USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 MET CE :methyl -144:sc= -8.81! (180deg=-8.04!) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.518 K(o=-9.3,f=-8.4) USER MOD Set 2.1: A 122 LYS NZ :NH3+ -124:sc= -0.162 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl -172:sc= -3.94 (180deg=-3.35) USER MOD Set 3.1: A 107 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.13) USER MOD Set 3.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 85 SER OG : rot -80:sc= -2.38! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 78:sc= 0.00149 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 51:sc= 0.0278 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 116 CYS SG : rot 146:sc= -1.21 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -4.91! C(o=-4.9!,f=-8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 160:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -4.25 K(o=-4.3,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 12.449 8.236 -4.080 1.00 0.00 N ATOM 47 CA GLY A 80 11.323 7.394 -3.721 1.00 0.00 C ATOM 48 C GLY A 80 10.069 7.740 -4.498 1.00 0.00 C ATOM 49 O GLY A 80 10.144 8.208 -5.634 1.00 0.00 O ATOM 0 HA2 GLY A 80 11.582 6.351 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.125 7.494 -2.654 1.00 0.00 H new ATOM 53 N HIS A 81 8.912 7.509 -3.886 1.00 0.00 N ATOM 54 CA HIS A 81 7.635 7.801 -4.529 1.00 0.00 C ATOM 55 C HIS A 81 6.481 7.636 -3.547 1.00 0.00 C ATOM 56 O HIS A 81 6.636 7.028 -2.488 1.00 0.00 O ATOM 57 CB HIS A 81 7.427 6.889 -5.739 1.00 0.00 C ATOM 58 CG HIS A 81 7.440 5.431 -5.403 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.415 4.571 -5.738 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.362 4.678 -4.757 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.705 3.354 -5.312 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.881 3.392 -4.716 1.00 0.00 N ATOM 0 H HIS A 81 8.832 7.121 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 81 7.656 8.838 -4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.475 7.136 -6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.207 7.091 -6.473 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.301 5.024 -4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.085 2.478 -5.432 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.357 2.595 -4.293 1.00 0.00 H new ATOM 71 N ILE A 82 5.324 8.181 -3.905 1.00 0.00 N ATOM 72 CA ILE A 82 4.143 8.094 -3.054 1.00 0.00 C ATOM 73 C ILE A 82 3.028 7.312 -3.737 1.00 0.00 C ATOM 74 O ILE A 82 2.532 7.709 -4.792 1.00 0.00 O ATOM 75 CB ILE A 82 3.617 9.493 -2.680 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.775 10.399 -2.250 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.560 9.387 -1.587 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.936 10.514 -0.754 1.00 0.00 C ATOM 0 H ILE A 82 5.178 8.688 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 82 4.446 7.571 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 82 3.148 9.941 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.702 10.016 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.619 11.394 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.198 10.383 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.729 8.778 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.997 8.924 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.775 11.171 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.025 10.927 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.124 9.527 -0.331 1.00 0.00 H new ATOM 90 N VAL A 83 2.634 6.197 -3.128 1.00 0.00 N ATOM 91 CA VAL A 83 1.576 5.359 -3.678 1.00 0.00 C ATOM 92 C VAL A 83 0.210 5.788 -3.154 1.00 0.00 C ATOM 93 O VAL A 83 -0.226 5.347 -2.091 1.00 0.00 O ATOM 94 CB VAL A 83 1.800 3.873 -3.337 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.899 2.989 -4.186 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.261 3.497 -3.528 1.00 0.00 C ATOM 0 H VAL A 83 3.032 5.854 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 83 1.604 5.483 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 83 1.542 3.716 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.071 1.943 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.144 3.242 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.123 3.147 