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.363 -0.575 2.557 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.670 -1.546 1.609 1.00 0.00 C ATOM 463 NE2 HIS A 26 -13.963 -1.724 1.884 1.00 0.00 N ATOM 0 H HIS A 26 -14.905 0.779 5.084 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.937 1.070 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.068 2.223 3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.340 2.186 2.836 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.359 -0.384 2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.056 -2.264 1.085 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.538 -2.533 1.650 1.00 0.00 H new ATOM 472 N LYS A 27 -11.857 3.507 5.656 1.00 0.00 N ATOM 473 CA LYS A 27 -11.837 4.873 6.246 1.00 0.00 C ATOM 474 C LYS A 27 -11.267 5.839 5.205 1.00 0.00 C ATOM 475 O LYS A 27 -11.645 5.806 4.050 1.00 0.00 O ATOM 476 CB LYS A 27 -10.958 4.874 7.500 1.00 0.00 C ATOM 477 CG LYS A 27 -11.575 3.948 8.549 1.00 0.00 C ATOM 478 CD LYS A 27 -10.763 4.027 9.843 1.00 0.00 C ATOM 479 CE LYS A 27 -11.315 3.022 10.855 1.00 0.00 C ATOM 480 NZ LYS A 27 -12.752 3.319 11.118 1.00 0.00 N ATOM 0 H LYS A 27 -10.939 3.111 5.455 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.845 5.182 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.950 4.541 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.871 5.886 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.609 4.235 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.591 2.923 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.713 3.815 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.811 5.036 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.207 2.007 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.746 3.075 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.050 2.843 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.881 4.346 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.329 2.975 10.324 1.00 0.00 H new ATOM 494 N VAL A 28 -10.358 6.691 5.588 1.00 0.00 N ATOM 495 CA VAL A 28 -9.776 7.638 4.595 1.00 0.00 C ATOM 496 C VAL A 28 -9.099 6.839 3.482 1.00 0.00 C ATOM 497 O VAL A 28 -9.182 7.185 2.319 1.00 0.00 O ATOM 498 CB VAL A 28 -8.739 8.532 5.278 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.001 9.355 4.221 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.441 9.474 6.255 1.00 0.00 C ATOM 0 H VAL A 28 -9.995 6.773 6.538 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.568 8.260 4.178 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.026 7.911 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.262 9.992 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.499 8.685 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.715 9.975 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.702 10.111 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.154 10.095 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.968 8.889 7.009 1.00 0.00 H new ATOM 510 N GLY A 29 -8.433 5.772 3.831 1.00 0.00 N ATOM 511 CA GLY A 29 -7.751 4.945 2.799 1.00 0.00 C ATOM 512 C GLY A 29 -8.474 3.601 2.663 1.00 0.00 C ATOM 513 O GLY A 29 -9.144 3.155 3.574 1.00 0.00 O ATOM 0 H GLY A 29 -8.332 5.438 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.748 5.467 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.709 4.783 3.077 1.00 0.00 H new ATOM 517 N PRO A 30 -8.342 2.965 1.529 1.00 0.00 N ATOM 518 CA PRO A 30 -8.995 1.649 1.259 1.00 0.00 C ATOM 519 C PRO A 30 -8.511 0.549 2.205 1.00 0.00 C ATOM 520 O PRO A 30 -7.409 0.592 2.714 1.00 0.00 O ATOM 521 CB PRO A 30 -8.603 1.316 -0.184 1.00 0.00 C ATOM 522 CG PRO A 30 -7.436 2.192 -0.506 1.00 0.00 C ATOM 523 CD PRO A 30 -7.554 3.429 0.381 1.00 0.00 C ATOM 0 HA PRO A 30 -10.073 1.708 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.340 0.263 -0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.432 1.503 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.498 1.670 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.441 2.470 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.575 3.794 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.050 4.248 -0.139 1.00 0.00 H new ATOM 531 N ASN A 31 -9.323 -0.447 2.432 1.00 0.00 N ATOM 532 CA ASN A 31 -8.908 -1.558 3.330 1.00 0.00 C ATOM 533 C ASN A 31 -7.548 -2.079 2.868 1.00 0.00 C ATOM 534 O ASN A 31 -6.885 -2.822 3.563 1.00 0.00 O ATOM 535 CB ASN A 31 -9.940 -2.686 3.263 1.00 0.00 C ATOM 536 CG ASN A 31 -9.724 -3.648 4.433 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.766 -3.247 5.580 1.00 0.00 O ATOM 538 ND2 ASN A 31 -9.492 -4.908 4.192 1.00 0.00 N ATOM 0 H ASN A 31 -10.257 -0.538 2.033 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.840 -1.200 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.948 -2.273 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.849 -3.221 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.346 -5.557 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.457 -5.245 3.230 1.00 0.00 H new ATOM 545 N LEU A 32 -7.141 -1.697 1.688 1.00 0.00 N ATOM 546 CA LEU A 32 -5.831 -2.161 1.147 1.00 0.00 C ATOM 547 C LEU A 32 -5.872 -3.678 0.989 1.00 0.00 C ATOM 548 O LEU A 32 -4.955 -4.386 1.352 1.00 0.00 O ATOM 549 CB LEU A 32 -4.698 -1.743 2.103 1.00 0.00 C ATOM 550 CG LEU A 32 -3.325 -1.931 1.443 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.262 -1.146 0.139 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.242 -1.385 2.370 1.00 0.00 C ATOM 0 H LEU A 32 -7.665 -1.078 1.070 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.643 -1.706 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.827 -0.700 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.751 -2.335 3.016 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.172 -2.993 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.284 -1.285 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.037 -1.503 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.419 -0.087 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.265 -1.517 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.418 -0.325 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.268 -1.924 3.317 1.00 0.00 H new ATOM 564 N HIS A 33 -6.947 -4.174 0.441 1.00 0.00 N ATOM 565 CA HIS A 33 -7.088 -5.640 0.238 1.00 0.00 C ATOM 566 C HIS A 33 -7.473 -5.912 -1.218 1.00 0.00 C ATOM 567 O HIS A 33 -7.471 -7.040 -1.667 1.00 0.00 O ATOM 568 CB HIS A 33 -8.190 -6.167 1.158 1.00 0.00 C ATOM 569 CG HIS A 33 -7.624 -7.202 2.087 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.718 -6.883 3.089 1.00 0.00 N ATOM 571 CD2 HIS A 33 -7.830 -8.554 2.183 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.416 -8.022 3.739 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.067 -9.068 3.224 1.00 0.00 N ATOM 0 H HIS A 33 -7.741 -3.619 0.123 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.146 -6.138 0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.621 -5.347 1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.996 -6.599 0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.485 -9.131 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.732 -8.083 4.573 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.015 -10.040 3.530 1.00 0.00 H new ATOM 582 N GLY A 34 -7.820 -4.884 -1.951 1.00 0.00 N ATOM 583 CA GLY A 34 -8.227 -5.082 -3.377 1.00 0.00 C ATOM 584 C GLY A 34 -7.339 -4.259 -4.317 1.00 0.00 C ATOM 585 O GLY A 34 -7.540 -4.250 -5.515 1.00 0.00 O ATOM 0 H GLY A 34 -7.839 -3.918 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.157 -6.138 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.269 -4.790 -3.506 1.00 0.00 H new ATOM 589 N ILE A 35 -6.358 -3.570 -3.799 1.00 0.00 N ATOM 590 CA ILE A 35 -5.476 -2.762 -4.694 1.00 0.00 C ATOM 591 C ILE A 35 -4.867 -3.675 -5.758 1.00 0.00 C ATOM 592 O ILE A 35 -4.619 -3.258 -6.870 1.00 0.00 O ATOM 593 CB ILE A 35 -4.367 -2.086 -3.862 1.00 0.00 C ATOM 594 CG1 ILE A 35 -4.997 -1.007 -2.969 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.311 -1.431 -4.771 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.955 0.063 -2.637 1.00 0.00 C ATOM 0 H ILE A 35 -6.129 -3.530 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.061 -1.985 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.877 -2.848 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.849 -0.554 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.375 -1.457 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.542 -0.963 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.855 -2.191 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.787 -0.675 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.407 0.826 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.117 -0.396 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.598 0.522 -3.559 1.00 0.00 H new ATOM 608 N PHE A 36 -4.619 -4.911 -5.435 1.00 0.00 N ATOM 609 CA PHE A 36 -4.017 -5.822 -6.446 1.00 0.00 C ATOM 610 C PHE A 36 -5.128 -6.540 -7.215 1.00 0.00 C ATOM 611 O PHE A 36 -6.015 -7.138 -6.641 1.00 0.00 O ATOM 612 CB PHE A 36 -3.126 -6.844 -5.738 1.00 0.00 C ATOM 613 CG PHE A 36 -2.021 -6.112 -5.018 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.857 -5.748 -5.704 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.164 -5.788 -3.663 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.165 -5.060 -5.037 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.145 -5.099 -2.996 1.00 0.00 C ATOM 618 CZ PHE A 36 0.019 -4.735 -3.682 1.00 0.00 C ATOM 0 H PHE A 36 -4.805 -5.328 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.415 -5.245 -7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.713 -7.430 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.706 -7.543 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.746 -5.998 -6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.061 -6.070 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.064 -4.781 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.257 -4.848 