USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 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: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -175:sc= -1.96 (180deg=-2.03) USER MOD Set 2.1: A 48 SER OG : rot 118:sc= -2.39! USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.374 USER MOD Set 2.3: A 51 ASN : amide:sc= -2.63! C(o=-4.7!,f=-6.8!) USER MOD Set 3.1: A 29 THR OG1 : rot 80:sc= 0.639 USER MOD Set 3.2: A 32 CYS SG : rot 180:sc= -1.2 USER MOD Set 4.1: A 15 MET CE :methyl -149:sc= 0 (180deg=-0.504) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.21) USER MOD Set 5.1: A 3 THR OG1 : rot -40:sc= -0.0369 USER MOD Set 5.2: A 34 MET CE :methyl 175:sc= -1.2 (180deg=-1.05) USER MOD Single : A 1 LEU N :NH3+ -123:sc= -5.8! (180deg=-7.21!) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00237) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -0.312 (180deg=-1.23!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 141:sc= -0.197 (180deg=-1.9!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.454 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.55! C(o=-4.5!,f=-4!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -89:sc= 0.531 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.86 X(o=-1.9,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot 14:sc= 0.722! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.2) USER MOD Single : A 86 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= -0.171 (180deg=-0.84) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -0.113 (180deg=-0.69) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.229) USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= -0.198 (180deg=-1.27!) USER MOD Single : B 1 SER N :NH3+ 168:sc= -0.0596 (180deg=-0.219) USER MOD Single : B 1 SER OG : rot -39:sc= 1.13 USER MOD Single : B 5 SER OG : rot -63:sc= -0.714 USER MOD Single : B 8 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.127 13.346 -9.915 1.00 0.00 N ATOM 2 CA LEU A 1 85.479 13.346 -10.543 1.00 0.00 C ATOM 3 C LEU A 1 86.479 13.962 -9.569 1.00 0.00 C ATOM 4 O LEU A 1 87.514 14.467 -9.957 1.00 0.00 O ATOM 5 CB LEU A 1 85.445 14.175 -11.839 1.00 0.00 C ATOM 6 CG LEU A 1 84.751 13.404 -12.984 1.00 0.00 C ATOM 7 CD1 LEU A 1 85.683 12.328 -13.560 1.00 0.00 C ATOM 8 CD2 LEU A 1 83.464 12.741 -12.476 1.00 0.00 C ATOM 0 H1 LEU A 1 83.757 12.375 -9.888 1.00 0.00 H new ATOM 0 H2 LEU A 1 84.194 13.718 -8.946 1.00 0.00 H new ATOM 0 H3 LEU A 1 83.485 13.946 -10.472 1.00 0.00 H new ATOM 0 HA LEU A 1 85.776 12.324 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 1 84.919 15.113 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 1 86.462 14.431 -12.135 1.00 0.00 H new ATOM 0 HG LEU A 1 84.506 14.119 -13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 1 85.173 11.798 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 1 86.585 12.799 -13.950 1.00 0.00 H new ATOM 0 HD13 LEU A 1 85.953 11.622 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 1 82.986 12.201 -13.293 1.00 0.00 H new ATOM 0 HD22 LEU A 1 83.706 12.044 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 1 82.785 13.506 -12.100 1.00 0.00 H new ATOM 22 N LYS A 2 86.174 13.923 -8.306 1.00 0.00 N ATOM 23 CA LYS A 2 87.093 14.500 -7.297 1.00 0.00 C ATOM 24 C LYS A 2 88.404 13.713 -7.297 1.00 0.00 C ATOM 25 O LYS A 2 89.398 14.144 -6.747 1.00 0.00 O ATOM 26 CB LYS A 2 86.429 14.418 -5.919 1.00 0.00 C ATOM 27 CG LYS A 2 85.434 15.570 -5.758 1.00 0.00 C ATOM 28 CD LYS A 2 84.456 15.585 -6.937 1.00 0.00 C ATOM 29 CE LYS A 2 83.290 16.530 -6.631 1.00 0.00 C ATOM 30 NZ LYS A 2 83.765 17.942 -6.693 1.00 0.00 N ATOM 0 H LYS A 2 85.320 13.512 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 2 87.307 15.542 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 2 85.916 13.463 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 2 87.186 14.466 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 2 84.886 15.461 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 2 85.968 16.519 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 2 84.969 15.907 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 2 84.081 14.579 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 2 82.484 16.374 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 2 82.883 16.315 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 82.970 18.584 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 84.508 18.090 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 84.149 18.138 -7.640 1.00 0.00 H new ATOM 44 N THR A 3 88.416 12.564 -7.918 1.00 0.00 N ATOM 45 CA THR A 3 89.666 11.751 -7.958 1.00 0.00 C ATOM 46 C THR A 3 89.512 10.627 -8.979 1.00 0.00 C ATOM 47 O THR A 3 89.615 9.461 -8.655 1.00 0.00 O ATOM 48 CB THR A 3 89.938 11.146 -6.576 1.00 0.00 C ATOM 49 OG1 THR A 3 89.742 12.135 -5.576 1.00 0.00 O ATOM 50 CG2 THR A 3 91.379 10.638 -6.518 1.00 0.00 C ATOM 0 H THR A 3 87.615 12.154 -8.399 1.00 0.00 H new ATOM 0 HA THR A 3 90.500 12.393 -8.242 1.00 0.00 H new ATOM 0 HB THR A 3 89.253 10.316 -6.402 1.00 0.00 H new ATOM 0 HG1 THR A 3 90.105 12.991 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 3 91.574 10.208 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 3 91.527 9.877 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 3 92.064 11.467 -6.693 1.00 0.00 H new ATOM 58 N TYR A 4 89.267 10.966 -10.211 1.00 0.00 N ATOM 59 CA TYR A 4 89.109 9.919 -11.254 1.00 0.00 C ATOM 60 C TYR A 4 90.334 9.003 -11.254 1.00 0.00 C ATOM 61 O TYR A 4 91.326 9.276 -10.607 1.00 0.00 O ATOM 62 CB TYR A 4 88.966 10.586 -12.617 1.00 0.00 C ATOM 63 CG TYR A 4 90.228 11.334 -12.946 1.00 0.00 C ATOM 64 CD1 TYR A 4 90.373 12.665 -12.553 1.00 0.00 C ATOM 65 CD2 TYR A 4 91.247 10.694 -13.650 1.00 0.00 C ATOM 66 CE1 TYR A 4 91.546 13.363 -12.865 1.00 0.00 C ATOM 67 CE2 TYR A 4 92.421 11.387 -13.966 1.00 0.00 C ATOM 68 CZ TYR A 4 92.571 12.723 -13.573 1.00 0.00 C ATOM 69 OH TYR A 4 93.728 13.408 -13.885 1.00 0.00 O ATOM 0 H TYR A 4 89.169 11.926 -10.542 1.00 0.00 H new ATOM 0 HA TYR A 4 88.220 9.325 -11.044 1.00 0.00 H new ATOM 0 HB2 TYR A 4 88.766 9.835 -13.382 1.00 0.00 H new ATOM 0 HB3 TYR A 4 88.117 11.269 -12.612 1.00 0.00 H new ATOM 0 HD1 TYR A 4 89.581 13.157 -12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 4 91.130 9.664 -13.951 1.00 0.00 H new ATOM 0 HE1 TYR A 4 91.660 14.393 -12.560 1.00 0.00 H new ATOM 0 HE2 TYR A 4 93.210 10.892 -14.512 1.00 0.00 H new ATOM 0 HH TYR A 4 94.336 12.817 -14.377 1.00 0.00 H new ATOM 79 N GLY A 5 90.272 7.914 -11.974 1.00 0.00 N ATOM 80 CA GLY A 5 91.432 6.975 -12.016 1.00 0.00 C ATOM 81 C GLY A 5 91.360 6.024 -10.821 1.00 0.00 C ATOM 82 O GLY A 5 92.242 5.218 -10.602 1.00 0.00 O ATOM 0 H GLY A 5 89.468 7.634 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 5 91.421 6.408 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 5 92.367 7.534 -11.994 1.00 0.00 H new ATOM 86 N VAL A 6 90.309 6.117 -10.049 1.00 0.00 N ATOM 87 CA VAL A 6 90.149 5.226 -8.858 1.00 0.00 C ATOM 88 C VAL A 6 89.094 4.165 -9.171 1.00 0.00 C ATOM 89 O VAL A 6 88.094 4.440 -9.803 1.00 0.00 O ATOM 90 CB VAL A 6 89.698 6.064 -7.660 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.580 5.170 -6.425 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.729 7.169 -7.393 1.00 0.00 C ATOM 0 H VAL A 6 89.546 6.779 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 6 91.097 4.741 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 6 88.729 6.513 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 6 89.259 5.768 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.849 4.384 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.549 4.720 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.409 7.767 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.698 6.718 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.814 7.808 -8.272 1.00 0.00 H new ATOM 102 N SER A 7 89.313 2.950 -8.749 1.00 0.00 N ATOM 103 CA SER A 7 88.328 1.872 -9.040 1.00 0.00 C ATOM 104 C SER A 7 87.162 1.939 -8.053 1.00 0.00 C ATOM 105 O SER A 7 87.312 1.684 -6.876 1.00 0.00 O ATOM 106 CB SER A 7 89.017 0.518 -8.924 1.00 0.00 C ATOM 107 OG SER A 7 90.309 0.598 -9.512 1.00 0.00 O ATOM 0 H SER A 7 90.132 2.658 -8.215 1.00 0.00 H new ATOM 0 HA SER A 7 87.941 2.005 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 7 89.099 0.227 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.424 -0.249 -9.423 1.00 0.00 H new ATOM 0 HG SER A 7 90.756 -0.271 -9.438 1.00 0.00 H new ATOM 113 N PHE A 8 85.999 2.269 -8.539 1.00 0.00 N ATOM 114 CA PHE A 8 84.793 2.355 -7.660 1.00 0.00 C ATOM 115 C PHE A 8 84.049 1.013 -7.690 1.00 0.00 C ATOM 116 O PHE A 8 83.995 0.347 -8.705 1.00 0.00 O ATOM 117 CB PHE A 8 83.872 3.471 -8.181 1.00 0.00 C ATOM 118 CG PHE A 8 83.950 3.536 -9.687 1.00 0.00 C ATOM 119 CD1 PHE A 8 83.112 2.730 -10.466 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.859 4.405 -10.305 1.00 0.00 C ATOM 121 CE1 PHE A 8 83.182 2.792 -11.863 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.928 4.467 -11.702 1.00 0.00 C ATOM 123 CZ PHE A 8 84.090 3.660 -12.481 1.00 0.00 C ATOM 0 H PHE A 8 85.827 2.486 -9.521 1.00 0.00 H new ATOM 0 HA PHE A 8 85.093 2.578 -6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.845 3.283 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 8 84.166 4.428 -7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 8 82.411 2.060 -9.990 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.506 5.027 -9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 8 82.535 2.170 -12.464 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.628 5.137 -12.179 1.00 0.00 H new ATOM 0 HZ PHE A 8 84.144 3.707 -13.559 1.00 0.00 H new ATOM 133 N PHE A 9 83.471 0.619 -6.581 1.00 0.00 N ATOM 134 CA PHE A 9 82.715 -0.675 -6.521 1.00 0.00 C ATOM 135 C PHE A 9 81.318 -0.401 -5.957 1.00 0.00 C ATOM 136 O PHE A 9 81.170 0.223 -4.925 1.00 0.00 O ATOM 137 CB PHE A 9 83.450 -1.654 -5.594 1.00 0.00 C ATOM 138 CG PHE A 9 84.616 -2.286 -6.323 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.802 -1.565 -6.505 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.513 -3.597 -6.809 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.883 -2.153 -7.173 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.594 -4.184 -7.477 1.00 0.00 C ATOM 143 CZ PHE A 9 86.780 -3.462 -7.659 1.00 0.00 C ATOM 0 H PHE A 9 83.490 1.143 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 9 82.640 -1.108 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.807 -1.129 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.763 -2.428 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.883 -0.555 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.599 -4.154 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.798 -1.596 -7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.513 -5.194 -7.852 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.615 -3.915 -8.174 1.00 0.00 H new ATOM 153 N LEU A 10 80.291 -0.861 -6.619 1.00 0.00 N ATOM 154 CA LEU A 10 78.914 -0.618 -6.104 1.00 0.00 C ATOM 155 C LEU A 10 78.625 -1.570 -4.955 1.00 0.00 C ATOM 156 O LEU A 10 78.638 -2.776 -5.104 1.00 0.00 O ATOM 157 CB LEU A 10 77.884 -0.832 -7.225 1.00 0.00 C ATOM 158 CG LEU A 10 76.430 -0.820 -6.649 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.508 0.002 -7.555 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.874 -2.251 -6.566 1.00 0.00 C ATOM 0 H LEU A 10 80.345 -1.391 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 10 78.843 0.411 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.989 -0.050 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.075 -1.782 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 10 76.467 -0.378 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.499 0.002 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.876 1.026 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.492 -0.437 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.861 -2.225 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.857 -2.693 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.509 -2.851 -5.914 1.00 0.00 H new ATOM 172 N VAL A 11 78.351 -1.020 -3.807 1.00 0.00 N ATOM 173 CA VAL A 11 78.030 -1.846 -2.613 1.00 0.00 C ATOM 174 C VAL A 11 76.772 -1.263 -1.987 1.00 0.00 C ATOM 175 O VAL A 11 76.486 -0.092 -2.146 1.00 0.00 O ATOM 176 CB VAL A 11 79.188 -1.792 -1.615 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.488 -2.212 -2.313 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.338 -0.366 -1.075 1.00 0.00 C ATOM 0 H VAL A 11 78.336 -0.013 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 11 77.874 -2.888 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 11 78.982 -2.472 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.312 -2.173 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.385 -3.228 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.692 -1.533 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.164 -0.331 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.541 0.316 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.416 -0.067 -0.575 1.00 0.00 H new ATOM 188 N LYS A 12 76.008 -2.060 -1.290 1.00 0.00 N ATOM 189 CA LYS A 12 74.751 -1.542 -0.667 1.00 0.00 C ATOM 190 C LYS A 12 74.960 -1.429 0.840 1.00 0.00 C ATOM 191 O LYS A 12 75.492 -2.314 1.479 1.00 0.00 O ATOM 192 CB LYS A 12 73.587 -2.506 -0.996 1.00 0.00 C ATOM 193 CG LYS A 12 72.639 -1.866 -2.019 1.00 0.00 C ATOM 194 CD LYS A 12 71.604 -2.898 -2.463 1.00 0.00 C ATOM 195 CE LYS A 12 70.728 -2.312 -3.567 1.00 0.00 C ATOM 196 NZ LYS A 12 70.002 -3.412 -4.262 1.00 0.00 N ATOM 0 H LYS A 12 76.198 -3.048 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 12 74.503 -0.557 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.982 -3.442 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.040 -2.750 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.142 -1.001 