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.401 2.444 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.548 3.669 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.882 4.108 -2.873 1.00 0.00 H new ATOM 106 N ARG A 84 -0.463 6.653 -3.908 1.00 0.00 N ATOM 107 CA ARG A 84 -1.780 7.143 -3.520 1.00 0.00 C ATOM 108 C ARG A 84 -2.879 6.225 -4.043 1.00 0.00 C ATOM 109 O ARG A 84 -2.759 5.650 -5.126 1.00 0.00 O ATOM 110 CB ARG A 84 -1.994 8.564 -4.046 1.00 0.00 C ATOM 111 CG ARG A 84 -1.905 8.674 -5.559 1.00 0.00 C ATOM 112 CD ARG A 84 -1.150 9.923 -5.984 1.00 0.00 C ATOM 113 NE ARG A 84 -0.985 9.998 -7.432 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.020 10.691 -8.028 1.00 0.00 C ATOM 115 NH1 ARG A 84 0.862 11.363 -7.300 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.064 10.712 -9.351 1.00 0.00 N ATOM 0 H ARG A 84 -0.117 7.028 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.829 7.154 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.972 8.919 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.251 9.224 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.406 7.792 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.909 8.693 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.685 10.806 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.170 9.934 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.647 9.491 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.800 11.348 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.602 11.895 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.613 10.196 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.805 11.244 -9.807 1.00 0.00 H new ATOM 130 N SER A 85 -3.950 6.091 -3.269 1.00 0.00 N ATOM 131 CA SER A 85 -5.072 5.241 -3.654 1.00 0.00 C ATOM 132 C SER A 85 -5.915 5.910 -4.736 1.00 0.00 C ATOM 133 O SER A 85 -6.606 6.897 -4.479 1.00 0.00 O ATOM 134 CB SER A 85 -5.942 4.926 -2.436 1.00 0.00 C ATOM 135 OG SER A 85 -6.423 3.594 -2.483 1.00 0.00 O ATOM 0 H SER A 85 -4.066 6.560 -2.371 1.00 0.00 H new ATOM 0 HA SER A 85 -4.670 4.311 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.364 5.075 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.783 5.618 -2.397 1.00 0.00 H new ATOM 0 HG SER A 85 -7.195 3.546 -3.085 1.00 0.00 H new ATOM 141 N PRO A 86 -5.865 5.376 -5.966 1.00 0.00 N ATOM 142 CA PRO A 86 -6.623 5.920 -7.098 1.00 0.00 C ATOM 143 C PRO A 86 -8.129 5.735 -6.932 1.00 0.00 C ATOM 144 O PRO A 86 -8.897 6.690 -7.048 1.00 0.00 O ATOM 145 CB PRO A 86 -6.114 5.108 -8.293 1.00 0.00 C ATOM 146 CG PRO A 86 -5.601 3.840 -7.703 1.00 0.00 C ATOM 147 CD PRO A 86 -5.063 4.202 -6.347 1.00 0.00 C ATOM 0 HA PRO A 86 -6.478 6.995 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.913 4.916 -9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.328 5.642 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.395 3.098 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.821 3.406 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.183 3.385 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.999 4.437 -6.386 1.00 0.00 H new ATOM 155 N MET A 87 -8.544 4.502 -6.663 1.00 0.00 N ATOM 156 CA MET A 87 -9.957 4.193 -6.483 1.00 0.00 C ATOM 157 C MET A 87 -10.266 3.868 -5.024 1.00 0.00 C ATOM 158 O MET A 87 -9.532 3.123 -4.375 1.00 0.00 O ATOM 159 CB MET A 87 -10.361 3.017 -7.376 1.00 0.00 C ATOM 160 CG MET A 87 -9.456 2.833 -8.584 1.00 0.00 C ATOM 161 SD MET A 87 -9.513 4.236 -9.716 1.00 0.00 S ATOM 162 CE MET A 87 -10.446 3.537 -11.075 1.00 0.00 C ATOM 0 H MET A 87 -7.921 3.700 -6.565 1.00 0.00 H new ATOM 0 HA MET A 87 -10.533 5.073 -6.768 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.353 2.102 -6.784 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.385 3.166 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.430 2.686 -8.246 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.748 1.929 -9.118 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.566 4.286 -11.858 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.914 2.675 -11.476 1.00 0.00 H new ATOM 0 HE3 MET A 87 -11.428 3.224 -10.719 1.00 0.00 H new ATOM 172 N VAL A 88 -11.358 4.431 -4.517 1.00 0.00 N ATOM 173 CA VAL A 88 -11.766 4.201 -3.134 1.00 0.00 C ATOM 174 C VAL A 88 -11.743 2.715 -2.795 1.00 0.00 C ATOM 175 