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.805 -4.203 -3.167 1.00 0.00 H new ATOM 628 N GLY A 37 -5.083 -6.471 -8.517 1.00 0.00 N ATOM 629 CA GLY A 37 -6.128 -7.133 -9.347 1.00 0.00 C ATOM 630 C GLY A 37 -5.837 -6.852 -10.821 1.00 0.00 C ATOM 631 O GLY A 37 -4.771 -6.387 -11.171 1.00 0.00 O ATOM 0 H GLY A 37 -4.361 -5.980 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.133 -8.207 -9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.116 -6.759 -9.079 1.00 0.00 H new ATOM 635 N ARG A 38 -6.768 -7.127 -11.693 1.00 0.00 N ATOM 636 CA ARG A 38 -6.517 -6.867 -13.138 1.00 0.00 C ATOM 637 C ARG A 38 -6.115 -5.401 -13.335 1.00 0.00 C ATOM 638 O ARG A 38 -5.153 -5.104 -14.012 1.00 0.00 O ATOM 639 CB ARG A 38 -7.778 -7.170 -13.956 1.00 0.00 C ATOM 640 CG ARG A 38 -9.009 -6.534 -13.294 1.00 0.00 C ATOM 641 CD ARG A 38 -9.587 -5.450 -14.208 1.00 0.00 C ATOM 642 NE ARG A 38 -10.928 -5.040 -13.704 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.981 -5.750 -14.000 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.861 -6.819 -14.738 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.155 -5.391 -13.558 1.00 0.00 N ATOM 0 H ARG A 38 -7.684 -7.517 -11.470 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.709 -7.515 -13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.663 -6.786 -14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.917 -8.248 -14.037 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.762 -7.297 -13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.734 -6.102 -12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.919 -4.589 -14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.669 -5.825 -15.228 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.022 -4.204 -13.127 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.943 -7.100 -15.084 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.685 -7.374 -14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.249 -4.555 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.979 -5.946 -13.789 1.00 0.00 H new ATOM 659 N HIS A 39 -6.832 -4.485 -12.738 1.00 0.00 N ATOM 660 CA HIS A 39 -6.476 -3.041 -12.881 1.00 0.00 C ATOM 661 C HIS A 39 -6.571 -2.365 -11.513 1.00 0.00 C ATOM 662 O HIS A 39 -7.212 -2.864 -10.610 1.00 0.00 O ATOM 663 CB HIS A 39 -7.445 -2.353 -13.849 1.00 0.00 C ATOM 664 CG HIS A 39 -7.299 -2.950 -15.222 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.384 -3.121 -16.073 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.206 -3.418 -15.909 1.00 0.00 C ATOM 667 CE1 HIS A 39 -7.922 -3.673 -17.211 1.00 0.00 C ATOM 668 NE2 HIS A 39 -6.605 -3.873 -17.161 1.00 0.00 N ATOM 0 H HIS A 39 -7.649 -4.674 -12.157 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.462 -2.959 -13.271 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.470 -2.471 -13.498 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.241 -1.283 -13.884 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.193 -3.431 -15.535 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.542 -3.923 -18.059 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.014 -4.275 -17.888 1.00 0.00 H new ATOM 677 N SER A 40 -5.939 -1.234 -11.346 1.00 0.00 N ATOM 678 CA SER A 40 -6.003 -0.541 -10.032 1.00 0.00 C ATOM 679 C SER A 40 -7.398 0.042 -9.814 1.00 0.00 C ATOM 680 O SER A 40 -8.208 0.103 -10.716 1.00 0.00 O ATOM 681 CB SER A 40 -4.976 0.585 -9.996 1.00 0.00 C ATOM 682 OG SER A 40 -5.256 1.506 -11.041 1.00 0.00 O ATOM 0 H SER A 40 -5.384 -0.764 -12.061 1.00 0.00 H new ATOM 0 HA SER A 40 -5.787 -1.261 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.007 1.091 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.971 0.180 -10.111 1.00 0.00 H new ATOM 0 HG SER A 40 -5.107 2.420 -10.720 1.00 0.00 H new ATOM 688 N GLY A 41 -7.679 0.471 -8.614 1.00 0.00 N ATOM 689 CA GLY A 41 -9.019 1.052 -8.325 1.00 0.00 C ATOM 690 C GLY A 41 -10.049 -0.071 -8.234 1.00 0.00 C ATOM 691 O GLY A 41 -10.972 -0.143 -9.021 1.00 0.00 O ATOM 0 H GLY A 41 -7.038 0.444 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.991 1.612 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.300 1.755 -9.109 1.00 0.00 H new ATOM 695 N GLN A 42 -9.895 -0.959 -7.290 1.00 0.00 N ATOM 696 CA GLN A 42 -10.864 -2.086 -7.170 1.00 0.00 C ATOM 697 C GLN A 42 -11.112 -2.404 -5.688 1.00 0.00 C ATOM 698 O GLN A 42 -10.616 -3.381 -5.161 1.00 0.00 O ATOM 699 CB GLN A 42 -10.287 -3.326 -7.878 1.00 0.00 C ATOM 700 CG GLN A 42 -11.016 -3.582 -9.207 1.00 0.00 C ATOM 701 CD GLN A 42 -10.553 -2.579 -10.270 1.00 0.00 C ATOM 702 OE1 GLN A 42 -11.141 -2.491 -11.328 1.00 0.00 O ATOM 703 NE2 GLN A 42 -9.521 -1.814 -10.037 1.00 0.00 N ATOM 0 H GLN A 42 -9.144 -0.954 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.809 -1.805 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.222 -3.183 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.383 -4.198 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.820 -4.599 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.093 -3.497 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.024 -1.885 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.212 -1.146 -10.743 1.00 0.00 H new ATOM 712 N ALA A 43 -11.883 -1.592 -5.014 1.00 0.00 N ATOM 713 CA ALA A 43 -12.171 -1.854 -3.574 1.00 0.00 C ATOM 714 C ALA A 43 -13.635 -2.272 -3.415 1.00 0.00 C ATOM 715 O ALA A 43 -14.488 -1.890 -4.192 1.00 0.00 O ATOM 716 CB ALA A 43 -11.914 -0.595 -2.751 1.00 0.00 C ATOM 0 H ALA A 43 -12.326 -0.758 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.518 -2.652 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.127 -0.797 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.871 -0.296 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.560 0.209 -3.104 1.00 0.00 H new ATOM 722 N GLU A 44 -13.929 -3.058 -2.416 1.00 0.00 N ATOM 723 CA GLU A 44 -15.335 -3.507 -2.208 1.00 0.00 C ATOM 724 C GLU A 44 -16.237 -2.308 -1.897 1.00 0.00 C ATOM 725 O GLU A 44 -17.392 -2.283 -2.273 1.00 0.00 O ATOM 726 CB GLU A 44 -15.383 -4.494 -1.038 1.00 0.00 C ATOM 727 CG GLU A 44 -14.594 -5.754 -1.401 1.00 0.00 C ATOM 728 CD GLU A 44 -14.699 -6.768 -0.260 1.00 0.00 C ATOM 729 OE1 GLU A 44 -15.208 -6.401 0.787 1.00 0.00 O ATOM 730 OE2 GLU A 44 -14.267 -7.893 -0.451 1.00 0.00 O ATOM 0 H GLU A 44 -13.256 -3.409 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.691 -3.990 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.963 -4.034 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.417 -4.753 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.983 -6.186 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.549 -5.502 -1.583 1.00 0.00 H new ATOM 737 N GLY A 45 -15.730 -1.320 -1.205 1.00 0.00 N ATOM 738 CA GLY A 45 -16.578 -0.136 -0.868 1.00 0.00 C ATOM 739 C GLY A 45 -15.798 1.161 -1.100 1.00 0.00 C ATOM 740 O GLY A 45 -16.318 2.119 -1.635 1.00 0.00 O ATOM 0 H GLY A 45 -14.771 -1.281 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.480 -0.140 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.899 -0.194 0.172 1.00 0.00 H new ATOM 744 N TYR A 46 -14.558 1.204 -0.697 1.00 0.00 N ATOM 745 CA TYR A 46 -13.756 2.447 -0.893 1.00 0.00 C ATOM 746 C TYR A 46 -13.776 2.861 -2.365 1.00 0.00 C ATOM 747 O TYR A 46 -13.881 2.039 -3.253 1.00 0.00 O ATOM 748 CB TYR A 46 -12.310 2.201 -0.457 1.00 0.00 C ATOM 749 CG TYR A 46 -11.458 3.374 -0.864 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.380 4.510 -0.050 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.746 3.322 -2.067 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.588 5.594 -0.442 1.00 0.00 C ATOM 753 CE2 TYR A 46 -9.956 4.403 -2.461 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.876 5.542 -1.648 1.00 0.00 C ATOM 755 OH TYR A 46 -9.098 6.613 -2.037 1.00 0.00 O ATOM 0 H TYR A 46 -14.066 0.435 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.191 3.244 -0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.263 2.061 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.931 1.287 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.930 4.549 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.808 2.444 -2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.525 6.471 0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.407 4.362 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.856 6.515 -2.982 1.00 0.00 H new ATOM 765 N SER A 47 -13.672 4.137 -2.625 1.00 0.00 N ATOM 766 CA SER A 47 -13.675 4.625 -4.034 1.00 0.00 C ATOM 767 C SER A 47 -12.334 5.300 -4.328 1.00 0.00 C ATOM 768 O SER A 47 -11.738 5.910 -3.464 1.00 0.00 O ATOM 769 CB SER A 47 -14.808 5.634 -4.223 1.00 0.00 C ATOM 770 OG SER A 47 -16.046 5.016 -3.896 1.00 0.00 O ATOM 0 H SER A 47 -13.585 4.866 -1.917 1.00 0.00 H new ATOM 0 HA SER A 47 -13.824 3.787 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.644 6.505 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.826 5.989 -5.253 1.00 0.00 H new ATOM 0 HG SER A 47 -16.775 5.661 -4.014 1.00 0.00 H new ATOM 776 N TYR A 48 -11.854 5.191 -5.535 1.00 0.00 N ATOM 777 CA TYR A 48 -10.546 5.820 -5.877 1.00 0.00 C ATOM 778 C TYR A 48 -10.780 7.082 -6.702 1.00 0.00 C ATOM 779 O TYR A 48 -11.859 7.319 -7.206 1.00 0.00 O ATOM 780 CB TYR A 48 -9.704 4.843 -6.697 1.00 0.00 C ATOM 781 CG TYR A 48 -9.476 3.578 -5.910 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.524 2.670 -5.720 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.210 3.308 -5.374 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.306 1.492 -4.996 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.994 2.131 -4.650 1.00 0.00 C ATOM 786 CZ TYR A 48 -9.040 1.223 -4.461 1.00 0.00 C ATOM 787 OH TYR A 48 -8.823 0.062 -3.748 1.00 0.00 O ATOM 0 H TYR A 48 -12.310 4.694 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.024 6.075 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.209 4.612 -7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.748 5.299 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.500 2.878 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.401 