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.203 -1.506 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.105 -3.797 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.986 -3.195 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.017 -1.603 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.342 -1.761 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.405 -3.013 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.689 -4.072 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.405 -3.920 -3.579 1.00 0.00 H new ATOM 210 N GLU A 13 74.545 -0.326 1.401 1.00 0.00 N ATOM 211 CA GLU A 13 74.711 -0.105 2.867 1.00 0.00 C ATOM 212 C GLU A 13 73.363 -0.264 3.555 1.00 0.00 C ATOM 213 O GLU A 13 72.324 -0.188 2.933 1.00 0.00 O ATOM 214 CB GLU A 13 75.234 1.309 3.112 1.00 0.00 C ATOM 215 CG GLU A 13 76.496 1.534 2.281 1.00 0.00 C ATOM 216 CD GLU A 13 77.109 2.890 2.635 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.402 3.708 3.200 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.275 3.087 2.336 1.00 0.00 O ATOM 0 H GLU A 13 74.093 0.440 0.901 1.00 0.00 H new ATOM 0 HA GLU A 13 75.418 -0.832 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.473 2.042 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.452 1.450 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.216 0.738 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.255 1.499 1.219 1.00 0.00 H new ATOM 225 N LYS A 14 73.376 -0.481 4.839 1.00 0.00 N ATOM 226 CA LYS A 14 72.104 -0.648 5.594 1.00 0.00 C ATOM 227 C LYS A 14 71.753 0.675 6.273 1.00 0.00 C ATOM 228 O LYS A 14 72.519 1.222 7.042 1.00 0.00 O ATOM 229 CB LYS A 14 72.267 -1.760 6.650 1.00 0.00 C ATOM 230 CG LYS A 14 73.248 -2.843 6.157 1.00 0.00 C ATOM 231 CD LYS A 14 72.729 -3.535 4.879 1.00 0.00 C ATOM 232 CE LYS A 14 71.607 -4.529 5.219 1.00 0.00 C ATOM 233 NZ LYS A 14 72.048 -5.441 6.314 1.00 0.00 N ATOM 0 H LYS A 14 74.222 -0.551 5.404 1.00 0.00 H new ATOM 0 HA LYS A 14 71.302 -0.930 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.631 -1.331 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.298 -2.211 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 14 74.220 -2.392 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 73.395 -3.586 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 14 72.359 -2.786 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.548 -4.058 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.711 -3.988 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.344 -5.110 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 71.603 -6.373 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.082 -5.544 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 71.766 -5.042 7.232 1.00 0.00 H new ATOM 247 N MET A 15 70.601 1.188 5.978 1.00 0.00 N ATOM 248 CA MET A 15 70.167 2.475 6.572 1.00 0.00 C ATOM 249 C MET A 15 69.892 2.308 8.067 1.00 0.00 C ATOM 250 O MET A 15 69.577 1.233 8.538 1.00 0.00 O ATOM 251 CB MET A 15 68.893 2.940 5.885 1.00 0.00 C ATOM 252 CG MET A 15 69.143 3.098 4.389 1.00 0.00 C ATOM 253 SD MET A 15 67.799 4.061 3.654 1.00 0.00 S ATOM 254 CE MET A 15 68.481 5.705 3.985 1.00 0.00 C ATOM 0 H MET A 15 69.929 0.764 5.339 1.00 0.00 H new ATOM 0 HA MET A 15 70.960 3.210 6.435 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.093 2.220 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.564 3.888 6.311 1.00 0.00 H new ATOM 0 HG2 MET A 15 70.097 3.596 4.219 1.00 0.00 H new ATOM 0 HG3 MET A 15 69.206 2.119 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 15 67.666 6.413 4.137 1.00 0.00 H new ATOM 0 HE2 MET A 15 69.101 5.668 4.881 1.00 0.00 H new ATOM 0 HE3 MET A 15 69.087 6.025 3.137 1.00 0.00 H new ATOM 264 N LYS A 16 70.032 3.386 8.796 1.00 0.00 N ATOM 265 CA LYS A 16 69.812 3.397 10.281 1.00 0.00 C ATOM 266 C LYS A 16 68.838 2.292 10.725 1.00 0.00 C ATOM 267 O LYS A 16 69.244 1.281 11.262 1.00 0.00 O ATOM 268 CB LYS A 16 69.263 4.781 10.704 1.00 0.00 C ATOM 269 CG LYS A 16 69.673 5.852 9.677 1.00 0.00 C ATOM 270 CD LYS A 16 68.682 5.855 8.483 1.00 0.00 C ATOM 271 CE LYS A 16 67.580 6.899 8.712 1.00 0.00 C ATOM 272 NZ LYS A 16 66.684 6.942 7.521 1.00 0.00 N ATOM 0 H LYS A 16 70.299 4.292 8.412 1.00 0.00 H new ATOM 0 HA LYS A 16 70.769 3.205 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 68.177 4.740 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 16 69.646 5.046 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 16 69.687 6.834 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 16 70.684 5.656 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 69.216 6.076 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 16 68.238 4.866 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.006 6.648 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.023 7.880 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 65.822 7.476 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.177 7.407 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.427 5.973 7.245 1.00 0.00 H new ATOM 286 N GLY A 17 67.559 2.493 10.522 1.00 0.00 N ATOM 287 CA GLY A 17 66.544 1.477 10.947 1.00 0.00 C ATOM 288 C GLY A 17 65.782 0.946 9.735 1.00 0.00 C ATOM 289 O GLY A 17 65.115 -0.066 9.816 1.00 0.00 O ATOM 0 H GLY A 17 67.171 3.324 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 17 67.038 0.654 11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 17 65.847 1.924 11.655 1.00 0.00 H new ATOM 293 N LYS A 18 65.861 1.604 8.612 1.00 0.00 N ATOM 294 CA LYS A 18 65.111 1.082 7.429 1.00 0.00 C ATOM 295 C LYS A 18 65.680 -0.280 7.046 1.00 0.00 C ATOM 296 O LYS A 18 66.857 -0.419 6.779 1.00 0.00 O ATOM 297 CB LYS A 18 65.199 2.045 6.213 1.00 0.00 C ATOM 298 CG LYS A 18 65.574 3.456 6.667 1.00 0.00 C ATOM 299 CD LYS A 18 64.474 4.046 7.575 1.00 0.00 C ATOM 300 CE LYS A 18 63.375 4.694 6.723 1.00 0.00 C ATOM 301 NZ LYS A 18 62.378 5.347 7.617 1.00 0.00 N ATOM 0 H LYS A 18 66.397 2.459 8.460 1.00 0.00 H new ATOM 0 HA LYS A 18 64.059 0.996 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 18 65.940 1.677 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 18 64.242 2.068 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.522 3.431 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 18 65.718 4.097 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 18 64.046 3.260 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 18 64.906 4.786 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 18 63.810 5.429 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 18 62.887 3.941 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 61.632 5.787 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 61.956 4.634 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 62.850 6.076 8.189 1.00 0.00 H new ATOM 315 N ASN A 19 64.850 -1.279 6.979 1.00 0.00 N ATOM 316 CA ASN A 19 65.351 -2.613 6.568 1.00 0.00 C ATOM 317 C ASN A 19 65.820 -2.483 5.126 1.00 0.00 C ATOM 318 O ASN A 19 66.313 -3.413 4.519 1.00 0.00 O ATOM 319 CB ASN A 19 64.220 -3.632 6.654 1.00 0.00 C ATOM 320 CG ASN A 19 64.002 -4.037 8.114 1.00 0.00 C ATOM 321 OD1 ASN A 19 64.923 -4.460 8.784 1.00 0.00 O ATOM 322 ND2 ASN A 19 62.812 -3.923 8.639 1.00 0.00 N ATOM 0 H ASN A 19 63.853 -1.230 7.190 1.00 0.00 H new ATOM 0 HA ASN A 19 66.163 -2.946 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 19 63.304 -3.208 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 19 64.462 -4.510 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.656 -4.189 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 19 62.038 -3.568 8.077 1.00 0.00 H new ATOM 329 N LYS A 20 65.652 -1.311 4.584 1.00 0.00 N ATOM 330 CA LYS A 20 66.058 -1.047 3.184 1.00 0.00 C ATOM 331 C LYS A 20 67.583 -1.110 3.063 1.00 0.00 C ATOM 332 O LYS A 20 68.287 -1.445 3.994 1.00 0.00 O ATOM 333 CB LYS A 20 65.549 0.354 2.782 1.00 0.00 C ATOM 334 CG LYS A 20 64.943 0.325 1.370 1.00 0.00 C ATOM 335 CD LYS A 20 63.507 -0.235 1.418 1.00 0.00 C ATOM 336 CE LYS A 20 62.507 0.886 1.732 1.00 0.00 C ATOM 337 NZ LYS A 20 61.120 0.354 1.620 1.00 0.00 N ATOM 0 H LYS A 20 65.242 -0.511 5.065 1.00 0.00 H new ATOM 0 HA LYS A 20 65.629 -1.799 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.801 0.694 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 20 66.371 1.069 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.935 1.330 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 20 65.559 -0.290 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 63.258 -0.697 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 20 63.439 -1.015 2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 62.680 1.273 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 62.647 1.718 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 60.440 1.111 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 60.959 0.005 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 60.992 -0.426 2.296 1.00 0.00 H new ATOM 351 N LEU A 21 68.080 -0.771 1.909 1.00 0.00 N ATOM 352 CA LEU A 21 69.555 -0.777 1.660 1.00 0.00 C ATOM 353 C LEU A 21 69.909 0.505 0.909 1.00 0.00 C ATOM 354 O LEU A 21 69.055 1.119 0.299 1.00 0.00 O ATOM 355 CB LEU A 21 69.966 -1.984 0.799 1.00 0.00 C ATOM 356 CG LEU A 21 69.307 -3.274 1.312 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.419 -4.367 0.245 1.00 0.00 C ATOM 358 CD2 LEU A 21 70.020 -3.747 2.580 1.00 0.00 C ATOM 0 H LEU A 21 67.518 -0.483 1.108 1.00 0.00 H new ATOM 0 HA LEU A 21 70.080 -0.840 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.678 -1.811 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.050 -2.094 0.814 1.00 0.00 H new ATOM 0 HG LEU A 21 68.258 -3.075 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.951 -5.281 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.916 -4.040 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.470 -4.558 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.551 -4.662 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.069 -3.941 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.949 -2.975 3.347 1.00 0.00 H new ATOM 370 N VAL A 22 71.151 0.922 0.949 1.00 0.00 N ATOM 371 CA VAL A 22 71.550 2.182 0.231 1.00 0.00 C ATOM 372 C VAL A 22 72.765 1.893 -0.695 1.00 0.00 C ATOM 373 O VAL A 22 73.837 1.614 -0.195 1.00 0.00 O ATOM 374 CB VAL A 22 71.922 3.244 1.305 1.00 0.00 C ATOM 375 CG1 VAL A 22 73.046 4.178 0.816 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.686 4.096 1.629 1.00 0.00 C ATOM 0 H VAL A 22 71.906 0.449 1.445 1.00 0.00 H new ATOM 0 HA VAL A 22 70.732 2.551 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 22 72.272 2.713 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 22 73.278 4.906 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.936 3.590 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.720 4.700 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.945 4.841 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 22 70.343 4.598 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.892 3.455 2.011 1.00 0.00 H new ATOM 386 N PRO A 23 72.601 1.998 -2.014 1.00 0.00 N ATOM 387 CA PRO A 23 73.733 1.785 -2.937 1.00 0.00 C ATOM 388 C PRO A 23 74.872 2.755 -2.596 1.00 0.00 C ATOM 389 O PRO A 23 74.647 3.863 -2.150 1.00 0.00 O ATOM 390 CB PRO A 23 73.156 2.078 -4.339 1.00 0.00 C ATOM 391 CG PRO A 23 71.617 2.096 -4.196 1.00 0.00 C ATOM 392 CD PRO A 23 71.314 2.291 -2.696 1.00 0.00 C ATOM 0 HA PRO A 23 74.148 0.779 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.520 3.034 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.469 1.316 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.183 2.903 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.183 1.165 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.977 3.307 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.525 1.618 -2.360 1.00 0.00 H new ATOM 400 N ARG A 24 76.088 2.341 -2.802 1.00 0.00 N ATOM 401 CA ARG A 24 77.250 3.224 -2.492 1.00 0.00 C ATOM 402 C ARG A 24 78.426 2.821 -3.382 1.00 0.00 C ATOM 403 O ARG A 24 78.598 1.661 -3.697 1.00 0.00 O ATOM 404 CB ARG A 24 77.639 3.047 -1.016 1.00 0.00 C ATOM 405 CG ARG A 24 78.659 4.130 -0.590 1.00 0.00 C ATOM 406 CD ARG A 24 77.953 5.303 0.117 1.00 0.00 C ATOM 407 NE ARG A 24 76.574 5.481 -0.425 1.00 0.00 N ATOM 408 CZ ARG A 24 75.714 6.225 0.215 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.063 6.818 1.324 1.00 0.00 N ATOM 410 NH2 ARG A 24 74.506 6.379 -0.254 1.00 0.00 N ATOM 0 H ARG A 24 76.332 1.423 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 24 76.989 4.266 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.749 3.111 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.067 2.056 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.402 3.693 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.193 4.497 -1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.908 5.116 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 24 78.527 6.219 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 24 76.304 5.022 -1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.008 6.700 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.391 7.400 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 24 74.233 5.918 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 24 73.835 6.961 0.247 1.00 0.00 H new ATOM 424 N LEU A 25 79.250 3.758 -3.775 1.00 0.00 N ATOM 425 CA LEU A 25 80.434 3.420 -4.624 1.00 0.00 C ATOM 426 C LEU A 25 81.672 3.489 -3.725 1.00 0.00 C ATOM 427 O LEU A 25 81.770 4.349 -2.872 1.00 0.00 O ATOM 428 CB LEU A 25 80.552 4.432 -5.768 1.00 0.00 C ATOM 429 CG LEU A 25 79.351 4.309 -6.724 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.245 5.577 -7.582 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.524 3.102 -7.655 1.00 0.00 C ATOM 0 H LEU A 25 79.154 4.747 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 25 80.334 2.426 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.600 5.443 