O VAL A 88 -11.829 1.864 -3.680 1.00 0.00 O ATOM 176 CB VAL A 88 -13.179 4.757 -2.866 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.703 4.267 -1.524 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.174 6.277 -2.921 1.00 0.00 C ATOM 0 H VAL A 88 -11.976 5.049 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.051 4.726 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.846 4.390 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.701 4.671 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.747 3.178 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.036 4.601 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.180 6.651 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.492 6.666 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.847 6.604 -3.908 1.00 0.00 H new ATOM 188 N GLY A 89 -11.625 2.409 -1.506 1.00 0.00 N ATOM 189 CA GLY A 89 -11.593 1.024 -1.073 1.00 0.00 C ATOM 190 C GLY A 89 -11.340 0.887 0.416 1.00 0.00 C ATOM 191 O GLY A 89 -11.833 1.686 1.213 1.00 0.00 O ATOM 0 H GLY A 89 -11.551 3.095 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.541 0.547 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.814 0.493 -1.621 1.00 0.00 H new ATOM 195 N THR A 90 -10.572 -0.131 0.792 1.00 0.00 N ATOM 196 CA THR A 90 -10.254 -0.371 2.196 1.00 0.00 C ATOM 197 C THR A 90 -8.810 -0.836 2.357 1.00 0.00 C ATOM 198 O THR A 90 -8.487 -1.994 2.092 1.00 0.00 O ATOM 199 CB THR A 90 -11.205 -1.417 2.782 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.511 -1.254 2.263 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.299 -1.360 4.292 1.00 0.00 C ATOM 0 H THR A 90 -10.159 -0.802 0.145 1.00 0.00 H new ATOM 0 HA THR A 90 -10.376 0.568 2.736 1.00 0.00 H new ATOM 0 HB THR A 90 -10.785 -2.382 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.552 -1.625 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.989 -2.127 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.314 -1.533 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.662 -0.379 4.597 1.00 0.00 H new ATOM 209 N PHE A 91 -7.945 0.076 2.792 1.00 0.00 N ATOM 210 CA PHE A 91 -6.534 -0.243 2.988 1.00 0.00 C ATOM 211 C PHE A 91 -6.360 -1.291 4.083 1.00 0.00 C ATOM 212 O PHE A 91 -7.300 -1.600 4.814 1.00 0.00 O ATOM 213 CB PHE A 91 -5.750 1.021 3.344 1.00 0.00 C ATOM 214 CG PHE A 91 -4.267 0.880 3.147 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.737 0.693 1.875 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.401 0.933 4.232 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.369 0.561 1.691 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.034 0.802 4.054 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.517 0.616 2.782 1.00 0.00 C ATOM 0 H PHE A 91 -8.195 1.039 3.015 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.146 -0.652 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.113 1.848 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.948 1.281 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.398 0.650 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.798 1.078 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.968 0.416 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.371 0.845 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.451 0.514 2.641 1.00 0.00 H new ATOM 229 N TYR A 92 -5.150 -1.834 4.189 1.00 0.00 N ATOM 230 CA TYR A 92 -4.853 -2.847 5.195 1.00 0.00 C ATOM 231 C TYR A 92 -3.365 -3.177 5.213 1.00 0.00 C ATOM 232 O TYR A 92 -2.631 -2.829 4.287 1.00 0.00 O ATOM 233 CB TYR A 92 -5.663 -4.113 4.927 1.00 0.00 C ATOM 234 CG TYR A 92 -7.065 -4.070 5.490 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.282 -3.953 6.862 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.175 -4.148 4.650 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.567 -3.914 7.381 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.463 -4.108 5.162 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.653 -3.992 6.527 1.00 0.00 C ATOM 240 OH TYR A 92 -10.930 -3.953 7.038 1.00 0.00 O ATOM 0 H TYR A 92 -4.361 -1.589 3.591 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.129 -2.446 6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.718 -4.277 3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.136 -4.967 5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.436 -3.892 7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.029 -4.241 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.720 -3.823 8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.313 -4.167 4.499 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.578 -4.018 6.305 1.00 0.00 H new ATOM 250 N ARG A 93 -2.924 -3.850 6.270 1.00 0.00 N ATOM 251 CA ARG A 93 -1.520 -4.225 6.405 1.00 0.00 C ATOM 252 C ARG A 93 -1.372 -5.714 6.696 1.00 0.00 C ATOM 253 O ARG A 93 -0.257 -6.232 6.770 1.00 0.00 O ATOM 254 CB ARG A 93 -0.857 -3.415 7.519 1.00 0.00 C ATOM 255 CG ARG A 93 -1.481 -2.045 7.731 1.00 0.00 C ATOM 256 CD ARG A 93 -0.421 -0.977 7.944 1.00 0.00 C ATOM 257 NE ARG A 93 -0.027 -0.868 9.346 1.00 0.00 N ATOM 258 CZ ARG A 93 0.565 0.204 9.861 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.831 1.252 9.093 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.894 0.230 11.145 1.00 0.00 N ATOM 0 H ARG A 93 -3.517 -4.147 7.045 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.026 -4.007 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.914 -3.979 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.201 -3.291 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.092 -1.785 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.146 -2.076 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.455 -1.210 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.801 -0.015 7.599 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.217 -1.658 9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.581 1.236 8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.286 2.074 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.693 -0.574 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.348 1.054 11.538 1.00 0.00 H new ATOM 274 N THR A 94 -2.497 -6.402 6.867 1.00 0.00 N ATOM 275 CA THR A 94 -2.475 -7.831 7.154 1.00 0.00 C ATOM 276 C THR A 94 -3.752 -8.511 6.674 1.00 0.00 C ATOM 277 O THR A 94 -4.773 -8.493 7.360 1.00 0.00 O ATOM 278 CB THR A 94 -2.296 -8.064 8.654 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.074 -7.147 9.402 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.860 -7.927 9.111 1.00 0.00 C ATOM 0 H THR A 94 -3.431 -5.995 6.812 1.00 0.00 H new ATOM 0 HA THR A 94 -1.633 -8.268 6.617 1.00 0.00 H new ATOM 0 HB THR A 94 -2.621 -9.090 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.998 -7.161 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.801 -8.104 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.241 -8.656 8.589 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.502 -6.922 8.889 1.00 0.00 H new ATOM 288 N PRO A 95 -3.704 -9.124 5.483 1.00 0.00 N ATOM 289 CA PRO A 95 -4.856 -9.820 4.904 1.00 0.00 C ATOM 290 C PRO A 95 -5.310 -10.992 5.768 1.00 0.00 C ATOM 291 O PRO A 95 -4.586 -11.973 5.926 1.00 0.00 O ATOM 292 CB PRO A 95 -4.345 -10.322 3.548 1.00 0.00 C ATOM 293 CG PRO A 95 -3.113 -9.526 3.272 1.00 0.00 C ATOM 294 CD PRO A 95 -2.525 -9.189 4.611 1.00 0.00 C ATOM 0 HA PRO A 95 -5.723 -9.165 4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.125 -11.389 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.091 -10.175 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.407 -10.097 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.351 -8.621 2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.818 -9.949 4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.987 -8.241 4.588 1.00 0.00 H new ATOM 349 N LYS A 100 0.005 -12.374 7.666 1.00 0.00 N ATOM 350 CA LYS A 100 1.452 -12.499 7.798 1.00 0.00 C ATOM 351 C LYS A 100 2.139 -11.173 7.493 1.00 0.00 C ATOM 352 O LYS A 100 3.345 -11.127 7.249 1.00 0.00 O ATOM 353 CB LYS A 100 1.978 -13.585 6.859 1.00 0.00 C ATOM 354 CG LYS A 100 1.771 -14.997 7.384 1.00 0.00 C ATOM 355 CD LYS A 100 3.081 -15.617 7.843 1.00 0.00 C ATOM 356 CE LYS A 100 2.977 -17.131 7.935 1.00 0.00 C ATOM 357 NZ LYS A 100 2.315 -17.567 9.196 1.00 0.00 N ATOM 0 HA LYS A 100 1.677 -12.778 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.482 -13.489 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.042 -13.422 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.065 -14.978 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.328 -15.616 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.876 -15.347 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.357 -15.210 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.415 -17.509 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.974 -17.567 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.264 -18.605 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.864 -17.229 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.354 -17.172 9.238 1.00 0.00 H new ATOM 371 N ALA A 101 1.363 -10.094 7.508 1.00 0.00 N ATOM 372 CA ALA A 101 1.894 -8.765 7.231 1.00 0.00 C ATOM 373 C ALA A 101 2.512 -8.700 5.839 1.00 0.00 C ATOM 374 O ALA A 101 3.627 -9.174 5.621 1.00 0.00 O ATOM 375 CB ALA A 101 2.919 -8.381 8.287 1.00 0.00 C ATOM 0 H ALA A 101 0.363 -10.115 7.709 1.00 0.00 H new ATOM 0 HA ALA A 101 1.069 -8.054 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.309 -7.387 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.446 -8.379 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.737 -9.101 8.279 1.00 0.00 H new ATOM 381 N PHE A 102 1.781 -8.110 4.899 1.00 0.00 N ATOM 382 CA PHE A 102 2.259 -7.984 3.528 1.00 0.00 C ATOM 383 C PHE A 102 3.586 -7.234 3.486 1.00 0.00 C ATOM 384 O PHE A 102 4.656 -7.842 3.527 1.00 0.00 O ATOM 385 CB PHE A 102 1.220 -7.264 2.664 1.00 0.00 C ATOM 386 CG PHE A 102 0.528 -8.168 1.681 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.261 -8.889 0.746 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.857 -8.294 1.690 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.625 -9.722 -0.162 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.498 -9.124 0.784 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.755 -9.839 -0.143 1.00 0.00 C ATOM 0 H PHE A 102 0.856 -7.712 5.062 1.00 0.00 H new ATOM 0 HA PHE A 102 2.415 -8.986 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.473 -6.807 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.708 -6.455 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.337 -8.800 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.439 -7.739 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.205 -10.279 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.574 -9.214 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.252 -10.487 -0.850 1.00 0.00 H new ATOM 401 N ILE A 103 3.512 -5.909 3.407 1.00 0.00 N ATOM 402 CA ILE A 103 4.711 -5.079 3.363 1.00 0.00 C ATOM 403 C ILE A 103 4.568 -3.862 4.270 1.00 0.00 C ATOM 404 O ILE A 103 4.495 -2.727 3.798 1.00 0.00 O ATOM 405 CB ILE A 103 5.015 -4.607 1.929 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.729 -5.728 0.929 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.462 -4.148 1.819 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.585 -6.959 1.140 1.00 0.00 C ATOM 0 H ILE A 103 2.636 -5.388 3.372 1.00 0.00 H new ATOM 0 HA ILE A 103 5.538 -5.696 3.715 1.00 0.00 H new ATOM 0 HB ILE A 103 4.367 -3.762 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.678 -6.009 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.890 -5.352 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.662 -3.817 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.635 -3.322 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.126 -4.975 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.328 -7.713 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.637 -6.692 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.407 -7.359 2.138 1.00 0.00 H new ATOM 420 N GLU A 104 4.529 -4.108 5.575 1.00 0.00 N ATOM 421 CA GLU A 104 4.394 -3.035 6.553 1.00 0.00 C ATOM 422 C GLU A 104 5.493 -1.992 6.375 1.00 0.00 C ATOM 423 O GLU A 104 6.460 -2.212 5.646 1.00 0.00 O ATOM 424 CB GLU A 104 4.438 -3.601 7.971 1.00 0.00 C ATOM 425 CG GLU A 104 3.113 -3.499 8.709 1.00 0.00 C ATOM 426 CD GLU A 104 3.265 -3.676 10.207 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.292 -4.837 10.667 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.355 -2.655 10.920 1.00 0.00 O ATOM 0 H GLU A 104 4.589 -5.042 5.980 1.00 0.00 H new ATOM 0 HA GLU A 104 3.431 -2.551 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.740 -4.647 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.203 -3.073 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.662 -2.528 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.428 -4.255 8.325 1.00 0.00 H new ATOM 435 N VAL A 105 5.337 -0.856 7.048 1.00 0.00 N ATOM 436 CA VAL A 105 6.316 0.221 6.965 1.00 0.00 C ATOM 437 C VAL A 105 7.653 -0.204 7.561 1.00 0.00 C ATOM 438 O VAL A 105 7.701 -0.993 8.505 1.00 0.00 O ATOM 439 CB VAL A 105 5.823 1.487 7.692 1.00 0.00 C ATOM 440 CG1 VAL A 105 6.834 2.614 7.547 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.462 1.910 7.162 1.00 0.00 C ATOM 0 H VAL A 105 4.542 -0.658 7.656 1.00 0.00 H new ATOM 0 HA VAL A 105 6.448 0.447 5.907 1.00 0.00 H new ATOM 0 HB VAL A 105 5.719 1.258 8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.469 3.500 8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.786 2.306 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.973 2.845 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.129 2.806 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.537 2.121 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.743 1.107 7.323 1.00 0.00 H new ATOM 451 N GLY A 106 8.739 0.324 7.004 1.00 0.00 N ATOM 452 CA GLY A 106 10.063 -0.012 7.494 1.00 0.00 C ATOM 453 C GLY A 106 10.613 -1.272 6.857 1.00 0.00 C ATOM 454 O GLY A 106 11.779 -1.617 7.055 1.00 0.00 O ATOM 0 H GLY A 106 8.725 0.979 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.742 0.818 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.025 -0.142 8.576 1.00 0.00 H new ATOM 458 N GLN A 107 9.776 -1.961 6.090 1.00 0.00 N ATOM 459 CA GLN A 107 10.187 -3.190 5.423 1.00 0.00 C ATOM 460 C GLN A 107 10.774 -2.891 4.046 1.00 0.00 C ATOM 461 O GLN A 107 10.657 -1.775 3.542 1.00 0.00 O ATOM 462 CB GLN A 107 8.995 -4.143 5.289 1.00 0.00 C ATOM 463 CG GLN A 107 9.313 -5.418 4.526 1.00 0.00 C ATOM 464 CD GLN A 107 8.259 -6.491 4.721 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.980 -6.905 5.847 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.667 -6.948 3.624 1.00 0.00 N ATOM 0 H GLN A 107 8.809 -1.689 5.915 1.00 0.00 H new ATOM 0 HA GLN A 107 10.958 -3.666 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.638 -4.406 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.180 -3.623 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.402 -5.189 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.280 -5.800 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.929 -6.577 2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.950 -7.670 3.694 1.00 0.00 H new ATOM 475 N LYS A 108 11.409 -3.893 3.444 1.00 0.00 N ATOM 476 CA LYS A 108 12.014 -3.731 2.127 1.00 0.00 C ATOM 477 C LYS A 108 10.971 -3.878 1.025 1.00 0.00 C ATOM 478 O LYS A 108 9.934 -4.513 1.218 1.00 0.00 O ATOM 479 CB LYS A 108 13.133 -4.755 1.926 1.00 0.00 C ATOM 480 CG LYS A 108 12.838 -6.111 2.546 1.00 0.00 C ATOM 481 CD LYS A 108 11.490 -6.648 2.093 1.00 0.00 C ATOM 482 CE LYS A 108 11.502 -8.165 1.986 1.00 0.00 C ATOM 483 NZ LYS A 108 10.126 -8.728 1.921 1.00 0.00 N ATOM 0 H LYS A 108 11.517 -4.824 3.847 1.00 0.00 H new ATOM 0 HA LYS A 108 12.435 -2.727 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.308 -4.884 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.055 -4.362 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.623 -6.816 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.851 -6.026 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.718 -6.338 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.231 -6.216 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.058 -8.462 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.026 -8.585 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.178 -9.764 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.603 -8.467 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.634 -8.347 1.088 1.00 0.00 H new ATOM 497 N VAL A 109 11.253 -3.287 -0.131 1.00 0.00 N ATOM 498 CA VAL A 109 10.340 -3.350 -1.266 1.00 0.00 C ATOM 499 C VAL A 109 11.103 -3.322 -2.586 1.00 0.00 C ATOM 500 O VAL A 109 11.295 -2.262 -3.181 1.00 0.00 O ATOM 501 CB VAL A 109 9.335 -2.184 -1.244 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.054 -2.594 -0.535 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.952 -0.960 -0.581 1.00 0.00 C ATOM 0 H VAL A 109 12.107 -2.758 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 109 9.796 -4.291 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 