4.009 -5.520 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.114 0.791 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.018 1.923 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.835 0.260 -2.788 1.00 0.00 H new ATOM 797 N THR A 49 -9.770 7.896 -6.846 1.00 0.00 N ATOM 798 CA THR A 49 -9.928 9.142 -7.640 1.00 0.00 C ATOM 799 C THR A 49 -10.007 8.780 -9.122 1.00 0.00 C ATOM 800 O THR A 49 -9.625 7.700 -9.528 1.00 0.00 O ATOM 801 CB THR A 49 -8.718 10.054 -7.415 1.00 0.00 C ATOM 802 OG1 THR A 49 -7.799 9.882 -8.483 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.033 9.687 -6.100 1.00 0.00 C ATOM 0 H THR A 49 -8.843 7.750 -6.447 1.00 0.00 H new ATOM 0 HA THR A 49 -10.836 9.658 -7.329 1.00 0.00 H new ATOM 0 HB THR A 49 -9.050 11.091 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.310 10.718 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.173 10.338 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.736 9.811 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.700 8.650 -6.140 1.00 0.00 H new ATOM 811 N ASP A 50 -10.495 9.673 -9.933 1.00 0.00 N ATOM 812 CA ASP A 50 -10.592 9.379 -11.387 1.00 0.00 C ATOM 813 C ASP A 50 -9.205 9.028 -11.928 1.00 0.00 C ATOM 814 O ASP A 50 -9.067 8.274 -12.868 1.00 0.00 O ATOM 815 CB ASP A 50 -11.129 10.610 -12.120 1.00 0.00 C ATOM 816 CG ASP A 50 -12.584 10.852 -11.714 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.161 9.973 -11.097 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.097 11.914 -12.028 1.00 0.00 O ATOM 0 H ASP A 50 -10.831 10.594 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.268 8.538 -11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.523 11.483 -11.878 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.061 10.463 -13.198 1.00 0.00 H new ATOM 823 N ALA A 51 -8.176 9.583 -11.351 1.00 0.00 N ATOM 824 CA ALA A 51 -6.799 9.297 -11.845 1.00 0.00 C ATOM 825 C ALA A 51 -6.501 7.793 -11.777 1.00 0.00 C ATOM 826 O ALA A 51 -6.158 7.182 -12.768 1.00 0.00 O ATOM 827 CB ALA A 51 -5.787 10.058 -10.985 1.00 0.00 C ATOM 0 H ALA A 51 -8.228 10.223 -10.558 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.723 9.619 -12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.778 9.852 -11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.984 11.128 -11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.877 9.737 -9.947 1.00 0.00 H new ATOM 833 N ASN A 52 -6.623 7.186 -10.630 1.00 0.00 N ATOM 834 CA ASN A 52 -6.333 5.723 -10.538 1.00 0.00 C ATOM 835 C ASN A 52 -7.251 4.947 -11.488 1.00 0.00 C ATOM 836 O ASN A 52 -6.842 3.997 -12.124 1.00 0.00 O ATOM 837 CB ASN A 52 -6.561 5.237 -9.105 1.00 0.00 C ATOM 838 CG ASN A 52 -5.990 3.824 -8.952 1.00 0.00 C ATOM 839 OD1 ASN A 52 -5.159 3.408 -9.735 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.400 3.064 -7.973 1.00 0.00 N ATOM 0 H ASN A 52 -6.908 7.632 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.294 5.552 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.081 5.914 -8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.626 5.238 -8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.023 2.122 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.097 3.412 -7.315 1.00 0.00 H new ATOM 847 N ILE A 53 -8.494 5.334 -11.574 1.00 0.00 N ATOM 848 CA ILE A 53 -9.449 4.608 -12.465 1.00 0.00 C ATOM 849 C ILE A 53 -9.169 4.912 -13.945 1.00 0.00 C ATOM 850 O ILE A 53 -9.051 4.016 -14.755 1.00 0.00 O ATOM 851 CB ILE A 53 -10.876 5.039 -12.126 1.00 0.00 C ATOM 852 CG1 ILE A 53 -11.168 4.719 -10.658 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.863 4.282 -13.018 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.539 5.279 -10.277 1.00 0.00 C ATOM 0 H ILE A 53 -8.892 6.123 -11.065 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.325 3.537 -12.304 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.982 6.111 -12.294 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.147 3.641 -10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.397 5.151 -10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.881 4.589 -12.777 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.654 4.507 -14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.758 3.210 -12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.747 5.051 -9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.543 6.359 -10.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.305 4.826 -10.907 1.00 0.00 H new ATOM 866 N LYS A 54 -9.090 6.165 -14.308 1.00 0.00 N ATOM 867 CA LYS A 54 -8.850 6.514 -15.738 1.00 0.00 C ATOM 868 C LYS A 54 -7.530 5.916 -16.228 1.00 0.00 C ATOM 869 O LYS A 54 -7.459 5.344 -17.297 1.00 0.00 O ATOM 870 CB LYS A 54 -8.808 8.034 -15.883 1.00 0.00 C ATOM 871 CG LYS A 54 -10.201 8.613 -15.627 1.00 0.00 C ATOM 872 CD LYS A 54 -10.152 10.137 -15.750 1.00 0.00 C ATOM 873 CE LYS A 54 -9.830 10.524 -17.195 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.365 11.886 -17.475 1.00 0.00 N ATOM 0 H LYS A 54 -9.181 6.961 -13.676 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.660 6.103 -16.341 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.092 8.457 -15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.469 8.305 -16.883 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.914 8.203 -16.342 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.547 8.329 -14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.108 10.567 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.396 10.542 -15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.752 10.505 -17.356 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.268 9.801 -17.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.146 12.150 -18.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.396 11.889 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.927 12.571 -16.827 1.00 0.00 H new ATOM 888 N LYS A 55 -6.487 6.038 -15.461 1.00 0.00 N ATOM 889 CA LYS A 55 -5.180 5.470 -15.896 1.00 0.00 C ATOM 890 C LYS A 55 -5.311 3.954 -16.055 1.00 0.00 C ATOM 891 O LYS A 55 -4.660 3.350 -16.883 1.00 0.00 O ATOM 892 CB LYS A 55 -4.103 5.789 -14.856 1.00 0.00 C ATOM 893 CG LYS A 55 -3.942 7.309 -14.713 1.00 0.00 C ATOM 894 CD LYS A 55 -3.290 7.888 -15.972 1.00 0.00 C ATOM 895 CE LYS A 55 -2.743 9.283 -15.664 1.00 0.00 C ATOM 896 NZ LYS A 55 -3.586 9.927 -14.616 1.00 0.00 N ATOM 0 H LYS A 55 -6.480 6.505 -14.554 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.895 5.912 -16.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.374 5.352 -13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.155 5.341 -15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.915 7.772 -14.552 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.331 7.538 -13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.485 7.236 -16.311 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.019 7.941 -16.781 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.710 9.213 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.740 9.892 -16.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.395 10.949 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.591 9.766 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.361 9.515 -13.688 1.00 0.00 H new ATOM 910 N ASN A 56 -6.142 3.334 -15.263 1.00 0.00 N ATOM 911 CA ASN A 56 -6.303 1.859 -15.367 1.00 0.00 C ATOM 912 C ASN A 56 -4.941 1.194 -15.190 1.00 0.00 C ATOM 913 O ASN A 56 -4.583 0.287 -15.915 1.00 0.00 O ATOM 914 CB ASN A 56 -6.868 1.490 -16.739 1.00 0.00 C ATOM 915 CG ASN A 56 -7.389 0.052 -16.700 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.504 -0.192 -16.283 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.619 -0.921 -17.108 1.00 0.00 N ATOM 0 H ASN A 56 -6.715 3.785 -14.550 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.990 1.517 -14.593 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.673 2.174 -17.010 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.096 1.589 -17.502 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.954 -1.884 -17.076 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.683 -0.718 -17.458 1.00 0.00 H new ATOM 924 N VAL A 57 -4.178 1.636 -14.232 1.00 0.00 N ATOM 925 CA VAL A 57 -2.842 1.026 -14.013 1.00 0.00 C ATOM 926 C VAL A 57 -3.000 -0.219 -13.147 1.00 0.00 C ATOM 927 O VAL A 57 -3.888 -0.306 -12.326 1.00 0.00 O ATOM 928 CB VAL A 57 -1.919 2.026 -13.312 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.000 1.834 -11.796 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.481 1.787 -13.769 1.00 0.00 C ATOM 0 H VAL A 57 -4.422 2.392 -13.593 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.404 0.755 -14.974 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.228 3.040 -13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.341 2.549 -11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.025 1.996 -11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.692 0.820 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.181 2.497 -13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.182 0.771 -13.512 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.415 1.923 -14.848 1.00 0.00 H new ATOM 940 N LEU A 58 -2.153 -1.188 -13.332 1.00 0.00 N ATOM 941 CA LEU A 58 -2.262 -2.428 -12.521 1.00 0.00 C ATOM 942 C LEU A 58 -1.292 -2.335 -11.341 1.00 0.00 C ATOM 943 O LEU A 58 -0.137 -2.002 -11.507 1.00 0.00 O ATOM 944 CB LEU A 58 -1.897 -3.627 -13.396 1.00 0.00 C ATOM 945 CG LEU A 58 -2.421 -4.916 -12.759 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.286 -6.059 -13.761 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.620 -5.247 -11.498 1.00 0.00 C ATOM 0 H LEU A 58 -1.390 -1.176 -14.009 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.279 -2.547 -12.148 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.323 -3.504 -14.392 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.815 -3.684 -13.516 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.468 -4.781 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.658 -6.981 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.866 -5.830 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.237 -6.184 -14.