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.479 4.264 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 25 78.449 4.178 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.395 5.489 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.106 6.443 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.159 5.701 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.666 3.032 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.433 3.224 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.597 2.191 -7.060 1.00 0.00 H new ATOM 443 N LEU A 26 82.601 2.576 -3.883 1.00 0.00 N ATOM 444 CA LEU A 26 83.821 2.567 -3.007 1.00 0.00 C ATOM 445 C LEU A 26 85.091 2.655 -3.860 1.00 0.00 C ATOM 446 O LEU A 26 85.481 1.716 -4.524 1.00 0.00 O ATOM 447 CB LEU A 26 83.829 1.260 -2.206 1.00 0.00 C ATOM 448 CG LEU A 26 84.923 1.298 -1.127 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.542 2.276 0.002 1.00 0.00 C ATOM 450 CD2 LEU A 26 85.094 -0.110 -0.547 1.00 0.00 C ATOM 0 H LEU A 26 82.569 1.834 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 26 83.797 3.425 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.856 1.106 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.999 0.417 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 26 85.856 1.638 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.330 2.287 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.420 3.278 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.607 1.956 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.868 -0.096 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 26 84.153 -0.439 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.383 -0.798 -1.341 1.00 0.00 H new ATOM 462 N GLY A 27 85.734 3.788 -3.825 1.00 0.00 N ATOM 463 CA GLY A 27 86.985 3.995 -4.608 1.00 0.00 C ATOM 464 C GLY A 27 88.176 3.365 -3.892 1.00 0.00 C ATOM 465 O GLY A 27 88.474 3.686 -2.760 1.00 0.00 O ATOM 0 H GLY A 27 85.440 4.596 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.876 3.557 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.161 5.062 -4.748 1.00 0.00 H new ATOM 469 N ILE A 28 88.874 2.478 -4.555 1.00 0.00 N ATOM 470 CA ILE A 28 90.069 1.829 -3.934 1.00 0.00 C ATOM 471 C ILE A 28 91.328 2.478 -4.508 1.00 0.00 C ATOM 472 O ILE A 28 91.641 2.315 -5.671 1.00 0.00 O ATOM 473 CB ILE A 28 90.081 0.332 -4.270 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.689 -0.269 -4.036 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.101 -0.381 -3.381 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.190 0.091 -2.637 1.00 0.00 C ATOM 0 H ILE A 28 88.666 2.174 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 28 90.034 1.954 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 28 90.354 0.203 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.992 0.105 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.728 -1.352 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.110 -1.445 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 28 92.092 0.039 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.829 -0.246 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.201 -0.340 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.880 -0.304 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.132 1.175 -2.539 1.00 0.00 H new ATOM 488 N THR A 29 92.056 3.214 -3.709 1.00 0.00 N ATOM 489 CA THR A 29 93.296 3.872 -4.217 1.00 0.00 C ATOM 490 C THR A 29 94.497 2.983 -3.890 1.00 0.00 C ATOM 491 O THR A 29 94.385 2.014 -3.167 1.00 0.00 O ATOM 492 CB THR A 29 93.457 5.246 -3.542 1.00 0.00 C ATOM 493 OG1 THR A 29 92.174 5.827 -3.355 1.00 0.00 O ATOM 494 CG2 THR A 29 94.308 6.168 -4.422 1.00 0.00 C ATOM 0 H THR A 29 91.845 3.388 -2.726 1.00 0.00 H new ATOM 0 HA THR A 29 93.232 4.013 -5.296 1.00 0.00 H new ATOM 0 HB THR A 29 93.951 5.117 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.752 5.440 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.416 7.137 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.293 5.724 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.822 6.299 -5.389 1.00 0.00 H new ATOM 502 N LYS A 30 95.643 3.302 -4.417 1.00 0.00 N ATOM 503 CA LYS A 30 96.846 2.474 -4.135 1.00 0.00 C ATOM 504 C LYS A 30 97.379 2.820 -2.746 1.00 0.00 C ATOM 505 O LYS A 30 98.352 2.259 -2.284 1.00 0.00 O ATOM 506 CB LYS A 30 97.916 2.770 -5.193 1.00 0.00 C ATOM 507 CG LYS A 30 97.841 4.249 -5.579 1.00 0.00 C ATOM 508 CD LYS A 30 99.128 4.666 -6.295 1.00 0.00 C ATOM 509 CE LYS A 30 98.910 6.011 -6.994 1.00 0.00 C ATOM 510 NZ LYS A 30 100.229 6.656 -7.254 1.00 0.00 N ATOM 0 H LYS A 30 95.799 4.101 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 30 96.588 1.415 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.906 2.533 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.760 2.144 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.982 4.422 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.696 4.860 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.946 4.744 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.414 3.907 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.374 5.863 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 30 98.292 6.660 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.081 7.569 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 100.724 6.810 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.803 6.039 -7.863 1.00 0.00 H new ATOM 524 N GLU A 31 96.753 3.752 -2.081 1.00 0.00 N ATOM 525 CA GLU A 31 97.225 4.152 -0.725 1.00 0.00 C ATOM 526 C GLU A 31 96.037 4.539 0.157 1.00 0.00 C ATOM 527 O GLU A 31 96.210 5.012 1.263 1.00 0.00 O ATOM 528 CB GLU A 31 98.159 5.350 -0.868 1.00 0.00 C ATOM 529 CG GLU A 31 99.352 4.963 -1.735 1.00 0.00 C ATOM 530 CD GLU A 31 100.464 6.002 -1.577 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.355 7.053 -2.187 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.404 5.729 -0.850 1.00 0.00 O ATOM 0 H GLU A 31 95.933 4.255 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 31 97.748 3.316 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.626 6.189 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.500 5.678 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.718 3.978 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.048 4.897 -2.780 1.00 0.00 H new ATOM 539 N CYS A 32 94.832 4.353 -0.312 1.00 0.00 N ATOM 540 CA CYS A 32 93.660 4.729 0.531 1.00 0.00 C ATOM 541 C CYS A 32 92.351 4.273 -0.127 1.00 0.00 C ATOM 542 O CYS A 32 92.283 4.038 -1.317 1.00 0.00 O ATOM 543 CB CYS A 32 93.640 6.262 0.703 1.00 0.00 C ATOM 544 SG CYS A 32 94.409 7.041 -0.739 1.00 0.00 S ATOM 0 H CYS A 32 94.610 3.963 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 32 93.748 4.240 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.614 6.613 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.174 6.544 1.610 1.00 0.00 H new ATOM 0 HG CYS A 32 94.391 8.333 -0.596 1.00 0.00 H new ATOM 550 N VAL A 33 91.302 4.181 0.654 1.00 0.00 N ATOM 551 CA VAL A 33 89.966 3.782 0.112 1.00 0.00 C ATOM 552 C VAL A 33 89.089 5.032 0.103 1.00 0.00 C ATOM 553 O VAL A 33 89.073 5.777 1.062 1.00 0.00 O ATOM 554 CB VAL A 33 89.338 2.721 1.020 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.941 2.368 0.507 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.215 1.468 1.017 1.00 0.00 C ATOM 0 H VAL A 33 91.316 4.368 1.657 1.00 0.00 H new ATOM 0 HA VAL A 33 90.063 3.367 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 33 89.261 3.111 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.496 1.613 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.316 3.261 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.014 1.978 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.770 0.711 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.291 1.080 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.210 1.719 1.385 1.00 0.00 H new ATOM 566 N MET A 34 88.377 5.290 -0.967 1.00 0.00 N ATOM 567 CA MET A 34 87.528 6.523 -1.016 1.00 0.00 C ATOM 568 C MET A 34 86.063 6.177 -0.778 1.00 0.00 C ATOM 569 O MET A 34 85.536 5.241 -1.343 1.00 0.00 O ATOM 570 CB MET A 34 87.670 7.190 -2.391 1.00 0.00 C ATOM 571 CG MET A 34 89.104 7.021 -2.895 1.00 0.00 C ATOM 572 SD MET A 34 89.408 8.186 -4.246 1.00 0.00 S ATOM 573 CE MET A 34 89.941 9.588 -3.232 1.00 0.00 C ATOM 0 H MET A 34 88.346 4.706 -1.803 1.00 0.00 H new ATOM 0 HA MET A 34 87.862 7.204 -0.234 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.970 6.744 -3.097 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.420 8.249 -2.321 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.810 7.197 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.262 5.999 -3.239 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.267 10.402 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.110 9.927 -2.614 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.768 9.280 -2.592 1.00 0.00 H new ATOM 583 N ARG A 35 85.386 6.958 0.023 1.00 0.00 N ATOM 584 CA ARG A 35 83.937 6.699 0.254 1.00 0.00 C ATOM 585 C ARG A 35 83.190 7.560 -0.749 1.00 0.00 C ATOM 586 O ARG A 35 83.368 8.762 -0.788 1.00 0.00 O ATOM 587 CB ARG A 35 83.530 7.120 1.670 1.00 0.00 C ATOM 588 CG ARG A 35 84.082 6.128 2.720 1.00 0.00 C ATOM 589 CD ARG A 35 83.141 6.064 3.940 1.00 0.00 C ATOM 590 NE ARG A 35 82.440 7.368 4.109 1.00 0.00 N ATOM 591 CZ ARG A 35 81.392 7.449 4.883 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.954 6.385 5.501 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.780 8.590 5.037 1.00 0.00 N ATOM 0 H ARG A 35 85.772 7.759 0.524 1.00 0.00 H new ATOM 0 HA ARG A 35 83.713 5.638 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.905 8.122 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.443 7.165 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.183 5.137 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.078 6.439 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.413 5.264 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.712 5.829 4.838 1.00 0.00 H new ATOM 0 HE ARG A 35 82.779 8.197 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.431 5.492 5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.135 6.447 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.120 9.421 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.961 8.652 5.642 1.00 0.00 H new ATOM 607 N VAL A 36 82.387 6.963 -1.592 1.00 0.00 N ATOM 608 CA VAL A 36 81.670 7.762 -2.626 1.00 0.00 C ATOM 609 C VAL A 36 80.210 7.323 -2.725 1.00 0.00 C ATOM 610 O VAL A 36 79.908 6.167 -2.941 1.00 0.00 O ATOM 611 CB VAL A 36 82.368 7.544 -3.970 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.854 8.558 -4.997 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.883 7.707 -3.793 1.00 0.00 C ATOM 0 H VAL A 36 82.198 5.961 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 36 81.690 8.817 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 36 82.151 6.537 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.356 8.396 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.779 8.432 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.061 9.569 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.380 7.552 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.101 8.711 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.246 6.974 -3.073 1.00 0.00 H new ATOM 623 N ASP A 37 79.305 8.250 -2.578 1.00 0.00 N ATOM 624 CA ASP A 37 77.859 7.914 -2.669 1.00 0.00 C ATOM 625 C ASP A 37 77.531 7.499 -4.098 1.00 0.00 C ATOM 626 O ASP A 37 78.125 7.967 -5.042 1.00 0.00 O ATOM 627 CB ASP A 37 77.024 9.140 -2.285 1.00 0.00 C ATOM 628 CG ASP A 37 77.036 9.322 -0.764 1.00 0.00 C ATOM 629 OD1 ASP A 37 77.444 8.400 -0.077 1.00 0.00 O ATOM 630 OD2 ASP A 37 76.635 10.382 -0.312 1.00 0.00 O ATOM 0 H ASP A 37 79.508 9.233 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 37 77.628 7.094 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.425 10.030 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.000 9.018 -2.638 1.00 0.00 H new ATOM 635 N GLU A 38 76.584 6.625 -4.261 1.00 0.00 N ATOM 636 CA GLU A 38 76.198 6.171 -5.624 1.00 0.00 C ATOM 637 C GLU A 38 75.121 7.109 -6.136 1.00 0.00 C ATOM 638 O GLU A 38 74.912 7.278 -7.321 1.00 0.00 O ATOM 639 CB GLU A 38 75.642 4.758 -5.509 1.00 0.00 C ATOM 640 CG GLU A 38 75.548 4.097 -6.880 1.00 0.00 C ATOM 641 CD GLU A 38 74.414 4.734 -7.684 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.453 5.170 -7.072 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.525 4.776 -8.898 1.00 0.00 O ATOM 0 H GLU A 38 76.054 6.200 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 38 77.048 6.176 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.282 4.163 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.655 4.788 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.492 4.209 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.370 3.028 -6.767 1.00 0.00 H new ATOM 650 N LYS A 39 74.444 7.714 -5.220 1.00 0.00 N ATOM 651 CA LYS A 39 73.362 8.657 -5.562 1.00 0.00 C ATOM 652 C LYS A 39 73.965 9.928 -6.146 1.00 0.00 C ATOM 653 O LYS A 39 73.583 10.386 -7.205 1.00 0.00 O ATOM 654 CB LYS A 39 72.612 8.992 -4.281 1.00 0.00 C ATOM 655 CG LYS A 39 71.460 9.952 -4.586 1.00 0.00 C ATOM 656 CD LYS A 39 70.675 10.228 -3.304 1.00 0.00 C ATOM 657 CE LYS A 39 69.393 10.993 -3.641 1.00 0.00 C ATOM 658 NZ LYS A 39 68.545 11.103 -2.420 1.00 0.00 N ATOM 0 H LYS A 39 74.599 7.592 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 39 72.686 8.216 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.226 8.080 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.292 9.444 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.848 10.885 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.803 9.521 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.430 9.290 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.284 10.807 