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.003 -6.166 -11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.570 -5.380 -11.758 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.716 -4.431 -10.781 1.00 0.00 H new ATOM 959 N TRP A 59 -1.747 -2.620 -10.152 1.00 0.00 N ATOM 960 CA TRP A 59 -0.835 -2.537 -8.976 1.00 0.00 C ATOM 961 C TRP A 59 -0.085 -3.858 -8.805 1.00 0.00 C ATOM 962 O TRP A 59 -0.668 -4.923 -8.781 1.00 0.00 O ATOM 963 CB TRP A 59 -1.645 -2.245 -7.710 1.00 0.00 C ATOM 964 CG TRP A 59 -1.993 -0.793 -7.655 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.247 -0.295 -7.707 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.104 0.351 -7.527 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.185 1.086 -7.631 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.886 1.530 -7.515 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.292 0.481 -7.424 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.307 2.790 -7.403 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.881 1.751 -7.312 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.082 2.904 -7.301 1.00 0.00 C ATOM 0 H TRP A 59 -2.704 -2.905 -9.944 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.118 -1.733 -9.141 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.554 -2.847 -7.702 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.070 -2.524 -6.827 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.151 -0.879 -7.794 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.000 1.699 -7.658 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.915 -0.401 -7.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.927 3.674 -7.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.954 1.840 -7.234 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.540 3.878 -7.214 1.00 0.00 H new ATOM 983 N ASP A 60 1.210 -3.784 -8.674 1.00 0.00 N ATOM 984 CA ASP A 60 2.033 -5.011 -8.490 1.00 0.00 C ATOM 985 C ASP A 60 3.173 -4.686 -7.528 1.00 0.00 C ATOM 986 O ASP A 60 3.368 -3.548 -7.150 1.00 0.00 O ATOM 987 CB ASP A 60 2.613 -5.456 -9.835 1.00 0.00 C ATOM 988 CG ASP A 60 1.485 -5.930 -10.751 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.450 -6.313 -10.231 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.678 -5.912 -11.954 1.00 0.00 O ATOM 0 H ASP A 60 1.740 -2.913 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 60 1.416 -5.815 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.150 -4.630 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.333 -6.260 -9.683 1.00 0.00 H new ATOM 995 N GLU A 61 3.932 -5.664 -7.125 1.00 0.00 N ATOM 996 CA GLU A 61 5.051 -5.380 -6.188 1.00 0.00 C ATOM 997 C GLU A 61 6.021 -4.395 -6.845 1.00 0.00 C ATOM 998 O GLU A 61 6.546 -3.505 -6.207 1.00 0.00 O ATOM 999 CB GLU A 61 5.787 -6.679 -5.862 1.00 0.00 C ATOM 1000 CG GLU A 61 4.843 -7.634 -5.130 1.00 0.00 C ATOM 1001 CD GLU A 61 5.603 -8.906 -4.751 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.725 -9.060 -5.205 1.00 0.00 O ATOM 1003 OE2 GLU A 61 5.052 -9.704 -4.012 1.00 0.00 O ATOM 0 H GLU A 61 3.827 -6.640 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 61 4.657 -4.948 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.150 -7.143 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.660 -6.469 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.444 -7.155 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.992 -7.881 -5.765 1.00 0.00 H new ATOM 1010 N ASN A 62 6.257 -4.546 -8.120 1.00 0.00 N ATOM 1011 CA ASN A 62 7.188 -3.614 -8.820 1.00 0.00 C ATOM 1012 C ASN A 62 6.566 -2.219 -8.893 1.00 0.00 C ATOM 1013 O ASN A 62 7.216 -1.221 -8.644 1.00 0.00 O ATOM 1014 CB ASN A 62 7.449 -4.128 -10.238 1.00 0.00 C ATOM 1015 CG ASN A 62 8.201 -5.459 -10.170 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.768 -5.798 -9.150 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.231 -6.231 -11.221 1.00 0.00 N ATOM 0 H ASN A 62 5.847 -5.273 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 62 8.127 -3.561 -8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.506 -4.258 -10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.032 -3.398 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.731 -7.120 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.755 -5.946 -12.077 1.00 0.00 H new ATOM 1024 N ASN A 63 5.309 -2.141 -9.233 1.00 0.00 N ATOM 1025 CA ASN A 63 4.643 -0.812 -9.323 1.00 0.00 C ATOM 1026 C ASN A 63 4.700 -0.126 -7.960 1.00 0.00 C ATOM 1027 O ASN A 63 4.857 1.075 -7.862 1.00 0.00 O ATOM 1028 CB ASN A 63 3.181 -0.996 -9.736 1.00 0.00 C ATOM 1029 CG ASN A 63 3.114 -1.696 -11.096 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.949 -1.469 -11.949 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.148 -2.541 -11.338 1.00 0.00 N ATOM 0 H ASN A 63 4.715 -2.940 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 63 5.155 -0.200 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.653 -1.585 -8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.683 -0.028 -9.789 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.095 -3.010 -12.242 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.447 -2.732 -10.623 1.00 0.00 H new ATOM 1038 N MET A 64 4.576 -0.882 -6.904 1.00 0.00 N ATOM 1039 CA MET A 64 4.624 -0.276 -5.545 1.00 0.00 C ATOM 1040 C MET A 64 5.964 0.434 -5.352 1.00 0.00 C ATOM 1041 O MET A 64 6.036 1.489 -4.754 1.00 0.00 O ATOM 1042 CB MET A 64 4.469 -1.375 -4.493 1.00 0.00 C ATOM 1043 CG MET A 64 3.020 -1.863 -4.475 1.00 0.00 C ATOM 1044 SD MET A 64 1.958 -0.549 -3.828 1.00 0.00 S ATOM 1045 CE MET A 64 0.369 -1.347 -4.160 1.00 0.00 C ATOM 0 H MET A 64 4.444 -1.893 -6.924 1.00 0.00 H new ATOM 0 HA MET A 64 3.814 0.445 -5.437 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.140 -2.204 -4.716 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.748 -0.995 -3.510 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.704 -2.140 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.932 -2.756 -3.856 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.332 -0.612 -4.555 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.508 -2.145 -4.890 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.028 -1.766 -3.235 1.00 0.00 H new ATOM 1055 N SER A 65 7.027 -0.127 -5.859 1.00 0.00 N ATOM 1056 CA SER A 65 8.353 0.530 -5.705 1.00 0.00 C ATOM 1057 C SER A 65 8.307 1.906 -6.367 1.00 0.00 C ATOM 1058 O SER A 65 8.835 2.873 -5.855 1.00 0.00 O ATOM 1059 CB SER A 65 9.429 -0.325 -6.375 1.00 0.00 C ATOM 1060 OG SER A 65 10.710 0.213 -6.074 1.00 0.00 O ATOM 0 H SER A 65 7.034 -1.009 -6.371 1.00 0.00 H new ATOM 0 HA SER A 65 8.589 0.639 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.363 -1.355 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.274 -0.345 -7.454 1.00 0.00 H new ATOM 0 HG SER A 65 11.403 -0.333 -6.501 1.00 0.00 H new ATOM 1066 N GLU A 66 7.671 2.000 -7.503 1.00 0.00 N ATOM 1067 CA GLU A 66 7.581 3.309 -8.202 1.00 0.00 C ATOM 1068 C GLU A 66 6.725 4.274 -7.379 1.00 0.00 C ATOM 1069 O GLU A 66 6.961 5.464 -7.356 1.00 0.00 O ATOM 1070 CB GLU A 66 6.939 3.103 -9.575 1.00 0.00 C ATOM 1071 CG GLU A 66 7.846 2.221 -10.436 1.00 0.00 C ATOM 1072 CD GLU A 66 7.235 2.071 -11.831 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.104 2.490 -12.009 1.00 0.00 O ATOM 1074 OE2 GLU A 66 7.910 1.539 -12.697 1.00 0.00 O ATOM 0 H GLU A 66 7.209 1.223 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 66 8.580 3.727 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.960 2.637 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.781 4.065 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.840 2.663 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.966 1.242 -9.972 1.00 0.00 H new ATOM 1081 N TYR A 67 5.727 3.767 -6.710 1.00 0.00 N ATOM 1082 CA TYR A 67 4.845 4.653 -5.894 1.00 0.00 C ATOM 1083 C TYR A 67 5.674 5.372 -4.826 1.00 0.00 C ATOM 1084 O TYR A 67 5.513 6.554 -4.593 1.00 0.00 O ATOM 1085 CB TYR A 67 3.755 3.797 -5.231 1.00 0.00 C ATOM 1086 CG TYR A 67 2.858 4.650 -4.357 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.214 5.778 -4.884 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.670 4.304 -3.012 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.386 6.558 -4.067 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.842 5.086 -2.196 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.202 6.212 -2.723 1.00 0.00 C ATOM 1092 OH TYR A 67 0.386 6.982 -1.919 1.00 0.00 O ATOM 0 H TYR A 67 5.483 2.777 -6.692 1.00 0.00 H new ATOM 0 HA TYR A 67 4.380 5.402 -6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.159 3.302 -5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.217 3.013 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.356 6.046 -5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.164 3.434 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.889 7.426 -4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.698 4.819 -1.159 1.00 0.00 H new ATOM 0 HH TYR A 67 0.300 6.559 -1.039 1.00 0.00 H new ATOM 1102 N LEU A 68 6.558 4.674 -4.171 1.00 0.00 N ATOM 1103 CA LEU A 68 7.391 5.321 -3.119 1.00 0.00 C ATOM 1104 C LEU A 68 8.492 6.169 -3.759 1.00 0.00 C ATOM 1105 O LEU A 68 8.783 7.263 -3.314 1.00 0.00 O ATOM 1106 CB LEU A 68 8.016 4.234 -2.245 1.00 0.00 C ATOM 1107 CG LEU A 68 6.966 3.701 -1.266 1.00 0.00 C ATOM 1108 CD1 LEU A 68 5.663 3.413 -2.012 1.00 0.00 C ATOM 1109 CD2 LEU A 68 7.471 2.409 -0.623 1.00 0.00 C ATOM 0 H LEU A 68 6.740 3.681 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 68 6.764 5.972 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.393 3.423 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.868 4.637 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 68 6.787 4.450 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.919 3.034 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.296 4.331 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.844 2.668 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.722 2.032 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.654 1.664 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.398 2.608 -0.085 1.00 0.00 H new ATOM 1121 N THR A 69 9.114 5.672 -4.789 1.00 0.00 N ATOM 1122 CA THR A 69 10.207 6.450 -5.445 1.00 0.00 C ATOM 1123 C THR A 69 9.625 7.625 -6.239 1.00 0.00 C ATOM 1124 O THR A 69 10.162 8.715 -6.231 1.00 0.00 O ATOM 1125 CB THR A 69 10.984 5.534 -6.394 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.145 5.156 -7.477 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.440 4.284 -5.640 1.00 0.00 C ATOM 0 H THR A 69 8.916 4.763 -5.207 1.00 0.00 H new ATOM 0 HA THR A 69 10.873 6.839 -4.675 1.00 0.00 H new ATOM 0 HB THR A 69 11.857 6.063 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.511 4.357 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.993 3.632 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.083 4.575 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.569 3.753 -5.256 1.00 0.00 H new ATOM 1135 N ASN A 70 8.536 7.415 -6.929 1.00 0.00 N ATOM 1136 CA ASN A 70 7.934 8.526 -7.724 1.00 0.00 C ATOM 1137 C ASN A 70 6.432 8.286 -7.887 1.00 0.00 C ATOM 1138 O ASN A 70 6.010 7.278 -8.415 1.00 0.00 O ATOM 1139 CB ASN A 70 8.593 8.578 -9.105 1.00 0.00 C ATOM 1140 CG ASN A 70 8.231 9.895 -9.792 1.00 0.00 C ATOM 1141 OD1 ASN A 70 7.501 10.699 -9.247 1.00 0.00 O ATOM 1142 ND2 ASN A 70 8.714 10.153 -10.977 1.00 0.00 N ATOM 0 H ASN A 70 8.038 6.526 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 70 8.095 9.471 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.675 8.492 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.260 7.736 -9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.478 11.029 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.327 9.479 -11.436 1.00 0.00 H new ATOM 1149 N HIS A 71 5.618 9.203 -7.437 1.00 0.00 N ATOM 1150 CA HIS A 71 4.147 9.017 -7.570 1.00 0.00 C ATOM 1151 C HIS A 71 3.480 10.342 -7.942 1.00 0.00 C ATOM 1152 O HIS A 71 4.123 11.369 -8.037 1.00 0.00 O ATOM 1153 CB HIS A 71 3.575 8.506 -6.247 1.00 0.00 C ATOM 1154 CG HIS A 71 3.866 9.497 -5.156 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.062 10.197 -5.093 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.130 9.912 -4.075 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.011 10.990 -4.007 1.00 0.00 C ATOM 1158 NE2 HIS A 71 3.856 10.853 -3.353 1.00 0.00 N ATOM 0 H HIS A 71 5.908 10.070 -6.985 1.00 0.00 H new ATOM 0 HA HIS A 71 3.950 8.289 -8.357 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.499 8.356 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.012 7.539 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.140 9.562 -3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.806 11.655 -3.703 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.567 11.337 -2.503 1.00 0.00 H new ATOM 1167 N ALA A 72 2.192 10.322 -8.156 1.00 0.00 N ATOM 1168 CA ALA A 72 1.470 11.571 -8.524 1.00 0.00 C ATOM 1169 C ALA A 72 1.698 11.875 -10.006 1.00 0.00 C ATOM 1170 O ALA A 72 0.842 12.414 -10.678 1.00 0.00 O ATOM 1171 CB ALA A 72 1.994 12.734 -7.680 1.00 0.00 C ATOM 0 H ALA A 72 1.607 9.489 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 72 0.404 11.440 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.464 13.647 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.831 12.519 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.060 12.865 -7.863 1.00 0.00 H new ATOM 1177 N LYS A 73 2.848 11.535 -10.519 1.00 0.00 N ATOM 1178 CA LYS A 73 3.135 11.807 -11.956 1.00 0.00 C ATOM 1179 C LYS A 73 2.130 11.064 -12.842 1.00 0.00 C ATOM 1180 O LYS A 73 1.651 11.593 -13.824 1.00 0.00 O ATOM 1181 CB LYS A 73 4.551 11.335 -12.289 1.00 0.00 C ATOM 1182 CG LYS A 73 4.898 11.732 -13.725 1.00 0.00 C ATOM 1183 CD LYS A 73 6.290 11.203 -14.081 1.00 0.00 C ATOM 1184 CE LYS A 73 6.700 11.729 -15.457 1.00 0.00 C ATOM 1185 NZ LYS A 73 8.025 11.160 -15.831 1.00 0.00 N ATOM 0 H LYS A 73 3.602 11.080 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 73 3.050 12.878 -12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.266 11.778 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.622 10.254 -12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.157 11.327 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.872 12.817 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.014 11.518 -13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.287 10.113 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.952 11.455 -16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.751 12.818 -15.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.305 11.517 -16.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.736 11.442 -15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.961 10.122 -15.862 1.00 0.00 H new ATOM 1199 N TYR A 74 1.817 9.840 -12.506 1.00 0.00 N ATOM 1200 CA TYR A 74 0.851 9.057 -13.333 1.00 0.00 C ATOM 1201 C TYR A 74 -0.305 8.562 -12.460 1.00 0.00 C ATOM 1202 O TYR A 74 -1.240 7.955 -12.942 1.00 0.00 O ATOM 1203 CB TYR A 74 1.573 7.866 -13.959 1.00 0.00 C ATOM 1204 CG TYR A 74 1.844 6.826 -12.904 1.00 0.00 C ATOM 1205 CD1 TYR A 74 2.963 6.947 -12.074 1.00 0.00 C ATOM 1206 CD2 TYR A 74 0.981 5.737 -12.764 1.00 0.00 C ATOM 1207 CE1 TYR A 74 3.221 5.973 -11.102 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.235 4.763 -11.790 1.00 0.00 C ATOM 1209 CZ TYR A 74 2.356 4.882 -10.959 1.00 0.00 C ATOM 1210 OH TYR A 74 2.609 3.922 -10.001 1.00 0.00 O ATOM 0 H TYR A 74 2.189 9.348 -11.694 1.00 0.00 H new ATOM 0 HA TYR A 74 0.449 9.695 -14.120 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.966 7.439 -14.757 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.510 8.193 -14.411 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.628 7.791 -12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.118 5.646 -13.407 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.087 6.063 -10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.567 3.921 -11.680 1.00 0.00 H new ATOM 0 HH TYR A 74 1.911 3.235 -10.035 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.248 8.822 -11.183 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.341 8.374 -10.268 1.00 0.00 C ATOM 1222 C ILE A 75 -1.938 9.606 -9.573 1.00 0.00 C ATOM 1223 O ILE A 75 -1.415 10.696 -9.696 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.760 7.411 -9.232 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.756 7.346 -9.398 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.340 6.008 -9.441 1.00 0.00 C ATOM 1227 CD1 ILE A 75 1.334 6.421 -8.329 1.00 0.00 C ATOM 0 H ILE A 75 0.512 9.328 -10.729 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.123 7.862 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.014 7.766 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.010 6.978 -10.392 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.188 8.343 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.922 5.327 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.424 6.042 -9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.087 5.655 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.417 6.369 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.089 6.810 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.909 5.424 -8.442 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.027 9.450 -8.856 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.682 10.594 -8.157 1.00 0.00 C ATOM 1241 C PRO A 76 -2.699 11.380 -7.284 1.00 0.00 C ATOM 1242 O PRO A 76 -1.842 10.815 -6.633 1.00 0.00 O ATOM 1243 CB PRO A 76 -4.757 9.937 -7.288 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.040 8.619 -7.929 1.00 0.00 C ATOM 1245 CD PRO A 76 -3.753 8.186 -8.628 1.00 0.00 C ATOM 0 HA PRO A 76 -4.083 11.318 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.408 9.808 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.656 10.552 -7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.342 7.883 -7.184 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.859 8.704 -8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.175 7.500 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.962 7.671 -9.566 1.00 0.00 H new ATOM 1253 N GLY A 77 -2.820 12.677 -7.266 1.00 0.00 N ATOM 1254 CA GLY A 77 -1.899 13.504 -6.435 1.00 0.00 C ATOM 1255 C GLY A 77 -2.283 13.360 -4.964 1.00 0.00 C ATOM 1256 O GLY A 77 -1.857 14.124 -4.121 1.00 0.00 O ATOM 0 H GLY A 77 -3.518 13.203 -7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.868 13.185 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.957 14.550 -6.738 1.00 0.00 H new ATOM 1260 N THR A 78 -3.090 12.385 -4.651 1.00 0.00 N ATOM 1261 CA THR A 78 -3.512 12.187 -3.237 1.00 0.00 C ATOM 1262 C THR A 78 -2.290 12.247 -2.319 1.00 0.00 C ATOM 1263 O THR A 78 -1.281 11.617 -2.570 1.00 0.00 O ATOM 1264 CB THR A 78 -4.178 10.816 -3.098 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.748 10.698 -1.802 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.131 9.718 -3.300 1.00 0.00 C ATOM 0 H THR A 78 -3.476 11.715 -5.316 1.00 0.00 H new ATOM 0 HA THR A 78 -4.214 12.972 -2.956 1.00 0.00 H new ATOM 0 HB THR A 78 -4.961 10.712 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.533 10.112 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.604 8.741 -3.201 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.694 9.810 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.348 9.819 -2.549 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.377 12.990 -1.250 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.225 13.077 -0.309 1.00 0.00 C ATOM 1276 C LYS A 79 -1.377 11.988 0.753 1.00 0.00 C ATOM 1277 O LYS A 79 -2.464 11.726 1.227 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.216 14.452 0.362 1.00 0.00 C ATOM 1279 CG LYS A 79 -0.987 15.535 -0.693 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.861 