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.638 11.986 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.847 10.478 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 67.674 11.623 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.301 10.151 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.068 11.612 -1.679 1.00 0.00 H new ATOM 672 N THR A 40 74.900 10.507 -5.448 1.00 0.00 N ATOM 673 CA THR A 40 75.540 11.766 -5.931 1.00 0.00 C ATOM 674 C THR A 40 76.881 11.457 -6.597 1.00 0.00 C ATOM 675 O THR A 40 77.516 12.334 -7.148 1.00 0.00 O ATOM 676 CB THR A 40 75.778 12.696 -4.740 1.00 0.00 C ATOM 677 OG1 THR A 40 76.533 12.012 -3.750 1.00 0.00 O ATOM 678 CG2 THR A 40 74.435 13.126 -4.153 1.00 0.00 C ATOM 0 H THR A 40 75.253 10.161 -4.556 1.00 0.00 H new ATOM 0 HA THR A 40 74.882 12.243 -6.657 1.00 0.00 H new ATOM 0 HB THR A 40 76.327 13.578 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.688 12.607 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.604 13.789 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 40 73.857 13.651 -4.914 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.884 12.246 -3.822 1.00 0.00 H new ATOM 686 N LYS A 41 77.335 10.229 -6.556 1.00 0.00 N ATOM 687 CA LYS A 41 78.645 9.923 -7.196 1.00 0.00 C ATOM 688 C LYS A 41 79.692 10.910 -6.674 1.00 0.00 C ATOM 689 O LYS A 41 80.695 11.166 -7.310 1.00 0.00 O ATOM 690 CB LYS A 41 78.508 10.067 -8.712 1.00 0.00 C ATOM 691 CG LYS A 41 77.279 9.286 -9.181 1.00 0.00 C ATOM 692 CD LYS A 41 77.306 9.155 -10.705 1.00 0.00 C ATOM 693 CE LYS A 41 77.462 10.538 -11.346 1.00 0.00 C ATOM 694 NZ LYS A 41 76.985 10.486 -12.757 1.00 0.00 N ATOM 0 H LYS A 41 76.863 9.440 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 41 78.952 8.905 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.411 11.118 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.403 9.692 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.266 8.298 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.369 9.796 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.130 8.509 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.387 8.684 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.891 11.278 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 41 78.506 10.850 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.090 11.424 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.548 9.792 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 75.984 10.206 -12.775 1.00 0.00 H new ATOM 708 N GLU A 42 79.457 11.469 -5.510 1.00 0.00 N ATOM 709 CA GLU A 42 80.424 12.450 -4.922 1.00 0.00 C ATOM 710 C GLU A 42 81.268 11.740 -3.857 1.00 0.00 C ATOM 711 O GLU A 42 80.908 10.690 -3.377 1.00 0.00 O ATOM 712 CB GLU A 42 79.628 13.615 -4.286 1.00 0.00 C ATOM 713 CG GLU A 42 80.011 14.950 -4.933 1.00 0.00 C ATOM 714 CD GLU A 42 79.480 14.996 -6.367 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.316 15.320 -6.537 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.246 14.706 -7.271 1.00 0.00 O ATOM 0 H GLU A 42 78.632 11.286 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 42 81.084 12.846 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.559 13.440 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.825 13.655 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.599 15.777 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.095 15.069 -4.932 1.00 0.00 H new ATOM 723 N VAL A 43 82.379 12.318 -3.481 1.00 0.00 N ATOM 724 CA VAL A 43 83.250 11.683 -2.440 1.00 0.00 C ATOM 725 C VAL A 43 82.775 12.107 -1.049 1.00 0.00 C ATOM 726 O VAL A 43 82.614 13.278 -0.768 1.00 0.00 O ATOM 727 CB VAL A 43 84.705 12.126 -2.648 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.564 11.656 -1.470 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.243 11.510 -3.940 1.00 0.00 C ATOM 0 H VAL A 43 82.724 13.205 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 43 83.189 10.598 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 43 84.743 13.213 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.596 11.973 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.184 12.091 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.525 10.569 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.276 11.823 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.200 10.423 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.637 11.844 -4.782 1.00 0.00 H new ATOM 739 N ILE A 44 82.546 11.155 -0.176 1.00 0.00 N ATOM 740 CA ILE A 44 82.075 11.483 1.202 1.00 0.00 C ATOM 741 C ILE A 44 83.231 11.366 2.196 1.00 0.00 C ATOM 742 O ILE A 44 83.274 12.066 3.188 1.00 0.00 O ATOM 743 CB ILE A 44 80.969 10.507 1.603 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.929 10.410 0.478 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.296 11.005 2.882 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.466 11.810 0.062 1.00 0.00 C ATOM 0 H ILE A 44 82.667 10.160 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 44 81.695 12.504 1.214 1.00 0.00 H new ATOM 0 HB ILE A 44 81.400 9.521 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.358 9.891 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.075 9.821 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.506 10.312 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.035 11.068 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.866 11.991 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.729 11.727 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.018 12.315 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.321 12.386 -0.292 1.00 0.00 H new ATOM 758 N GLN A 45 84.165 10.485 1.956 1.00 0.00 N ATOM 759 CA GLN A 45 85.297 10.343 2.917 1.00 0.00 C ATOM 760 C GLN A 45 86.391 9.450 2.330 1.00 0.00 C ATOM 761 O GLN A 45 86.197 8.763 1.351 1.00 0.00 O ATOM 762 CB GLN A 45 84.791 9.731 4.228 1.00 0.00 C ATOM 763 CG GLN A 45 85.941 9.648 5.239 1.00 0.00 C ATOM 764 CD GLN A 45 85.377 9.506 6.653 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.189 9.326 6.833 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.187 9.582 7.672 1.00 0.00 N ATOM 0 H GLN A 45 84.194 9.865 1.147 1.00 0.00 H new ATOM 0 HA GLN A 45 85.713 11.332 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.981 10.336 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.384 8.737 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.582 8.798 5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.561 10.542 5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.184 9.733 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.823 9.490 8.621 1.00 0.00 H new ATOM 775 N GLU A 46 87.545 9.468 2.937 1.00 0.00 N ATOM 776 CA GLU A 46 88.693 8.641 2.462 1.00 0.00 C ATOM 777 C GLU A 46 89.352 7.949 3.660 1.00 0.00 C ATOM 778 O GLU A 46 89.189 8.356 4.793 1.00 0.00 O ATOM 779 CB GLU A 46 89.714 9.545 1.756 1.00 0.00 C ATOM 780 CG GLU A 46 89.281 9.782 0.307 1.00 0.00 C ATOM 781 CD GLU A 46 90.059 10.966 -0.272 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.161 10.751 -0.747 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.539 12.069 -0.227 1.00 0.00 O ATOM 0 H GLU A 46 87.746 10.034 3.761 1.00 0.00 H new ATOM 0 HA GLU A 46 88.337 7.885 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.795 10.497 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.701 9.082 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.463 8.888 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.210 9.981 0.264 1.00 0.00 H new ATOM 790 N TRP A 47 90.093 6.899 3.409 1.00 0.00 N ATOM 791 CA TRP A 47 90.769 6.158 4.516 1.00 0.00 C ATOM 792 C TRP A 47 92.175 5.765 4.071 1.00 0.00 C ATOM 793 O TRP A 47 92.435 5.597 2.902 1.00 0.00 O ATOM 794 CB TRP A 47 89.979 4.891 4.834 1.00 0.00 C ATOM 795 CG TRP A 47 88.694 5.256 5.505 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.529 5.511 4.866 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.421 5.410 6.928 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.561 5.813 5.805 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.061 5.764 7.089 1.00 0.00 C ATOM 800 CE3 TRP A 47 89.212 5.280 8.084 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.504 5.981 8.347 1.00 0.00 C ATOM 802 CZ3 TRP A 47 88.654 5.498 9.355 1.00 0.00 C ATOM 803 CH2 TRP A 47 87.302 5.848 9.486 1.00 0.00 C ATOM 0 H TRP A 47 90.259 6.521 2.476 1.00 0.00 H new ATOM 0 HA TRP A 47 90.821 6.793 5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.778 4.336 3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.565 4.237 5.480 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.380 5.483 3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.594 6.044 5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 47 90.254 5.011 7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.462 6.250 8.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 89.270 5.395 10.236 1.00 0.00 H new ATOM 0 HH2 TRP A 47 86.879 6.014 10.466 1.00 0.00 H new ATOM 814 N SER A 48 93.081 5.604 4.994 1.00 0.00 N ATOM 815 CA SER A 48 94.469 5.209 4.612 1.00 0.00 C ATOM 816 C SER A 48 94.539 3.686 4.490 1.00 0.00 C ATOM 817 O SER A 48 93.930 2.966 5.256 1.00 0.00 O ATOM 818 CB SER A 48 95.454 5.687 5.684 1.00 0.00 C ATOM 819 OG SER A 48 95.649 4.655 6.642 1.00 0.00 O ATOM 0 H SER A 48 92.923 5.728 5.994 1.00 0.00 H new ATOM 0 HA SER A 48 94.732 5.666 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.405 5.956 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 48 95.071 6.583 6.172 1.00 0.00 H new ATOM 0 HG SER A 48 96.591 4.383 6.643 1.00 0.00 H new ATOM 825 N LEU A 49 95.274 3.187 3.535 1.00 0.00 N ATOM 826 CA LEU A 49 95.374 1.712 3.373 1.00 0.00 C ATOM 827 C LEU A 49 96.139 1.134 4.571 1.00 0.00 C ATOM 828 O LEU A 49 95.986 -0.019 4.921 1.00 0.00 O ATOM 829 CB LEU A 49 96.115 1.394 2.048 1.00 0.00 C ATOM 830 CG LEU A 49 95.120 0.898 0.981 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.731 1.060 -0.418 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.793 -0.582 1.229 1.00 0.00 C ATOM 0 H LEU A 49 95.808 3.737 2.862 1.00 0.00 H new ATOM 0 HA LEU A 49 94.381 1.264 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.629 2.285 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.878 0.635 2.224 1.00 0.00 H new ATOM 0 HG LEU A 49 94.206 1.488 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.022 0.707 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.956 2.111 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.649 0.476 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.089 -0.931 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.708 -1.171 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.349 -0.696 2.218 1.00 0.00 H new ATOM 844 N THR A 50 96.962 1.929 5.199 1.00 0.00 N ATOM 845 CA THR A 50 97.735 1.429 6.367 1.00 0.00 C ATOM 846 C THR A 50 96.847 1.439 7.613 1.00 0.00 C ATOM 847 O THR A 50 97.234 0.971 8.665 1.00 0.00 O ATOM 848 CB THR A 50 98.948 2.333 6.597 1.00 0.00 C ATOM 849 OG1 THR A 50 98.509 3.667 6.809 1.00 0.00 O ATOM 850 CG2 THR A 50 99.861 2.282 5.373 1.00 0.00 C ATOM 0 H THR A 50 97.131 2.904 4.952 1.00 0.00 H new ATOM 0 HA THR A 50 98.070 0.410 6.171 1.00 0.00 H new ATOM 0 HB THR A 50 99.498 1.989 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.285 4.247 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.725 2.926 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.197 1.258 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.313 2.626 4.496 1.00 0.00 H new ATOM 858 N ASN A 51 95.658 1.971 7.504 1.00 0.00 N ATOM 859 CA ASN A 51 94.744 2.011 8.685 1.00 0.00 C ATOM 860 C ASN A 51 93.914 0.724 8.733 1.00 0.00 C ATOM 861 O ASN A 51 93.538 0.258 9.790 1.00 0.00 O ATOM 862 CB ASN A 51 93.809 3.224 8.569 1.00 0.00 C ATOM 863 CG ASN A 51 94.548 4.494 9.001 1.00 0.00 C ATOM 864 OD1 ASN A 51 95.634 4.426 9.542 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.000 5.659 8.784 1.00 0.00 N ATOM 0 H ASN A 51 95.280 2.379 6.649 1.00 0.00 H new ATOM 0 HA ASN A 51 95.333 2.095 9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.459 3.328 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.927 3.076 9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.483 6.511 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.088 5.717 8.330 1.00 0.00 H new ATOM 872 N ILE A 52 93.626 0.144 7.599 1.00 0.00 N ATOM 873 CA ILE A 52 92.823 -1.111 7.592 1.00 0.00 C ATOM 874 C ILE A 52 93.548 -2.179 8.411 1.00 0.00 C ATOM 875 O ILE A 52 94.666 -2.551 8.114 1.00 0.00 O ATOM 876 CB ILE A 52 92.645 -1.601 6.151 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.849 -0.557 5.359 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.887 -2.933 6.153 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.812 -0.943 3.878 1.00 0.00 C ATOM 0 H ILE A 52 93.911 0.484 6.681 1.00 0.00 H new ATOM 0 HA ILE A 52 91.843 -0.919 8.029 1.00 0.00 H new ATOM 0 HB ILE A 52 93.622 -1.744 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.834 -0.487 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.305 0.426 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.761 -3.281 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.452 -3.672 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.908 -2.794 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.245 -0.197 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.829 -0.990 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.336 -1.917 3.768 1.00 0.00 H new ATOM 891 N LYS A 53 92.922 -2.674 9.445 1.00 0.00 N ATOM 892 CA LYS A 53 93.573 -3.716 10.291 1.00 0.00 C ATOM 893 C LYS A 53 93.298 -5.101 9.688 1.00 0.00 C ATOM 894 O LYS A 53 94.199 -5.893 9.489 1.00 0.00 O ATOM 895 CB LYS A 53 92.998 -3.633 11.723 1.00 0.00 C ATOM 896 CG LYS A 53 94.088 -3.965 12.760 1.00 0.00 C ATOM 897 CD LYS A 53 93.443 -4.404 14.091 1.00 0.00 C ATOM 898 CE LYS A 53 93.184 -5.915 14.073 1.00 0.00 C ATOM 899 NZ LYS A 53 94.470 -6.639 14.279 1.00 0.00 N ATOM 0 H LYS A 53 91.985 -2.401 9.741 1.00 0.00 H new ATOM 0 HA LYS A 53 94.650 -3.553 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 53 92.605 -2.633 11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.164 -4.327 11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 53 94.731 -4.759 12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.721 -3.093 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.098 -4.149 14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.507 -3.868 14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.474 -6.183 14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.737 -6.207 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.309 -7.465 14.