16.898 -0.008 1.00 0.00 C ATOM 1281 CE LYS A 79 -0.755 17.994 -1.069 1.00 0.00 C ATOM 1282 NZ LYS A 79 -0.665 19.324 -0.401 1.00 0.00 N ATOM 0 H LYS A 79 -3.195 13.540 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.289 12.939 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.162 14.624 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.432 14.494 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.083 15.318 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.815 15.548 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.726 17.077 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.019 16.914 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.123 17.828 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.623 17.963 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.593 20.070 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.516 19.481 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.177 19.350 0.209 1.00 0.00 H new ATOM 1296 N MET A 80 -0.300 11.345 1.121 1.00 0.00 N ATOM 1297 CA MET A 80 -0.390 10.265 2.145 1.00 0.00 C ATOM 1298 C MET A 80 0.531 10.590 3.325 1.00 0.00 C ATOM 1299 O MET A 80 1.636 11.066 3.151 1.00 0.00 O ATOM 1300 CB MET A 80 0.022 8.935 1.504 1.00 0.00 C ATOM 1301 CG MET A 80 -0.450 7.764 2.369 1.00 0.00 C ATOM 1302 SD MET A 80 -0.475 6.253 1.371 1.00 0.00 S ATOM 1303 CE MET A 80 1.303 5.920 1.390 1.00 0.00 C ATOM 0 H MET A 80 0.636 11.521 0.757 1.00 0.00 H new ATOM 0 HA MET A 80 -1.413 10.189 2.513 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.408 8.856 0.505 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.105 8.898 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.214 7.638 3.224 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.445 7.968 2.766 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.502 4.976 0.882 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.830 6.726 0.878 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.650 5.857 2.421 1.00 0.00 H new ATOM 1313 N ALA A 81 0.075 10.346 4.523 1.00 0.00 N ATOM 1314 CA ALA A 81 0.908 10.648 5.723 1.00 0.00 C ATOM 1315 C ALA A 81 2.174 9.787 5.717 1.00 0.00 C ATOM 1316 O ALA A 81 3.216 10.199 6.188 1.00 0.00 O ATOM 1317 CB ALA A 81 0.099 10.351 6.988 1.00 0.00 C ATOM 0 H ALA A 81 -0.843 9.949 4.724 1.00 0.00 H new ATOM 0 HA ALA A 81 1.193 11.700 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.705 10.571 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.797 10.971 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.187 9.299 6.998 1.00 0.00 H new ATOM 1323 N PHE A 82 2.096 8.594 5.194 1.00 0.00 N ATOM 1324 CA PHE A 82 3.300 7.716 5.170 1.00 0.00 C ATOM 1325 C PHE A 82 3.976 7.822 3.802 1.00 0.00 C ATOM 1326 O PHE A 82 3.350 7.639 2.776 1.00 0.00 O ATOM 1327 CB PHE A 82 2.873 6.267 5.417 1.00 0.00 C ATOM 1328 CG PHE A 82 4.090 5.392 5.611 1.00 0.00 C ATOM 1329 CD1 PHE A 82 4.838 4.972 4.503 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.468 4.994 6.901 1.00 0.00 C ATOM 1331 CE1 PHE A 82 5.958 4.155 4.684 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.590 4.172 7.081 1.00 0.00 C ATOM 1333 CZ PHE A 82 6.333 3.755 5.972 1.00 0.00 C ATOM 0 H PHE A 82 1.254 8.190 4.784 1.00 0.00 H new ATOM 0 HA PHE A 82 3.998 8.028 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.233 6.214 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.285 5.904 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.549 5.280 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.895 5.320 7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.534 3.832 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.880 3.862 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.198 3.123 6.110 1.00 0.00 H new ATOM 1343 N GLY A 83 5.248 8.113 3.781 1.00 0.00 N ATOM 1344 CA GLY A 83 5.974 8.230 2.482 1.00 0.00 C ATOM 1345 C GLY A 83 7.060 7.158 2.416 1.00 0.00 C ATOM 1346 O GLY A 83 7.303 6.565 1.384 1.00 0.00 O ATOM 0 H GLY A 83 5.819 8.276 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.279 8.112 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.418 9.221 2.388 1.00 0.00 H new ATOM 1350 N GLY A 84 7.715 6.903 3.515 1.00 0.00 N ATOM 1351 CA GLY A 84 8.784 5.868 3.526 1.00 0.00 C ATOM 1352 C GLY A 84 9.249 5.636 4.963 1.00 0.00 C ATOM 1353 O GLY A 84 8.746 6.242 5.889 1.00 0.00 O ATOM 0 H GLY A 84 7.555 7.369 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.410 4.938 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.623 6.188 2.908 1.00 0.00 H new ATOM 1357 N LEU A 85 10.199 4.761 5.160 1.00 0.00 N ATOM 1358 CA LEU A 85 10.689 4.487 6.543 1.00 0.00 C ATOM 1359 C LEU A 85 12.214 4.628 6.574 1.00 0.00 C ATOM 1360 O LEU A 85 12.912 4.088 5.740 1.00 0.00 O ATOM 1361 CB LEU A 85 10.295 3.059 6.935 1.00 0.00 C ATOM 1362 CG LEU A 85 10.063 2.964 8.446 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.891 3.862 8.850 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.723 1.517 8.807 1.00 0.00 C ATOM 0 H LEU A 85 10.657 4.224 4.423 1.00 0.00 H new ATOM 0 HA LEU A 85 10.247 5.195 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.390 2.766 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.080 2.364 6.637 1.00 0.00 H new ATOM 0 HG LEU A 85 10.964 3.284 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.731 3.790 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.116 4.895 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.990 3.541 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.556 1.440 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.821 1.212 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.550 0.867 8.520 1.00 0.00 H new ATOM 1376 N LYS A 86 12.735 5.350 7.528 1.00 0.00 N ATOM 1377 CA LYS A 86 14.215 5.521 7.607 1.00 0.00 C ATOM 1378 C LYS A 86 14.882 4.148 7.719 1.00 0.00 C ATOM 1379 O LYS A 86 15.932 3.909 7.158 1.00 0.00 O ATOM 1380 CB LYS A 86 14.569 6.362 8.835 1.00 0.00 C ATOM 1381 CG LYS A 86 16.072 6.644 8.845 1.00 0.00 C ATOM 1382 CD LYS A 86 16.415 7.553 10.028 1.00 0.00 C ATOM 1383 CE LYS A 86 16.197 6.794 11.339 1.00 0.00 C ATOM 1384 NZ LYS A 86 17.002 7.430 12.419 1.00 0.00 N ATOM 0 H LYS A 86 12.202 5.828 8.255 1.00 0.00 H new ATOM 0 HA LYS A 86 14.570 6.026 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.013 7.299 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.281 5.835 9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.627 5.709 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.370 7.119 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.451 7.885 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.792 8.447 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.140 6.802 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.488 5.750 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.855 6.915 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.010 7.400 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.704 8.419 12.537 1.00 0.00 H new ATOM 1398 N LYS A 87 14.279 3.244 8.441 1.00 0.00 N ATOM 1399 CA LYS A 87 14.875 1.886 8.591 1.00 0.00 C ATOM 1400 C LYS A 87 15.039 1.247 7.209 1.00 0.00 C ATOM 1401 O LYS A 87 15.916 0.437 6.994 1.00 0.00 O ATOM 1402 CB LYS A 87 13.961 1.023 9.462 1.00 0.00 C ATOM 1403 CG LYS A 87 13.901 1.619 10.870 1.00 0.00 C ATOM 1404 CD LYS A 87 13.096 0.695 11.786 1.00 0.00 C ATOM 1405 CE LYS A 87 12.932 1.354 13.157 1.00 0.00 C ATOM 1406 NZ LYS A 87 11.574 1.957 13.259 1.00 0.00 N ATOM 0 H LYS A 87 13.398 3.387 8.934 1.00 0.00 H new ATOM 0 HA LYS A 87 15.853 1.963 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.961 0.979 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.336 0.000 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.909 1.749 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.441 2.607 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.118 0.493 11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.603 -0.264 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.074 0.616 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.694 2.121 13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.474 2.434 14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.443 2.649 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.855 1.210 13.177 1.00 0.00 H new ATOM 1420 N GLU A 88 14.200 1.614 6.276 1.00 0.00 N ATOM 1421 CA GLU A 88 14.290 1.051 4.894 1.00 0.00 C ATOM 1422 C GLU A 88 14.023 -0.458 4.911 1.00 0.00 C ATOM 1423 O GLU A 88 13.073 -0.931 4.319 1.00 0.00 O ATOM 1424 CB GLU A 88 15.681 1.318 4.307 1.00 0.00 C ATOM 1425 CG GLU A 88 15.686 0.944 2.824 1.00 0.00 C ATOM 1426 CD GLU A 88 17.097 1.113 2.259 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.979 1.477 3.020 1.00 0.00 O ATOM 1428 OE2 GLU A 88 17.273 0.877 1.075 1.00 0.00 O ATOM 0 H GLU A 88 13.447 2.288 6.414 1.00 0.00 H new ATOM 0 HA GLU A 88 13.536 1.537 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.944 2.369 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.432 0.737 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.353 -0.086 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.986 1.575 2.277 1.00 0.00 H new ATOM 1435 N LYS A 89 14.852 -1.224 5.566 1.00 0.00 N ATOM 1436 CA LYS A 89 14.630 -2.695 5.591 1.00 0.00 C ATOM 1437 C LYS A 89 13.216 -2.993 6.091 1.00 0.00 C ATOM 1438 O LYS A 89 12.504 -3.803 5.530 1.00 0.00 O ATOM 1439 CB LYS A 89 15.652 -3.341 6.526 1.00 0.00 C ATOM 1440 CG LYS A 89 17.060 -3.134 5.967 1.00 0.00 C ATOM 1441 CD LYS A 89 18.072 -3.878 6.841 1.00 0.00 C ATOM 1442 CE LYS A 89 19.490 -3.571 6.355 1.00 0.00 C ATOM 1443 NZ LYS A 89 19.610 -3.934 4.914 1.00 0.00 N ATOM 0 H LYS A 89 15.669 -0.896 6.082 1.00 0.00 H new ATOM 0 HA LYS A 89 14.747 -3.100 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.577 -2.903 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.444 -4.406 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.112 -3.499 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.299 -2.071 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.960 -3.576 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.886 -4.951 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.713 -2.513 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.217 -4.130 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.615 -4.020 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.131 -4.841 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.168 -3.194 4.332 1.00 0.00 H new ATOM 1457 N ASP A 90 12.797 -2.337 7.136 1.00 0.00 N ATOM 1458 CA ASP A 90 11.426 -2.576 7.657 1.00 0.00 C ATOM 1459 C ASP A 90 10.405 -2.156 6.600 1.00 0.00 C ATOM 1460 O ASP A 90 9.367 -2.769 6.446 1.00 0.00 O ATOM 1461 CB ASP A 90 11.216 -1.762 8.933 1.00 0.00 C ATOM 1462 CG ASP A 90 12.072 -2.351 10.056 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.689 -3.378 9.828 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.095 -1.765 11.126 1.00 0.00 O ATOM 0 H ASP A 90 13.345 -1.647 7.650 1.00 0.00 H new ATOM 0 HA ASP A 90 11.298 -3.635 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.487 -0.720 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.164 -1.775 9.217 1.00 0.00 H new ATOM 1469 N ARG A 91 10.692 -1.113 5.868 1.00 0.00 N ATOM 1470 CA ARG A 91 9.736 -0.655 4.822 1.00 0.00 C ATOM 1471 C ARG A 91 9.440 -1.812 3.868 1.00 0.00 C ATOM 1472 O ARG A 91 8.315 -2.030 3.467 1.00 0.00 O ATOM 1473 CB ARG A 91 10.357 0.498 4.031 1.00 0.00 C ATOM 1474 CG ARG A 91 9.333 1.051 3.039 1.00 0.00 C ATOM 1475 CD ARG A 91 10.008 2.076 2.127 1.00 0.00 C ATOM 1476 NE ARG A 91 10.591 3.170 2.952 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.207 4.165 2.374 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.306 4.204 1.074 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.723 5.122 3.096 1.00 0.00 N ATOM 0 H ARG A 91 11.545 -0.560 5.950 1.00 0.00 H new ATOM 0 HA ARG A 91 8.814 -0.319 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.681 1.286 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.243 0.152 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.913 0.240 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.505 1.515 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.789 1.595 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.283 2.484 1.423 1.00 0.00 H new ATOM 0 HE ARG A 91 10.509 3.142 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.902 3.457 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.787 4.982 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.645 5.093 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.204 5.899 2.644 1.00 0.00 H new ATOM 1493 N ASN A 92 10.447 -2.555 3.501 1.00 0.00 N ATOM 1494 CA ASN A 92 10.232 -3.698 2.575 1.00 0.00 C ATOM 1495 C ASN A 92 9.267 -4.696 3.212 1.00 0.00 C ATOM 1496 O ASN A 92 8.418 -5.262 2.555 1.00 0.00 O ATOM 1497 CB ASN A 92 11.571 -4.381 2.301 1.00 0.00 C ATOM 1498 CG ASN A 92 12.496 -3.415 1.557 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.046 -2.434 1.000 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.778 -3.654 1.526 1.00 0.00 N ATOM 0 H ASN A 92 11.411 -2.418 3.804 1.00 0.00 H new ATOM 0 HA ASN A 92 9.808 -3.337 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.031 -4.692 3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.417 -5.282 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.404 -3.017 1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.155 -4.478 1.994 1.00 0.00 H new ATOM 1507 N ASP A 93 9.389 -4.915 4.492 1.00 0.00 N ATOM 1508 CA ASP A 93 8.477 -5.875 5.169 1.00 0.00 C ATOM 1509 C ASP A 93 7.029 -5.423 4.976 1.00 0.00 C ATOM 1510 O ASP A 93 6.138 -6.228 4.783 1.00 0.00 O ATOM 1511 CB ASP A 93 8.810 -5.919 6.660 1.00 0.00 C ATOM 1512 CG ASP A 93 10.191 -6.546 6.858 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.708 -7.105 5.906 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.708 -6.456 7.959 1.00 0.00 O ATOM 0 H ASP A 93 10.080 -4.471 5.096 1.00 0.00 H new ATOM 0 HA ASP A 93 8.603 -6.869 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.793 -4.912 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.057 -6.498 7.194 1.00 0.00 H new ATOM 1519 N LEU A 94 6.787 -4.143 5.024 1.00 0.00 N ATOM 1520 CA LEU A 94 5.400 -3.638 4.842 1.00 0.00 C ATOM 1521 C LEU A 94 4.877 -4.049 3.465 1.00 0.00 C ATOM 1522 O LEU A 94 3.753 -4.486 3.321 1.00 0.00 O ATOM 1523 CB LEU A 94 5.409 -2.113 4.941 1.00 0.00 C ATOM 1524 CG LEU A 94 5.922 -1.686 6.318 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.895 -0.160 6.421 1.00 0.00 C ATOM 1526 CD2 LEU A 94 5.024 -2.280 7.406 1.00 0.00 C ATOM 0 H LEU A 94 7.493 -3.424 5.182 1.00 0.00 H new ATOM 0 HA LEU A 94 4.755 -4.059 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.043 -1.692 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.404 -1.723 4.780 1.00 0.00 H new ATOM 0 HG LEU A 94 6.943 -2.045 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.260 0.145 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.532 0.268 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.873 0.196 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.390 -1.975 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.004 -1.921 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.038 -3.368 7.335 1.00 0.00 H new ATOM 1538 N ILE A 95 5.687 -3.912 2.452 1.00 0.00 N ATOM 1539 CA ILE A 95 5.244 -4.291 1.088 1.00 0.00 C ATOM 1540 C ILE A 95 4.866 -5.773 1.065 1.00 0.00 C ATOM 1541 O ILE A 95 3.842 -6.158 0.537 1.00 0.00 O ATOM 1542 CB ILE A 95 6.388 -4.039 0.109 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.770 -2.557 0.142 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.942 -4.415 -1.298 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.005 -2.327 -0.730 1.00 0.00 C ATOM 0 H ILE A 95 6.639 -3.552 2.514 1.00 0.00 H new ATOM 0 HA ILE A 95 4.376 -3.697 0.803 1.00 0.00 H new ATOM 0 HB ILE A 95 7.250 -4.644 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.940 -1.949 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.973 -2.246 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.758 -4.236 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.667 -5.470 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.081 -3.809 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.276 -1.272 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.835 -2.924 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.786 -2.622 -1.756 1.00 0.00 H new ATOM 1557 N THR A 96 5.689 -6.606 1.638 1.00 0.00 N ATOM 1558 CA THR A 96 5.384 -8.063 1.654 1.00 0.00 C ATOM 1559 C THR A 96 4.050 -8.297 2.367 1.00 0.00 C ATOM 1560 O THR A 96 3.247 -9.111 1.955 1.00 0.00 O ATOM 1561 CB THR A 96 6.496 -8.807 2.398 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.755 -8.435 1.856 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.300 -10.315 2.241 1.00 0.00 C ATOM 0 H THR A 96 6.561 -6.340 2.096 1.00 0.00 H new ATOM 0 HA THR A 96 5.319 -8.433 0.631 1.00 0.00 H new ATOM 0 HB THR A 96 6.461 -8.547 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.306 -8.028 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.093 -10.842 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.333 -10.601 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.334 -10.578 1.184 1.00 0.00 H new ATOM 1571 N TYR A 97 3.806 -7.588 3.435 1.00 0.00 N ATOM 1572 CA TYR A 97 2.525 -7.768 4.176 1.00 0.00 C ATOM 1573 C TYR A 97 1.343 -7.454 3.254 1.00 0.00 C ATOM 1574 O TYR A 97 0.336 -8.133 3.273 1.00 0.00 O ATOM 1575 CB TYR A 97 2.495 -6.835 5.388 1.00 0.00 C ATOM 1576 CG TYR A 97 1.205 -7.040 6.145 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.104 -8.066 7.091 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.110 -6.205 5.898 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.094 -8.257 7.791 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.088 -6.395 6.596 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.190 -7.421 7.543 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.370 -7.610 8.232 1.00 0.00 O ATOM 0 H TYR A 97 4.439 -6.891 3.827 1.00 0.00 H new ATOM 0 HA TYR A 97 2.450 -8.801 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.347 -7.037 6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.579 -5.797 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.950 -8.710 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.189 -5.413 5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.173 -9.048 8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.933 -5.751 6.404 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.029 -6.945 7.942 1.00 0.00 H new ATOM 1592 N LEU A 98 1.453 -6.432 2.449 1.00 0.00 N ATOM 1593 CA LEU A 98 0.326 -6.089 1.534 1.00 0.00 C ATOM 1594 C LEU A 98 -0.012 -7.297 0.665 1.00 0.00 C ATOM 1595 O LEU A 98 -1.164 -7.589 0.416 1.00 0.00 O ATOM 1596 CB LEU A 98 0.722 -4.910 0.643 1.00 0.00 C ATOM 1597 CG LEU A 98 0.088 -3.626 1.180 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.342 -3.514 2.684 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.700 -2.418 0.469 1.00 0.00 C ATOM 0 H LEU A 98 2.269 -5.823 2.385 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.546 -5.813 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.807 -4.809 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.394 -5.089 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.986 -3.652 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.111 -2.598 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.097 -4.373 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.416 -3.492 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.248 -1.503 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.775 -2.395 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.514 -2.494 -0.602 1.00 0.00 H new ATOM 1611 N LYS A 99 0.978 -8.011 0.210 1.00 0.00 N ATOM 1612 CA LYS A 99 0.693 -9.205 -0.628 1.00 0.00 C ATOM 1613 C LYS A 99 -0.195 -10.158 0.169 1.00 0.00 C ATOM 1614 O LYS A 99 -1.121 -10.748 -0.350 1.00 0.00 O ATOM 1615 