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.841 -6.955 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.158 -6.003 14.730 1.00 0.00 H new ATOM 913 N ARG A 54 92.059 -5.397 9.397 1.00 0.00 N ATOM 914 CA ARG A 54 91.720 -6.727 8.809 1.00 0.00 C ATOM 915 C ARG A 54 90.443 -6.609 7.986 1.00 0.00 C ATOM 916 O ARG A 54 89.833 -5.560 7.910 1.00 0.00 O ATOM 917 CB ARG A 54 91.481 -7.742 9.934 1.00 0.00 C ATOM 918 CG ARG A 54 90.484 -7.164 10.953 1.00 0.00 C ATOM 919 CD ARG A 54 89.851 -8.289 11.783 1.00 0.00 C ATOM 920 NE ARG A 54 89.385 -7.725 13.084 1.00 0.00 N ATOM 921 CZ ARG A 54 88.624 -8.437 13.871 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.291 -9.653 13.532 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.199 -7.935 14.998 1.00 0.00 N ATOM 0 H ARG A 54 91.265 -4.774 9.541 1.00 0.00 H new ATOM 0 HA ARG A 54 92.545 -7.057 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.094 -8.673 9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.423 -7.980 10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 54 90.994 -6.461 11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.706 -6.606 10.433 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.014 -8.731 11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.576 -9.085 11.955 1.00 0.00 H new ATOM 0 HE ARG A 54 89.661 -6.782 13.359 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.625 -10.047 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.697 -10.209 14.147 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.461 -6.986 15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.605 -8.492 15.612 1.00 0.00 H new ATOM 937 N TRP A 55 90.018 -7.685 7.390 1.00 0.00 N ATOM 938 CA TRP A 55 88.761 -7.644 6.596 1.00 0.00 C ATOM 939 C TRP A 55 88.191 -9.050 6.475 1.00 0.00 C ATOM 940 O TRP A 55 88.823 -10.019 6.824 1.00 0.00 O ATOM 941 CB TRP A 55 89.029 -7.071 5.199 1.00 0.00 C ATOM 942 CG TRP A 55 90.096 -7.863 4.511 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.913 -9.072 3.933 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.498 -7.519 4.303 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.115 -9.499 3.396 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.120 -8.574 3.594 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.282 -6.408 4.659 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.470 -8.529 3.251 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.642 -6.360 4.314 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.234 -7.418 3.610 1.00 0.00 C ATOM 0 H TRP A 55 90.486 -8.591 7.418 1.00 0.00 H new ATOM 0 HA TRP A 55 88.043 -7.001 7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.113 -7.091 4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.335 -6.028 5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.981 -9.616 3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.242 -10.388 2.913 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.836 -5.587 5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.922 -9.348 2.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.236 -5.502 4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.280 -7.373 3.346 1.00 0.00 H new ATOM 961 N ALA A 56 86.994 -9.163 5.983 1.00 0.00 N ATOM 962 CA ALA A 56 86.368 -10.506 5.819 1.00 0.00 C ATOM 963 C ALA A 56 85.455 -10.452 4.596 1.00 0.00 C ATOM 964 O ALA A 56 84.402 -9.847 4.625 1.00 0.00 O ATOM 965 CB ALA A 56 85.559 -10.860 7.071 1.00 0.00 C ATOM 0 H ALA A 56 86.415 -8.378 5.684 1.00 0.00 H new ATOM 0 HA ALA A 56 87.133 -11.270 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.104 -11.842 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.219 -10.874 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.778 -10.115 7.222 1.00 0.00 H new ATOM 971 N ALA A 57 85.862 -11.053 3.512 1.00 0.00 N ATOM 972 CA ALA A 57 85.034 -11.013 2.270 1.00 0.00 C ATOM 973 C ALA A 57 84.236 -12.303 2.108 1.00 0.00 C ATOM 974 O ALA A 57 84.711 -13.385 2.389 1.00 0.00 O ATOM 975 CB ALA A 57 85.959 -10.852 1.068 1.00 0.00 C ATOM 0 H ALA A 57 86.736 -11.573 3.431 1.00 0.00 H new ATOM 0 HA ALA A 57 84.338 -10.177 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.366 -10.821 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.524 -9.925 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.649 -11.695 1.025 1.00 0.00 H new ATOM 981 N SER A 58 83.023 -12.189 1.633 1.00 0.00 N ATOM 982 CA SER A 58 82.172 -13.390 1.418 1.00 0.00 C ATOM 983 C SER A 58 81.316 -13.144 0.160 1.00 0.00 C ATOM 984 O SER A 58 81.125 -12.007 -0.224 1.00 0.00 O ATOM 985 CB SER A 58 81.279 -13.603 2.650 1.00 0.00 C ATOM 986 OG SER A 58 81.859 -14.603 3.477 1.00 0.00 O ATOM 0 H SER A 58 82.584 -11.303 1.383 1.00 0.00 H new ATOM 0 HA SER A 58 82.781 -14.283 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 58 81.175 -12.670 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 58 80.278 -13.904 2.341 1.00 0.00 H new ATOM 0 HG SER A 58 81.295 -14.743 4.266 1.00 0.00 H new ATOM 992 N PRO A 59 80.823 -14.199 -0.453 1.00 0.00 N ATOM 993 CA PRO A 59 79.990 -14.068 -1.669 1.00 0.00 C ATOM 994 C PRO A 59 78.712 -13.254 -1.382 1.00 0.00 C ATOM 995 O PRO A 59 77.694 -13.461 -2.011 1.00 0.00 O ATOM 996 CB PRO A 59 79.640 -15.526 -2.057 1.00 0.00 C ATOM 997 CG PRO A 59 80.103 -16.433 -0.885 1.00 0.00 C ATOM 998 CD PRO A 59 81.048 -15.593 -0.008 1.00 0.00 C ATOM 0 HA PRO A 59 80.509 -13.538 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.569 -15.633 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 59 80.140 -15.809 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 59 79.247 -16.781 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.614 -17.319 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.819 -15.714 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 59 82.087 -15.891 -0.146 1.00 0.00 H new ATOM 1006 N LYS A 60 78.740 -12.341 -0.443 1.00 0.00 N ATOM 1007 CA LYS A 60 77.508 -11.553 -0.148 1.00 0.00 C ATOM 1008 C LYS A 60 77.869 -10.162 0.373 1.00 0.00 C ATOM 1009 O LYS A 60 77.238 -9.182 0.030 1.00 0.00 O ATOM 1010 CB LYS A 60 76.706 -12.288 0.923 1.00 0.00 C ATOM 1011 CG LYS A 60 77.493 -12.301 2.240 1.00 0.00 C ATOM 1012 CD LYS A 60 77.024 -13.465 3.113 1.00 0.00 C ATOM 1013 CE LYS A 60 77.550 -13.283 4.537 1.00 0.00 C ATOM 1014 NZ LYS A 60 79.038 -13.365 4.532 1.00 0.00 N ATOM 0 H LYS A 60 79.555 -12.110 0.126 1.00 0.00 H new ATOM 0 HA LYS A 60 76.926 -11.445 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.742 -11.800 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 60 76.501 -13.309 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.560 -12.395 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 77.351 -11.358 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.935 -13.512 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 60 77.381 -14.409 2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 60 77.230 -12.320 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 60 77.135 -14.051 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 79.391 -13.326 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.335 -14.259 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.428 -12.567 3.991 1.00 0.00 H new ATOM 1028 N SER A 61 78.856 -10.066 1.222 1.00 0.00 N ATOM 1029 CA SER A 61 79.224 -8.728 1.785 1.00 0.00 C ATOM 1030 C SER A 61 80.733 -8.621 2.019 1.00 0.00 C ATOM 1031 O SER A 61 81.461 -9.593 1.975 1.00 0.00 O ATOM 1032 CB SER A 61 78.499 -8.537 3.115 1.00 0.00 C ATOM 1033 OG SER A 61 77.098 -8.479 2.883 1.00 0.00 O ATOM 0 H SER A 61 79.422 -10.848 1.551 1.00 0.00 H new ATOM 0 HA SER A 61 78.932 -7.958 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.733 -9.359 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.837 -7.620 3.598 1.00 0.00 H new ATOM 0 HG SER A 61 76.630 -8.358 3.735 1.00 0.00 H new ATOM 1039 N PHE A 62 81.193 -7.421 2.278 1.00 0.00 N ATOM 1040 CA PHE A 62 82.648 -7.172 2.535 1.00 0.00 C ATOM 1041 C PHE A 62 82.779 -6.407 3.856 1.00 0.00 C ATOM 1042 O PHE A 62 81.978 -5.543 4.153 1.00 0.00 O ATOM 1043 CB PHE A 62 83.227 -6.329 1.394 1.00 0.00 C ATOM 1044 CG PHE A 62 84.704 -6.080 1.630 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.598 -7.156 1.661 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.179 -4.773 1.814 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.963 -6.930 1.875 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.545 -4.549 2.028 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.436 -5.626 2.059 1.00 0.00 C ATOM 0 H PHE A 62 80.609 -6.586 2.323 1.00 0.00 H new ATOM 0 HA PHE A 62 83.190 -8.116 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.084 -6.842 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.696 -5.379 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.234 -8.163 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.492 -3.940 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.651 -7.762 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.911 -3.543 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.489 -5.452 2.225 1.00 0.00 H new ATOM 1059 N THR A 63 83.767 -6.724 4.662 1.00 0.00 N ATOM 1060 CA THR A 63 83.930 -6.021 5.979 1.00 0.00 C ATOM 1061 C THR A 63 85.384 -5.586 6.164 1.00 0.00 C ATOM 1062 O THR A 63 86.298 -6.275 5.775 1.00 0.00 O ATOM 1063 CB THR A 63 83.539 -6.987 7.107 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.136 -7.209 7.071 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.926 -6.399 8.469 1.00 0.00 C ATOM 0 H THR A 63 84.468 -7.439 4.466 1.00 0.00 H new ATOM 0 HA THR A 63 83.291 -5.138 6.002 1.00 0.00 H new ATOM 0 HB THR A 63 84.068 -7.930 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.884 -7.827 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.643 -7.094 9.259 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.003 -6.232 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.408 -5.451 8.617 1.00 0.00 H new ATOM 1073 N LEU A 64 85.597 -4.445 6.776 1.00 0.00 N ATOM 1074 CA LEU A 64 86.993 -3.953 7.021 1.00 0.00 C ATOM 1075 C LEU A 64 87.073 -3.412 8.450 1.00 0.00 C ATOM 1076 O LEU A 64 86.077 -3.042 9.039 1.00 0.00 O ATOM 1077 CB LEU A 64 87.355 -2.837 6.023 1.00 0.00 C ATOM 1078 CG LEU A 64 86.110 -1.973 5.719 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.536 -0.526 5.428 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.349 -2.541 4.501 1.00 0.00 C ATOM 0 H LEU A 64 84.860 -3.829 7.119 1.00 0.00 H new ATOM 0 HA LEU A 64 87.697 -4.774 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.148 -2.213 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.739 -3.273 5.101 1.00 0.00 H new ATOM 0 HG LEU A 64 85.453 -1.990 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.654 0.077 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.054 -0.118 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.204 -0.510 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.474 -1.923 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.004 -2.540 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.031 -3.561 4.714 1.00 0.00 H new ATOM 1092 N ASP A 65 88.255 -3.370 9.011 1.00 0.00 N ATOM 1093 CA ASP A 65 88.422 -2.858 10.412 1.00 0.00 C ATOM 1094 C ASP A 65 89.540 -1.818 10.442 1.00 0.00 C ATOM 1095 O ASP A 65 90.653 -2.075 10.031 1.00 0.00 O ATOM 1096 CB ASP A 65 88.792 -4.015 11.348 1.00 0.00 C ATOM 1097 CG ASP A 65 87.739 -5.123 11.248 1.00 0.00 C ATOM 1098 OD1 ASP A 65 86.765 -4.929 10.541 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.922 -6.146 11.888 1.00 0.00 O ATOM 0 H ASP A 65 89.119 -3.669 8.559 1.00 0.00 H new ATOM 0 HA ASP A 65 87.486 -2.408 10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.773 -4.409 11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.859 -3.656 12.375 1.00 0.00 H new ATOM 1104 N PHE A 66 89.252 -0.644 10.934 1.00 0.00 N ATOM 1105 CA PHE A 66 90.295 0.419 11.005 1.00 0.00 C ATOM 1106 C PHE A 66 90.956 0.365 12.379 1.00 0.00 C ATOM 1107 O PHE A 66 91.863 1.116 12.678 1.00 0.00 O ATOM 1108 CB PHE A 66 89.637 1.786 10.812 1.00 0.00 C ATOM 1109 CG PHE A 66 89.126 1.903 9.392 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.031 1.917 8.324 1.00 0.00 C ATOM 1111 CD2 PHE A 66 87.750 1.998 9.143 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.563 2.026 7.009 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.283 2.106 7.827 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.189 2.120 6.760 1.00 0.00 C ATOM 0 H PHE A 66 88.336 -0.374 11.291 1.00 0.00 H new ATOM 0 HA PHE A 66 91.041 0.263 10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 66 88.815 1.909 11.517 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.355 2.580 11.018 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.091 1.844 8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.050 1.988 9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.263 2.038 6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.223 2.179 7.635 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.828 2.203 5.746 1.00 0.00 H new ATOM 1124 N GLY A 67 90.500 -0.522 13.219 1.00 0.00 N ATOM 1125 CA GLY A 67 91.087 -0.637 14.584 1.00 0.00 C ATOM 1126 C GLY A 67 90.418 0.377 15.510 1.00 0.00 C ATOM 1127 O GLY A 67 90.644 0.386 16.704 1.00 0.00 O ATOM 0 H GLY A 67 89.743 -1.175 13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 67 90.945 -1.647 14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.162 -0.458 14.546 1.00 0.00 H new ATOM 1131 N ASP A 68 89.593 1.236 14.970 1.00 0.00 N ATOM 1132 CA ASP A 68 88.910 2.253 15.821 1.00 0.00 C ATOM 1133 C ASP A 68 87.608 1.671 16.376 1.00 0.00 C ATOM 1134 O ASP A 68 86.545 1.858 15.817 1.00 0.00 O ATOM 1135 CB ASP A 68 88.600 3.493 14.981 1.00 0.00 C ATOM 1136 CG ASP A 68 89.776 3.790 14.049 1.00 0.00 C ATOM 1137 OD1 ASP A 68 90.166 2.897 13.316 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.267 4.906 14.085 1.00 0.00 O ATOM 0 H ASP A 68 89.363 1.277 13.977 1.00 0.00 H new ATOM 0 HA ASP A 68 89.562 2.528 16.650 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.693 3.332 14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 68 88.414 4.348 15.631 1.00 0.00 H new ATOM 1143 N TYR A 69 87.678 0.973 17.477 1.00 0.00 N ATOM 1144 CA TYR A 69 86.442 0.391 18.068 1.00 0.00 C ATOM 1145 C TYR A 69 85.356 1.467 18.122 1.00 0.00 C ATOM 1146 O TYR A 69 84.211 1.230 17.791 1.00 0.00 O ATOM 1147 CB TYR A 69 86.741 -0.104 19.483 1.00 0.00 C ATOM 1148 CG TYR A 69 85.458 -0.562 20.133 1.00 0.00 C ATOM 1149 CD1 TYR A 69 84.931 -1.819 19.823 1.00 0.00 C ATOM 1150 CD2 TYR A 69 84.795 0.272 21.040 1.00 0.00 C ATOM 1151 CE1 TYR A 69 83.740 -2.246 20.422 1.00 0.00 C ATOM 1152 CE2 TYR A 69 83.603 -0.153 21.640 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.076 -1.413 21.330 1.00 0.00 C ATOM 1154 OH TYR A 69 81.901 -1.833 21.920 1.00 0.00 O ATOM 0 H TYR A 69 88.538 0.781 17.992 1.00 0.00 H new ATOM 0 HA TYR A 69 86.100 -0.444 17.457 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.458 -0.924 19.450 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.196 0.693 20.071 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.443 -2.461 19.121 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.202 1.244 21.277 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.334 -3.218 20.184 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.091 0.490 22.341 1.00 0.00 H new ATOM 0 HH TYR A 69 81.571 -1.136 22.525 1.00 0.00 H new ATOM 1164 N GLN A 70 85.716 2.650 18.532 1.00 0.00 N ATOM 1165 CA GLN A 70 84.719 3.754 18.607 1.00 0.00 C ATOM 1166 C GLN A 70 83.957 3.831 17.280 1.00 0.00 C ATOM 1167 O GLN A 70 82.755 3.658 17.231 1.00 0.00 O ATOM 1168 CB GLN A 70 85.443 5.092 18.880 1.00 0.00 C ATOM 1169 CG GLN A 70 86.891 5.030 18.366 1.00 0.00 C ATOM 1170 CD GLN A 70 87.799 4.398 19.427 1.00 0.00 C ATOM 1171 OE1 GLN A 70 87.675 4.689 20.600 1.00 0.00 O ATOM 1172 NE2 GLN A 70 88.712 3.542 19.062 1.00 0.00 N ATOM 0 H GLN A 70 86.662 2.901 18.820 1.00 0.00 H new ATOM 0 HA GLN A 70 84.017 3.562 19.418 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.911 5.908 18.391 1.00 0.00 H new ATOM 0 HB3 GLN A 70 85.438 5.304 19.949 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.934 4.448 17.446 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.243 6.033 18.125 1.00 0.00 H new ATOM 0 HE21 GLN A 70 88.817 3.297 18.077 1.00 0.00 H new ATOM 0 HE22 GLN A 70 89.321 3.117 19.761 1.00 0.00 H new ATOM 1181 N ASP A 71 84.648 4.085 16.205 1.00 0.00 N ATOM 1182 CA ASP A 71 83.966 4.168 14.890 1.00 0.00 C ATOM 1183 C ASP A 71 83.293 2.829 14.600 1.00 0.00 C ATOM 1184 O ASP A 71 82.279 2.757 13.934 1.00 0.00 O ATOM 1185 CB ASP A 71 84.999 4.476 13.808 1.00 0.00 C ATOM 1186 CG ASP A 71 84.296 4.995 12.551 1.00 0.00 C ATOM 1187 OD1 ASP A 71 83.373 4.338 12.098 1.00 0.00 O ATOM 1188 OD2 ASP A 71 84.692 6.041 12.064 1.00 0.00 O ATOM 0 H ASP A 71 85.656 4.238 16.183 1.00 0.00 H new ATOM 0 HA ASP A 71 83.215 4.958 14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.709 5.219 14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.570 3.578 13.572 1.00 0.00 H new ATOM 1193 N GLY A 72 83.858 1.768 15.102 1.00 0.00 N ATOM 1194 CA GLY A 72 83.267 0.423 14.869 1.00 0.00 C ATOM 1195 C GLY A 72 83.690 -0.087 13.492 1.00 0.00 C ATOM 1196 O GLY A 72 84.310 0.619 12.721 1.00 0.00 O ATOM 0 H GLY A 72 84.708 1.775 15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.597 -0.270 15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.180 0.476 14.931 1.00 0.00 H new ATOM 1200 N TYR A 73 83.364 -1.310 13.176 1.00 0.00 N ATOM 1201 CA TYR A 73 83.752 -1.862 11.848 1.00 0.00 C ATOM 1202 C TYR A 73 82.902 -1.213 10.756 1.00 0.00 C ATOM 1203 O TYR A 73 81.918 -0.553 11.028 1.00 0.00 O ATOM 1204 CB TYR A 73 83.523 -3.376 11.832 1.00 0.00 C ATOM 1205 CG TYR A 73 84.215 -4.011 13.017 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.604 -3.912 13.145 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.472 -4.700 13.983 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.252 -4.500 14.237 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.119 -5.289 15.076 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.510 -5.188 15.204 1.00 0.00 C ATOM 1211 OH TYR A 73 86.148 -5.768 16.281 1.00 0.00 O ATOM 0 H TYR A 73 82.847 -1.950 13.779 1.00 0.00 H new ATOM 0 HA TYR A 73 84.806 -1.651 11.666 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.455 -3.592 11.864 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.906 -3.801 10.904 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.178 -3.381 12.400 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.399 -4.777 13.885 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.325 -4.423 14.334 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.545 -5.821 15.820 1.00 0.00 H new ATOM 0 HH TYR A 73 85.486 -6.205 16.857 1.00 0.00 H new ATOM 1221 N TYR A 74 83.275 -1.410 9.519 1.00 0.00 N ATOM 1222 CA TYR A 74 82.509 -0.832 8.379 1.00 0.00 C ATOM 1223 C TYR A 74 82.272 -1.940 7.358 1.00 0.00 C ATOM 1224 O TYR A 74 83.176 -2.372 6.675 1.00 0.00 O ATOM 1225 CB TYR A 74 83.331 0.287 7.738 1.00 0.00 C ATOM 1226 CG TYR A 74 82.527 0.966 6.652 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.623 1.984 6.980 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.691 0.580 5.317 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.884 2.614 5.971 1.00 0.00 C ATOM 1230 CE2 TYR A 74 81.952 1.209 4.308 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.048 2.227 4.635 1.00 0.00 C ATOM 1232 OH TYR A 74 80.318 2.848 3.642 1.00 0.00 O ATOM 0 H TYR A 74 84.092 -1.957 9.248 1.00 0.00 H new ATOM 0 HA TYR A 74 81.558 -0.426 8.722 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.621 1.015 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.251 -0.121 7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.496 2.283 8.010 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.389 -0.205 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.187 3.399 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.079 0.909 3.278 1.00 0.00 H new ATOM 0 HH TYR A 74 79.469 2.376 3.516 1.00 0.00 H new ATOM 1242 N SER A 75 81.061 -2.411 7.264 1.00 0.00 N ATOM 1243 CA SER A 75 80.735 -3.509 6.306 1.00 0.00 C ATOM 1244 C SER A 75 79.603 -3.082 5.381 1.00 0.00 C ATOM 1245 O SER A 75 78.810 -2.216 5.696 1.00 0.00 O ATOM 1246 CB SER A 75 80.308 -4.746 7.093 1.00 0.00 C ATOM 1247 OG SER A 75 79.271 -4.392 7.999 1.00 0.00 O ATOM 0 H SER A 75 80.271 -2.079 7.817 1.00 0.00 H new ATOM 0 HA SER A 75 81.616 -3.734 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.962 -5.523 6.412 1.00 0.00 H new ATOM 0 HB3 SER A 75 81.158 -5.156 7.638 1.00 0.00 H new ATOM 0 HG SER A 75 78.994 -5.184 8.504 1.00 0.00 H new ATOM 1253 N VAL A 76 79.532 -3.693 4.233 1.00 0.00 N ATOM 1254 CA VAL A 76 78.465 -3.350 3.253 1.00 0.00 C ATOM 1255 C VAL A 76 78.152 -4.587 2.417 1.00 0.00 C ATOM 1256 O VAL A 76 78.881 -5.559 2.437 1.00 0.00 O ATOM 1257 CB VAL A 76 78.962 -2.232 2.336 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.231 -0.973 3.161 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.258 -2.680 1.658 1.00 0.00 C ATOM 0 H VAL A 76 80.175 -4.424 3.928 1.00 0.00 H new ATOM 0 HA VAL A 76 77.569 -3.018 3.777 1.00 0.00 H new ATOM 0 HB VAL A 76 78.206 -2.015 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.585 -0.177 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.311 -0.656 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.989 -1.187 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.618 -1.887 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.011 -2.893 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 76 80.070 -3.579 1.071 1.00 0.00 H new ATOM 1269 N GLN A 77 77.079 -4.567 1.682 1.00 0.00 N ATOM 1270 CA GLN A 77 76.732 -5.748 0.852 1.00 0.00 C ATOM 1271 C GLN A 77 77.580 -5.739 -0.421 1.00 0.00 C ATOM 1272 O GLN A 77 77.826 -4.706 -1.010 1.00 0.00 O ATOM 1273 CB GLN A 77 75.245 -5.684 0.485 1.00 0.00 C ATOM 1274 CG GLN A 77 74.389 -6.180 1.655 1.00 0.00 C ATOM 1275 CD GLN A 77 72.954 -6.396 1.175 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.730 -6.756 0.036 1.00 0.00 O ATOM 1277 NE2 GLN A 77 71.965 -6.191 2.000 1.00 0.00 N ATOM 0 H GLN A 77 76.428 -3.784 1.620 1.00 0.00 H new ATOM 0 HA GLN A 77 76.930 -6.664 1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.969 -4.660 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 77 75.054 -6.293 -0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.797 -7.111 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.407 -5.454 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.153 -5.889 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.004 -6.333 1.689 1.00 0.00 H new ATOM 1286 N THR A 78 78.022 -6.892 -0.848 1.00 0.00 N ATOM 1287 CA THR A 78 78.854 -6.978 -2.079 1.00 0.00 C ATOM 1288 C THR A 78 78.623 -8.331 -2.740 1.00 0.00 C ATOM 1289 O THR A 78 78.783 -9.368 -2.127 1.00 0.00 O ATOM 1290 CB THR A 78 80.338 -6.862 -1.721 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.733 -8.007 -0.979 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.580 -5.606 -0.885 1.00 0.00 C ATOM 0 H THR A 78 77.839 -7.785 -0.391 1.00 0.00 H new ATOM 0 HA THR A 78 78.576 -6.167 -2.753 1.00 0.00 H new ATOM 0 HB THR A 78 80.923 -6.796 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.041 -8.697 -1.050 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.639 -5.533 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.280 -4.726 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.994 -5.661 0.033 1.00 0.00 H new ATOM 1300 N THR A 79 78.265 -8.332 -3.985 1.00 0.00 N ATOM 1301 CA THR A 79 78.044 -9.622 -4.686 1.00 0.00 C ATOM 1302 C THR A 79 79.373 -10.364 -4.761 1.00 0.00 C ATOM 1303 O THR A 79 79.425 -11.578 -4.775 1.00 0.00 O ATOM 1304 CB THR A 79 77.533 -9.353 -6.102 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.407 -8.489 -6.043 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.134 -10.671 -6.764 1.00 0.00 C ATOM 0 H THR A 79 78.115 -7.497 -4.551 1.00 0.00 H new ATOM 0 HA THR A 79 77.309 -10.219 -4.147 1.00 0.00 H new ATOM 0 HB THR A 79 78.322 -8.881 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 79 76.080 -8.315 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.770 -10.476 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.000 -11.331 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.346 -11.148 -6.180 1.00 0.00 H new ATOM 1314 N GLU A 80 80.453 -9.629 -4.809 1.00 0.00 N ATOM 1315 CA GLU A 80 81.804 -10.253 -4.884 1.00 0.00 C ATOM 1316 C GLU A 80 82.494 -10.123 -3.533 1.00 0.00 C ATOM 1317 O GLU A 80 82.687 -11.087 -2.819 1.00 0.00 O ATOM 1318 CB GLU A 80 82.633 -9.530 -5.947 1.00 0.00 C ATOM 1319 CG GLU A 80 81.871 -9.526 -7.275 1.00 0.00 C ATOM 1320 CD GLU A 80 81.836 -10.944 -7.847 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.899 -11.504 -8.053 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.746 -11.447 -8.064 1.00 0.00 O ATOM 0 H GLU A 80 80.454 -8.609 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 80 81.709 -11.307 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.838 -8.507 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.597 -10.024 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.856 -9.159 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.353 -8.849 -7.981 1.00 0.00 H new ATOM 1329 N GLY A 81 82.872 -8.933 -3.186 1.00 0.00 N ATOM 1330 CA GLY A 81 83.561 -8.712 -1.885 1.00 0.00 C ATOM 1331 C GLY A 81 84.976 -9.285 -1.959 1.00 0.00 C ATOM 1332 O GLY A 81 85.892 -8.790 -1.333 1.00 0.00 O ATOM 0 H GLY A 81 82.734 -8.094 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.599 -7.647 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 83.004 -9.191 -1.080 1.00 0.00 H new ATOM 1336 N GLU A 82 85.161 -10.327 -2.722 1.00 0.00 N ATOM 1337 CA GLU A 82 86.511 -10.937 -2.843 1.00 0.00 C ATOM 1338 C GLU A 82 87.404 -10.007 -3.663 1.00 0.00 C ATOM 1339 O GLU A 82 88.445 -9.568 -3.216 1.00 0.00 O ATOM 1340 CB GLU A 82 86.378 -12.295 -3.548 1.00 0.00 C ATOM 1341 CG GLU A 82 87.739 -12.759 -4.067 1.00 0.00 C ATOM 1342 CD GLU A 82 87.709 -14.265 -4.342 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.709 -14.733 -4.862 1.00 0.00 O ATOM 1344 OE2 GLU A 82 88.686 -14.925 -4.028 1.00 0.00 O ATOM 0 H GLU A 82 84.430 -10.783 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 82 86.953 -11.082 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.974 -13.034 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.673 -12.215 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.993 -12.219 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.514 -12.530 -3.335 1.00 0.00 H new ATOM 1351 N GLN A 83 86.996 -9.703 -4.859 1.00 0.00 N ATOM 1352 CA GLN A 83 87.808 -8.798 -5.720 1.00 0.00 C ATOM 1353 C GLN A 83 88.158 -7.556 -4.920 1.00 0.00 C ATOM 1354 O GLN A 83 89.297 -7.139 -4.854 1.00 0.00 O ATOM 1355 CB GLN A 83 87.006 -8.389 -6.958 1.00 0.00 C ATOM 1356 CG GLN A 83 86.375 -9.615 -7.606 1.00 0.00 C ATOM 1357 CD GLN A 83 85.482 -9.178 -8.763 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.824 -8.284 -9.513 1.00 0.00 O ATOM 1359 NE2 GLN A 83 84.342 -9.779 -8.936 1.00 0.00 N ATOM 0 H GLN A 83 86.132 -10.042 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 83 88.713 -9.314 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 83 86.230 -7.677 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.658 -7.886 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 83 87.152 -10.289 -7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.790 -10.168 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 83 84.059 -10.528 -8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.730 -9.501 -9.703 1.00 0.00 H new ATOM 1368 N ILE A 84 87.182 -6.978 -4.291 1.00 0.00 N ATOM 1369 CA ILE A 84 87.444 -5.773 -3.464 1.00 0.00 C ATOM 1370 C ILE A 84 88.559 -6.117 -2.480 1.00 0.00 C ATOM 1371 O ILE A 84 89.363 -5.286 -2.107 1.00 0.00 O ATOM 1372 CB ILE A 84 86.173 -5.399 -2.699 1.00 0.00 C ATOM 1373 CG1 ILE A 84 85.007 -5.270 -3.687 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.379 -4.068 -1.974 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.764 -4.753 -2.958 1.00 0.00 C ATOM 0 H ILE A 84 86.210 -7.288 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 84 87.738 -4.930 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 84 85.949 -6.175 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.276 -4.589 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.796 -6.237 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.471 -3.805 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.208 -4.160 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.604 -3.288 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.939 -4.663 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.490 -5.451 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.977 -3.776 -2.523 1.00 0.00 H new ATOM 1387 N ALA A 85 88.613 -7.356 -2.073 1.00 0.00 N ATOM 1388 CA ALA A 85 89.672 -7.797 -1.126 1.00 0.00 C ATOM 1389 C ALA A 85 90.935 -8.136 -1.915 1.00 0.00 C ATOM 1390 O ALA A 85 92.039 -7.990 -1.432 1.00 0.00 O ATOM 1391 CB ALA A 85 89.186 -9.036 -0.373 1.00 0.00 C ATOM 0 H ALA A 85 87.962 -8.087 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 85 89.891 -7.003 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.958 -9.365 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.278 -8.793 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.975 -9.835 -1.084 1.00 0.00 H new ATOM 1397 N GLN A 86 90.779 -8.582 -3.133 1.00 0.00 N ATOM 1398 CA GLN A 86 91.965 -8.926 -3.959 1.00 0.00 C ATOM 1399 C GLN A 86 92.594 -7.638 -4.472 1.00 0.00 C ATOM 1400 O GLN A 86 93.799 -7.493 -4.527 1.00 0.00 O ATOM 1401 CB GLN A 86 91.527 -9.794 -5.134 1.00 0.00 C ATOM 1402 CG GLN A 86 92.734 -10.547 -5.687 1.00 0.00 C ATOM 1403 CD GLN A 86 93.110 -11.686 -4.742 1.00 0.00 C ATOM 1404 OE1 GLN A 86 92.551 -11.813 -3.671 1.00 0.00 O ATOM 1405 NE2 GLN A 86 94.041 -12.525 -5.096 1.00 0.00 N ATOM 0 H GLN A 86 89.878 -8.722 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 86 92.693 -9.476 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.760 -10.499 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 86 91.084 -9.174 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.505 -10.943 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 86 93.577 -9.866 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.510 -12.417 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 86 94.302 -13.290 -4.474 1.00 0.00 H new ATOM 1414 N LEU A 87 91.777 -6.695 -4.833 1.00 0.00 N ATOM 1415 CA LEU A 87 92.305 -5.403 -5.327 1.00 0.00 C ATOM 1416 C LEU A 87 92.942 -4.684 -4.147 1.00 0.00 C ATOM 1417 O LEU A 87 93.976 -4.054 -4.259 1.00 0.00 O ATOM 1418 CB LEU A 87 91.149 -4.568 -5.886 1.00 0.00 C ATOM 1419 CG LEU A 87 91.643 -3.172 -6.280 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.814 -3.286 -7.271 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.489 -2.404 -6.934 1.00 0.00 C ATOM 0 H LEU A 87 90.760 -6.766 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 87 93.040 -5.557 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.718 -5.067 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.358 -4.484 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 87 91.986 -2.643 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 87 93.158 -2.288 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.632 -3.837 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.484 -3.814 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.830 -1.408 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 87 90.152 -2.940 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.663 -2.317 -6.228 1.00 0.00 H new ATOM 1433 N ILE A 88 92.324 -4.796 -3.010 1.00 0.00 N ATOM 1434 CA ILE A 88 92.865 -4.150 -1.789 1.00 0.00 C ATOM 1435 C ILE A 88 94.055 -4.972 -1.291 1.00 0.00 C ATOM 1436 O ILE A 88 95.126 -4.454 -1.051 1.00 0.00 O ATOM 1437 CB ILE A 88 91.761 -4.113 -0.720 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.761 -3.005 -1.068 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.370 -3.837 0.663 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.544 -3.088 -0.142 1.00 0.00 C ATOM 0 H ILE A 88 91.456 -5.314 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 88 93.192 -3.132 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 88 91.254 -5.077 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.237 -2.030 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.445 -3.102 -2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.578 -3.813 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.080 -4.625 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.885 -2.876 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.839 -2.297 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 88 89.061 -4.058 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.865 -2.969 0.893 1.00 0.00 H new ATOM 1452 N ALA A 89 93.871 -6.254 -1.144 1.00 0.00 N ATOM 1453 CA ALA A 89 94.988 -7.117 -0.672 1.00 0.00 C ATOM 1454 C ALA A 89 96.141 -7.016 -1.668 1.00 0.00 C ATOM 1455 O ALA A 89 97.265 -7.373 -1.376 1.00 0.00 O ATOM 1456 CB ALA A 89 94.517 -8.570 -0.588 1.00 0.00 C ATOM 0 H ALA A 89 92.995 -6.741 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 89 95.315 -6.789 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.337 -9.199 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.684 -8.643 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.193 -8.905 -1.573 1.00 0.00 H new ATOM 1462 N GLY A 90 95.861 -6.542 -2.852 1.00 0.00 N ATOM 1463 CA GLY A 90 96.927 -6.426 -3.887 1.00 0.00 C ATOM 1464 C GLY A 90 97.703 -5.119 -3.713 1.00 0.00 C ATOM 1465 O GLY A 90 98.869 -5.043 -4.035 1.00 0.00 O ATOM 0 H GLY A 90 94.936 -6.229 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.609 -7.273 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.482 -6.462 -4.881 1.00 0.00 H new ATOM 1469 N TYR A 91 97.078 -4.084 -3.216 1.00 0.00 N ATOM 1470 CA TYR A 91 97.813 -2.795 -3.044 1.00 0.00 C ATOM 1471 C TYR A 91 98.636 -2.848 -1.757 1.00 0.00 C ATOM 1472 O TYR A 91 99.678 -2.234 -1.647 1.00 0.00 O ATOM 1473 CB TYR A 91 96.813 -1.632 -2.948 1.00 0.00 C ATOM 1474 CG TYR A 91 96.316 -1.234 -4.326 1.00 0.00 C ATOM 1475 CD1 TYR A 91 97.219 -0.799 -5.311 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.945 -1.281 -4.612 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.748 -0.420 -6.574 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.478 -0.900 -5.873 1.00 0.00 C ATOM 1479 CZ TYR A 91 95.378 -0.471 -6.855 1.00 0.00 C ATOM 1480 OH TYR A 91 94.915 -0.094 -8.099 1.00 0.00 O ATOM 0 H TYR A 91 96.101 -4.074 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 91 98.469 -2.642 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.969 -1.923 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 91 97.288 -0.777 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 91 98.276 -0.757 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 91 94.248 -1.612 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.442 -0.088 -7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 91 93.421 -0.937 -6.090 1.00 0.00 H new ATOM 0 HH TYR A 91 93.940 -0.190 -8.128 1.00 0.00 H new ATOM 1490 N ILE A 92 98.167 -3.563 -0.779 1.00 0.00 N ATOM 1491 CA ILE A 92 98.905 -3.644 0.509 1.00 0.00 C ATOM 1492 C ILE A 92 100.218 -4.405 0.320 1.00 0.00 C ATOM 1493 O ILE A 92 101.177 -4.196 1.036 1.00 0.00 O ATOM 1494 CB ILE A 92 98.037 -4.368 1.532 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.722 -3.598 1.700 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.780 -4.434 2.867 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.757 -4.401 2.575 1.00 0.00 C ATOM 0 H ILE A 92 97.300 -4.098 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 92 99.132 -2.637 0.859 1.00 0.00 H new ATOM 0 HB ILE A 92 97.823 -5.382 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.915 -2.626 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.273 -3.411 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.163 -4.951 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.717 -4.975 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.990 -3.423 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.825 -3.848 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.553 -5.362 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.205 -4.565 3.555 1.00 0.00 H new ATOM 1509 N ASP A 93 100.267 -5.292 -0.632 1.00 0.00 N ATOM 1510 CA ASP A 93 101.512 -6.076 -0.866 1.00 0.00 C ATOM 1511 C ASP A 93 102.468 -5.283 -1.759 1.00 0.00 C ATOM 1512 O ASP A 93 103.653 -5.540 -1.797 1.00 0.00 O ATOM 1513 CB ASP A 93 101.149 -7.396 -1.551 1.00 0.00 C ATOM 1514 CG ASP A 93 100.531 -8.351 -0.528 1.00 0.00 C ATOM 1515 OD1 ASP A 93 99.618 -7.936 0.167 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.982 -9.482 -0.456 1.00 0.00 O ATOM 0 H ASP A 93 99.495 -5.510 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 93 102.001 -6.275 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.447 -7.214 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.039 -7.845 -1.992 1.00 0.00 H new ATOM 1521 N ILE A 94 101.960 -4.332 -2.490 1.00 0.00 N ATOM 1522 CA ILE A 94 102.835 -3.534 -3.397 1.00 0.00 C ATOM 1523 C ILE A 94 103.453 -2.361 -2.639 1.00 0.00 C ATOM 1524 O ILE A 94 104.486 -1.850 -3.012 1.00 0.00 O ATOM 1525 CB ILE A 94 102.000 -3.008 -4.562 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.486 -4.193 -5.384 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.868 -2.112 -5.448 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.384 -3.722 -6.335 1.00 0.00 C ATOM 0 H ILE A 94 100.974 -4.071 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 94 103.637 -4.170 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 94 101.158 -2.431 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 94 102.304 -4.636 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 94 101.101 -4.968 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 94 102.272 -1.736 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 94 103.242 -1.273 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.709 -2.688 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 94 100.021 -4.568 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.562 -3.299 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.784 -2.963 -7.007 1.00 0.00 H new ATOM 1540 N ILE A 95 102.836 -1.930 -1.578 1.00 0.00 N ATOM 1541 CA ILE A 95 103.408 -0.789 -0.803 1.00 0.00 C ATOM 1542 C ILE A 95 104.454 -1.325 0.167 1.00 0.00 C ATOM 1543 O ILE A 95 105.445 -0.686 0.458 1.00 0.00 O ATOM 1544 CB ILE A 95 102.303 -0.090 -0.011 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.540 -1.119 0.830 1.00 0.00 C ATOM 1546 CG2 ILE A 95 101.341 0.600 -0.976 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.339 -0.446 1.505 1.00 0.00 C ATOM 0 H ILE A 95 101.965 -2.313 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 95 103.862 -0.076 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 95 102.748 0.654 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.201 -1.940 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.200 -1.548 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.553 1.098 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.885 1.337 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.897 -0.142 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.799 -1.180 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.689 0.360 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.675 -0.038 0.743 1.00 0.00 H new ATOM 1559 N LEU A 96 104.222 -2.498 0.676 1.00 0.00 N ATOM 1560 CA LEU A 96 105.173 -3.108 1.646 1.00 0.00 C ATOM 1561 C LEU A 96 106.305 -3.816 0.890 1.00 0.00 C ATOM 1562 O LEU A 96 107.376 -4.034 1.419 1.00 0.00 O ATOM 1563 CB LEU A 96 104.395 -4.122 2.500 1.00 0.00 C ATOM 1564 CG LEU A 96 103.758 -3.417 3.719 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.518 -4.192 4.176 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.772 -3.353 4.872 1.00 0.00 C ATOM 0 H LEU A 96 103.405 -3.069 0.460 1.00 0.00 H new ATOM 0 HA LEU A 96 105.613 -2.339 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.619 -4.595 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.064 -4.913 2.837 1.00 0.00 H new ATOM 0 HG LEU A 96 103.469 -2.405 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.072 -3.691 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.793 -4.231 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.805 -5.206 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.318 -2.855 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.067 -4.364 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.652 -2.795 4.552 1.00 0.00 H new ATOM 1578 N LYS A 97 106.070 -4.182 -0.337 1.00 0.00 N ATOM 1579 CA LYS A 97 107.127 -4.884 -1.122 1.00 0.00 C ATOM 1580 C LYS A 97 108.257 -3.912 -1.465 1.00 