CB LYS A 99 2.002 -9.910 -0.988 1.00 0.00 C ATOM 1616 CG LYS A 99 1.707 -11.079 -1.931 1.00 0.00 C ATOM 1617 CD LYS A 99 3.019 -11.760 -2.329 1.00 0.00 C ATOM 1618 CE LYS A 99 3.629 -12.453 -1.110 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.544 -13.540 -1.562 1.00 0.00 N ATOM 0 H LYS A 99 1.965 -7.821 0.381 1.00 0.00 H new ATOM 0 HA LYS A 99 0.190 -8.901 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.687 -9.208 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.493 -10.272 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.047 -11.796 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.187 -10.721 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.837 -12.487 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.716 -11.023 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.176 -11.731 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.841 -12.865 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.959 -14.011 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.009 -14.233 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.303 -13.134 -2.146 1.00 0.00 H new ATOM 1633 N LYS A 100 0.081 -10.307 1.435 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.741 -11.213 2.280 1.00 0.00 C ATOM 1635 C LYS A 100 -2.185 -10.706 2.332 1.00 0.00 C ATOM 1636 O LYS A 100 -3.121 -11.480 2.364 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.166 -11.255 3.697 1.00 0.00 C ATOM 1638 CG LYS A 100 -0.928 -12.292 4.527 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.301 -12.395 5.918 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.535 -11.094 6.686 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.442 -11.356 8.150 1.00 0.00 N ATOM 0 H LYS A 100 0.845 -9.837 1.921 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.725 -12.215 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.894 -11.508 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.245 -10.272 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.977 -12.007 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.899 -13.262 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.736 -13.233 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.768 -12.591 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.203 -10.348 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.516 -10.686 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.132 -10.763 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.646 -12.359 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.517 -11.130 8.483 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.375 -9.414 2.355 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.760 -8.873 2.421 1.00 0.00 C ATOM 1657 C ALA A 101 -4.541 -9.280 1.169 1.00 0.00 C ATOM 1658 O ALA A 101 -5.708 -9.609 1.237 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.708 -7.346 2.519 1.00 0.00 C ATOM 0 H ALA A 101 -1.634 -8.714 2.331 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.260 -9.278 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.722 -6.950 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.163 -7.057 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.202 -6.942 1.642 1.00 0.00 H new ATOM 1665 N THR A 102 -3.914 -9.261 0.026 1.00 0.00 N ATOM 1666 CA THR A 102 -4.636 -9.647 -1.218 1.00 0.00 C ATOM 1667 C THR A 102 -4.910 -11.154 -1.205 1.00 0.00 C ATOM 1668 O THR A 102 -5.886 -11.620 -1.757 1.00 0.00 O ATOM 1669 CB THR A 102 -3.792 -9.276 -2.444 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.647 -8.795 -3.470 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.028 -10.501 -2.952 1.00 0.00 C ATOM 0 H THR A 102 -2.937 -8.996 -0.100 1.00 0.00 H new ATOM 0 HA THR A 102 -5.584 -9.112 -1.267 1.00 0.00 H new ATOM 0 HB THR A 102 -3.075 -8.504 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.558 -9.364 -4.263 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.433 -10.224 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.370 -10.871 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.736 -11.282 -3.230 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.058 -11.916 -0.578 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.270 -13.390 -0.529 1.00 0.00 C ATOM 1681 C GLU A 103 -4.438 -13.928 -1.951 1.00 0.00 C ATOM 1682 O GLU A 103 -3.538 -13.853 -2.764 1.00 0.00 O ATOM 1683 CB GLU A 103 -5.531 -13.697 0.284 1.00 0.00 C ATOM 1684 CG GLU A 103 -5.349 -13.191 1.717 1.00 0.00 C ATOM 1685 CD GLU A 103 -6.580 -13.559 2.547 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -7.550 -14.016 1.964 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -6.533 -13.378 3.753 1.00 0.00 O ATOM 0 H GLU A 103 -3.223 -11.582 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.409 -13.866 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.397 -13.220 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.722 -14.770 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.455 -13.631 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.207 -12.110 1.717 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.030 4.485 1.968 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.332 4.501 -1.153 1.00 0.00 C HETATM 1697 CHB HEC A 104 0.252 2.197 0.988 1.00 0.00 C HETATM 1698 CHC HEC A 104 -0.802 4.375 5.118 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.239 6.870 2.898 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.629 3.558 0.292 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.266 3.678 -0.921 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.643 2.860 -1.932 1.00 0.00 C HETATM 1703 C3A HEC A 104 -0.685 2.148 -1.300 1.00 0.00 C HETATM 1704 C4A HEC A 104 -0.641 2.635 0.052 1.00 0.00 C HETATM 1705 CMA HEC A 104 0.005 0.934 -1.815 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.763 3.052 -3.405 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.412 4.479 -3.835 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.203 4.846 -5.093 1.00 0.00 C HETATM 1709 O1A HEC A 104 -3.376 4.514 -5.150 1.00 0.00 O HETATM 1710 O2A HEC A 104 -1.623 5.453 -5.977 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.589 3.504 2.855 1.00 0.00 N HETATM 1712 C1B HEC A 104 0.286 2.600 2.297 1.00 0.00 C HETATM 1713 C2B HEC A 104 1.233 2.107 3.262 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.837 2.601 4.464 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.230 3.539 4.184 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.585 1.562 2.942 1.00 0.00 C HETATM 1717 CAB HEC A 104 1.156 1.996 5.793 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.843 0.627 5.661 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.429 5.421 3.638 1.00 0.00 N HETATM 1720 C1C HEC A 104 -1.822 5.265 4.864 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.362 6.180 5.842 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.388 6.824 5.234 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.378 6.396 3.857 1.00 0.00 C HETATM 1724 CMC HEC A 104 -1.695 6.601 7.107 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.470 7.603 5.907 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.151 9.095 6.023 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.472 5.461 1.075 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.287 6.438 1.599 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.200 6.955 0.611 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.020 6.203 -0.499 1.00 0.00 C HETATM 1731 C4D HEC A 104 -3.903 5.336 -0.226 1.00 0.00 C HETATM 1732 CMD HEC A 104 -5.902 8.269 0.673 1.00 0.00 C HETATM 1733 CAD HEC A 104 -5.958 6.100 -1.651 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.567 7.024 -2.805 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.796 7.308 -3.670 1.00 0.00 C HETATM 1736 O1D HEC A 104 -7.080 8.472 -3.900 1.00 0.00 O HETATM 1737 O2D HEC A 104 -7.433 6.355 -4.090 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.526 8.306 1.566 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.167 9.073 0.711 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.527 8.390 -0.212 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.509 5.726 7.729 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.748 7.088 6.874 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.339 7.297 7.644 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.483 0.696 2.288 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 3.177 2.328 2.440 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 3.084 1.263 3.864 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.729 0.150 -2.002 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.522 1.176 -2.743 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.728 0.586 -1.077 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.160 7.957 -2.416 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.785 6.561 -3.407 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.238 9.228 6.604 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.012 9.516 5.027 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -4.975 9.606 6.521 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.186 -0.060 5.127 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.776 0.740 5.109 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 2.054 0.229 6.653 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.642 5.179 -3.032 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.342 4.558 -4.030 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -5.982 5.070 -2.006 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -6.966 6.346 -1.318 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.105 2.349 -3.916 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.781 2.821 -3.718 1.00 0.00 H new HETATM 0 HHD HEC A 104 -4.939 7.651 3.194 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.417 4.328 6.137 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.997 1.469 0.668 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.763 4.494 -2.154 1.00 0.00 H new