0.00 C ATOM 1581 O LYS A 97 109.418 -4.269 -1.455 1.00 0.00 O ATOM 1582 CB LYS A 97 106.518 -5.447 -2.412 1.00 0.00 C ATOM 1583 CG LYS A 97 107.628 -5.975 -3.359 1.00 0.00 C ATOM 1584 CD LYS A 97 107.908 -4.967 -4.480 1.00 0.00 C ATOM 1585 CE LYS A 97 108.925 -5.560 -5.457 1.00 0.00 C ATOM 1586 NZ LYS A 97 110.070 -6.135 -4.695 1.00 0.00 N ATOM 0 H LYS A 97 105.192 -4.027 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 97 107.533 -5.701 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 97 105.825 -6.253 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 97 105.942 -4.671 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 97 108.540 -6.158 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 97 107.323 -6.929 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 97 106.984 -4.724 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 97 108.291 -4.037 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 97 108.454 -6.333 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 97 109.280 -4.789 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.889 -6.242 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.319 -5.499 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 109.802 -7.065 -4.315 1.00 0.00 H new ATOM 1600 N LYS A 98 107.932 -2.687 -1.774 1.00 0.00 N ATOM 1601 CA LYS A 98 108.992 -1.702 -2.121 1.00 0.00 C ATOM 1602 C LYS A 98 109.862 -1.440 -0.893 1.00 0.00 C ATOM 1603 O LYS A 98 111.070 -1.345 -0.984 1.00 0.00 O ATOM 1604 CB LYS A 98 108.343 -0.391 -2.576 1.00 0.00 C ATOM 1605 CG LYS A 98 107.345 -0.659 -3.712 1.00 0.00 C ATOM 1606 CD LYS A 98 108.089 -0.936 -5.022 1.00 0.00 C ATOM 1607 CE LYS A 98 107.093 -0.932 -6.184 1.00 0.00 C ATOM 1608 NZ LYS A 98 106.559 0.445 -6.380 1.00 0.00 N ATOM 0 H LYS A 98 106.978 -2.327 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 98 109.609 -2.100 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 98 107.832 0.080 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 98 109.111 0.305 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 98 106.715 -1.511 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 98 106.686 0.200 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 98 108.856 -0.179 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 98 108.597 -1.899 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 98 107.581 -1.277 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 98 106.276 -1.624 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 106.243 0.558 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 105.756 0.600 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 107.306 1.139 -6.175 1.00 0.00 H new ATOM 1622 N LYS A 99 109.258 -1.321 0.256 1.00 0.00 N ATOM 1623 CA LYS A 99 110.048 -1.065 1.488 1.00 0.00 C ATOM 1624 C LYS A 99 110.988 -2.244 1.747 1.00 0.00 C ATOM 1625 O LYS A 99 112.155 -2.067 2.034 1.00 0.00 O ATOM 1626 CB LYS A 99 109.103 -0.898 2.675 1.00 0.00 C ATOM 1627 CG LYS A 99 108.078 0.194 2.362 1.00 0.00 C ATOM 1628 CD LYS A 99 107.178 0.413 3.580 1.00 0.00 C ATOM 1629 CE LYS A 99 106.108 1.453 3.243 1.00 0.00 C ATOM 1630 NZ LYS A 99 106.748 2.790 3.085 1.00 0.00 N ATOM 0 H LYS A 99 108.250 -1.390 0.393 1.00 0.00 H new ATOM 0 HA LYS A 99 110.634 -0.155 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 99 108.595 -1.839 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 99 109.668 -0.635 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 99 108.587 1.122 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 99 107.477 -0.093 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 99 106.708 -0.526 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.773 0.749 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 99 105.591 1.174 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 99 105.358 1.488 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 106.017 3.530 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 107.424 2.945 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 107.250 2.829 2.175 1.00 0.00 H new ATOM 1644 N LYS A 100 110.484 -3.449 1.646 1.00 0.00 N ATOM 1645 CA LYS A 100 111.338 -4.655 1.884 1.00 0.00 C ATOM 1646 C LYS A 100 111.710 -5.288 0.542 1.00 0.00 C ATOM 1647 O LYS A 100 112.213 -4.572 -0.309 1.00 0.00 O ATOM 1648 CB LYS A 100 110.557 -5.668 2.723 1.00 0.00 C ATOM 1649 CG LYS A 100 110.435 -5.147 4.161 1.00 0.00 C ATOM 1650 CD LYS A 100 109.443 -6.007 4.959 1.00 0.00 C ATOM 1651 CE LYS A 100 110.119 -7.305 5.417 1.00 0.00 C ATOM 1652 NZ LYS A 100 111.299 -6.979 6.267 1.00 0.00 N ATOM 1653 OXT LYS A 100 111.484 -6.477 0.387 1.00 0.00 O ATOM 0 H LYS A 100 109.513 -3.651 1.408 1.00 0.00 H new ATOM 0 HA LYS A 100 112.245 -4.362 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 100 109.567 -5.825 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 100 111.065 -6.633 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.412 -5.163 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.101 -4.109 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 100 109.082 -5.451 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 100 108.574 -6.238 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 100 109.412 -7.917 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 100 110.431 -7.890 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.310 -7.602 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.171 -7.119 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.241 -5.988 6.577 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 87.975 -17.819 9.936 1.00 0.00 N ATOM 1669 CA SER B 1 86.781 -16.973 9.660 1.00 0.00 C ATOM 1670 C SER B 1 87.213 -15.511 9.528 1.00 0.00 C ATOM 1671 O SER B 1 86.436 -14.602 9.741 1.00 0.00 O ATOM 1672 CB SER B 1 85.785 -17.110 10.813 1.00 0.00 C ATOM 1673 OG SER B 1 84.649 -16.296 10.554 1.00 0.00 O ATOM 0 H1 SER B 1 87.668 -18.769 10.226 1.00 0.00 H new ATOM 0 H2 SER B 1 88.556 -17.890 9.077 1.00 0.00 H new ATOM 0 H3 SER B 1 88.536 -17.389 10.699 1.00 0.00 H new ATOM 0 HA SER B 1 86.310 -17.297 8.732 1.00 0.00 H new ATOM 0 HB2 SER B 1 85.482 -18.151 10.925 1.00 0.00 H new ATOM 0 HB3 SER B 1 86.254 -16.812 11.751 1.00 0.00 H new ATOM 0 HG SER B 1 84.938 -15.449 10.154 1.00 0.00 H new ATOM 1681 N TRP B 2 88.450 -15.278 9.180 1.00 0.00 N ATOM 1682 CA TRP B 2 88.933 -13.875 9.036 1.00 0.00 C ATOM 1683 C TRP B 2 90.230 -13.865 8.218 1.00 0.00 C ATOM 1684 O TRP B 2 90.736 -14.892 7.812 1.00 0.00 O ATOM 1685 CB TRP B 2 89.200 -13.279 10.435 1.00 0.00 C ATOM 1686 CG TRP B 2 87.957 -12.656 10.987 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.168 -13.204 11.936 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.360 -11.372 10.648 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.122 -12.338 12.202 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.198 -11.194 11.432 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.713 -10.355 9.743 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.413 -10.045 11.326 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.926 -9.198 9.633 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.780 -9.044 10.422 1.00 0.00 C ATOM 0 H TRP B 2 89.146 -15.998 8.989 1.00 0.00 H new ATOM 0 HA TRP B 2 88.177 -13.278 8.525 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.552 -14.061 11.108 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.991 -12.532 10.373 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.327 -14.161 12.410 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.385 -12.522 12.883 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.595 -10.465 9.129 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.530 -9.930 11.937 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.206 -8.422 8.936 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.179 -8.151 10.332 1.00 0.00 H new ATOM 1705 N VAL B 3 90.768 -12.700 7.989 1.00 0.00 N ATOM 1706 CA VAL B 3 92.031 -12.576 7.217 1.00 0.00 C ATOM 1707 C VAL B 3 92.718 -11.279 7.651 1.00 0.00 C ATOM 1708 O VAL B 3 92.071 -10.272 7.865 1.00 0.00 O ATOM 1709 CB VAL B 3 91.722 -12.551 5.715 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.539 -11.627 5.457 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.945 -12.051 4.935 1.00 0.00 C ATOM 0 H VAL B 3 90.377 -11.814 8.311 1.00 0.00 H new ATOM 0 HA VAL B 3 92.687 -13.425 7.409 1.00 0.00 H new ATOM 0 HB VAL B 3 91.478 -13.560 5.383 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.318 -11.608 4.390 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.668 -11.991 6.002 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.783 -10.620 5.795 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.716 -12.037 3.869 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.200 -11.044 5.265 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.789 -12.717 5.116 1.00 0.00 H new HETATM 1721 N PTR B 4 94.018 -11.304 7.807 1.00 0.00 N HETATM 1722 CA PTR B 4 94.759 -10.080 8.259 1.00 0.00 C HETATM 1723 C PTR B 4 95.787 -9.674 7.202 1.00 0.00 C HETATM 1724 O PTR B 4 96.209 -10.471 6.387 1.00 0.00 O HETATM 1725 CB PTR B 4 95.479 -10.390 9.576 1.00 0.00 C HETATM 1726 CG PTR B 4 94.473 -10.437 10.710 1.00 0.00 C HETATM 1727 CD1 PTR B 4 93.502 -11.448 10.746 1.00 0.00 C HETATM 1728 CD2 PTR B 4 94.513 -9.472 11.727 1.00 0.00 C HETATM 1729 CE1 PTR B 4 92.576 -11.494 11.794 1.00 0.00 C HETATM 1730 CE2 PTR B 4 93.585 -9.520 12.775 1.00 0.00 C HETATM 1731 CZ PTR B 4 92.617 -10.530 12.809 1.00 0.00 C HETATM 1732 OH PTR B 4 91.638 -10.581 13.917 1.00 0.00 O HETATM 1733 P PTR B 4 92.209 -11.371 15.031 1.00 0.00 P HETATM 1734 O1P PTR B 4 92.522 -12.738 14.557 1.00 0.00 O HETATM 1735 O2P PTR B 4 91.229 -11.446 16.137 1.00 0.00 O HETATM 1736 O3P PTR B 4 93.448 -10.721 15.513 1.00 0.00 O HETATM 0 HE2 PTR B 4 93.617 -8.770 13.565 1.00 0.00 H new HETATM 0 HE1 PTR B 4 91.822 -12.281 11.820 1.00 0.00 H new HETATM 0 HD2 PTR B 4 95.266 -8.685 11.702 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.469 -12.199 9.957 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.001 -11.344 9.500 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.233 -9.629 9.777 1.00 0.00 H new HETATM 0 HA PTR B 4 94.054 -9.261 8.404 1.00 0.00 H new ATOM 1745 N SER B 5 96.193 -8.430 7.215 1.00 0.00 N ATOM 1746 CA SER B 5 97.196 -7.943 6.219 1.00 0.00 C ATOM 1747 C SER B 5 98.590 -7.945 6.878 1.00 0.00 C ATOM 1748 O SER B 5 98.681 -7.925 8.089 1.00 0.00 O ATOM 1749 CB SER B 5 96.814 -6.510 5.805 1.00 0.00 C ATOM 1750 OG SER B 5 97.700 -5.578 6.417 1.00 0.00 O ATOM 0 H SER B 5 95.870 -7.725 7.878 1.00 0.00 H new ATOM 0 HA SER B 5 97.212 -8.587 5.340 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.860 -6.411 4.720 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.787 -6.298 6.102 1.00 0.00 H new ATOM 0 HG SER B 5 97.603 -5.626 7.391 1.00 0.00 H new ATOM 1756 N PRO B 6 99.643 -7.957 6.083 1.00 0.00 N ATOM 1757 CA PRO B 6 101.012 -7.946 6.632 1.00 0.00 C ATOM 1758 C PRO B 6 101.243 -6.649 7.425 1.00 0.00 C ATOM 1759 O PRO B 6 102.077 -6.593 8.306 1.00 0.00 O ATOM 1760 CB PRO B 6 101.940 -8.024 5.397 1.00 0.00 C ATOM 1761 CG PRO B 6 101.039 -7.906 4.134 1.00 0.00 C ATOM 1762 CD PRO B 6 99.570 -7.986 4.604 1.00 0.00 C ATOM 0 HA PRO B 6 101.199 -8.771 7.320 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.678 -7.222 5.419 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.491 -8.964 5.389 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.225 -6.965 3.616 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.260 -8.707 3.429 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.986 -7.149 4.220 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.091 -8.898 4.250 1.00 0.00 H new ATOM 1770 N LEU B 7 100.513 -5.606 7.116 1.00 0.00 N ATOM 1771 CA LEU B 7 100.700 -4.322 7.850 1.00 0.00 C ATOM 1772 C LEU B 7 100.736 -4.599 9.356 1.00 0.00 C ATOM 1773 O LEU B 7 99.712 -4.694 10.004 1.00 0.00 O ATOM 1774 CB LEU B 7 99.538 -3.365 7.539 1.00 0.00 C ATOM 1775 CG LEU B 7 99.564 -2.938 6.054 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.152 -2.536 5.608 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.505 -1.737 5.860 1.00 0.00 C ATOM 0 H LEU B 7 99.798 -5.590 6.389 1.00 0.00 H new ATOM 0 HA LEU B 7 101.637 -3.864 7.535 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.589 -3.851 7.766 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.605 -2.484 8.177 1.00 0.00 H new ATOM 0 HG LEU B 7 99.920 -3.778 5.458 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.173 -2.235 4.561 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.477 -3.383 5.729 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.801 -1.703 6.218 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.513 -1.447 4.809 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.156 -0.900 6.465 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.514 -2.012 6.169 1.00 0.00 H new ATOM 1789 N HIS B 8 101.907 -4.732 9.917 1.00 0.00 N ATOM 1790 CA HIS B 8 102.008 -5.005 11.377 1.00 0.00 C ATOM 1791 C HIS B 8 101.585 -3.761 12.160 1.00 0.00 C ATOM 1792 O HIS B 8 102.024 -2.681 11.802 1.00 0.00 O ATOM 1793 CB HIS B 8 103.454 -5.360 11.725 1.00 0.00 C ATOM 1794 CG HIS B 8 103.946 -6.428 10.787 1.00 0.00 C ATOM 1795 ND1 HIS B 8 103.656 -7.771 10.976 1.00 0.00 N ATOM 1796 CD2 HIS B 8 104.709 -6.367 9.647 1.00 0.00 C ATOM 1797 CE1 HIS B 8 104.237 -8.456 9.974 1.00 0.00 C ATOM 1798 NE2 HIS B 8 104.891 -7.648 9.136 1.00 0.00 N ATOM 1799 OXT HIS B 8 100.828 -3.910 13.106 1.00 0.00 O ATOM 0 H HIS B 8 102.798 -4.663 9.426 1.00 0.00 H new ATOM 0 HA HIS B 8 101.354 -5.837 11.639 1.00 0.00 H new ATOM 0 HB2 HIS B 8 104.086 -4.475 11.649 1.00 0.00 H new ATOM 0 HB3 HIS B 8 103.516 -5.709 12.756 1.00 0.00 H new ATOM 0 HD2 HIS B 8 105.107 -5.462 9.213 1.00 0.00 H new ATOM 0 HE1 HIS B 8 104.181 -9.529 9.861 1.00 0.00 H new ATOM 0 HE2 HIS B 8 105.412 -7.913 8.300 1.00 0.00 H new TER 1807 HIS B 8