109 9.085 -1.925 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.357 -1.756 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.603 -3.438 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.282 -2.882 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.227 -0.146 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.233 -1.204 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.838 -0.653 -1.137 1.00 0.00 H new ATOM 513 N ASN A 110 11.538 -4.495 -3.038 1.00 0.00 N ATOM 514 CA ASN A 110 12.281 -4.603 -4.288 1.00 0.00 C ATOM 515 C ASN A 110 11.335 -4.614 -5.485 1.00 0.00 C ATOM 516 O ASN A 110 10.270 -5.230 -5.442 1.00 0.00 O ATOM 517 CB ASN A 110 13.138 -5.871 -4.289 1.00 0.00 C ATOM 518 CG ASN A 110 12.313 -7.127 -4.483 1.00 0.00 C ATOM 519 OD1 ASN A 110 11.105 -7.135 -4.238 1.00 0.00 O ATOM 520 ND2 ASN A 110 12.961 -8.199 -4.925 1.00 0.00 N ATOM 0 H ASN A 110 11.389 -5.382 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 110 12.932 -3.733 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.882 -5.802 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.682 -5.939 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.458 -9.074 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.962 -8.148 -5.115 1.00 0.00 H new ATOM 527 N VAL A 111 11.732 -3.927 -6.552 1.00 0.00 N ATOM 528 CA VAL A 111 10.920 -3.859 -7.761 1.00 0.00 C ATOM 529 C VAL A 111 10.356 -5.227 -8.124 1.00 0.00 C ATOM 530 O VAL A 111 11.088 -6.115 -8.563 1.00 0.00 O ATOM 531 CB VAL A 111 11.733 -3.319 -8.954 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.818 -3.016 -10.130 1.00 0.00 C ATOM 533 CG2 VAL A 111 12.520 -2.083 -8.548 1.00 0.00 C ATOM 0 H VAL A 111 12.610 -3.410 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 111 10.098 -3.175 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 111 12.442 -4.086 -9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.410 -2.636 -10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.305 -3.928 -10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 111 10.083 -2.267 -9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 111 13.088 -1.716 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.832 -1.308 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.205 -2.337 -7.740 1.00 0.00 H new ATOM 543 N GLY A 112 9.051 -5.392 -7.937 1.00 0.00 N ATOM 544 CA GLY A 112 8.412 -6.657 -8.250 1.00 0.00 C ATOM 545 C GLY A 112 7.736 -7.281 -7.045 1.00 0.00 C ATOM 546 O GLY A 112 6.929 -8.200 -7.184 1.00 0.00 O ATOM 0 H GLY A 112 8.425 -4.673 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.674 -6.502 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.157 -7.349 -8.643 1.00 0.00 H new ATOM 550 N ASP A 113 8.066 -6.781 -5.858 1.00 0.00 N ATOM 551 CA ASP A 113 7.484 -7.295 -4.624 1.00 0.00 C ATOM 552 C ASP A 113 6.104 -6.694 -4.379 1.00 0.00 C ATOM 553 O ASP A 113 5.804 -5.595 -4.845 1.00 0.00 O ATOM 554 CB ASP A 113 8.402 -6.996 -3.440 1.00 0.00 C ATOM 555 CG ASP A 113 9.002 -8.253 -2.842 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.123 -9.260 -3.572 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.352 -8.233 -1.643 1.00 0.00 O ATOM 0 H ASP A 113 8.733 -6.021 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 113 7.375 -8.375 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.204 -6.333 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.839 -6.465 -2.673 1.00 0.00 H new ATOM 562 N THR A 114 5.269 -7.422 -3.645 1.00 0.00 N ATOM 563 CA THR A 114 3.920 -6.959 -3.339 1.00 0.00 C ATOM 564 C THR A 114 3.957 -5.733 -2.433 1.00 0.00 C ATOM 565 O THR A 114 5.019 -5.158 -2.193 1.00 0.00 O ATOM 566 CB THR A 114 3.115 -8.075 -2.673 1.00 0.00 C ATOM 567 OG1 THR A 114 3.803 -9.310 -2.759 1.00 0.00 O ATOM 568 CG2 THR A 114 1.744 -8.270 -3.285 1.00 0.00 C ATOM 0 H THR A 114 5.502 -8.334 -3.251 1.00 0.00 H new ATOM 0 HA THR A 114 3.437 -6.681 -4.276 1.00 0.00 H new ATOM 0 HB THR A 114 2.992 -7.763 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.272 -10.011 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.225 -9.076 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.169 -7.349 -3.190 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.849 -8.525 -4.339 1.00 0.00 H new ATOM 576 N LEU A 115 2.791 -5.339 -1.932 1.00 0.00 N ATOM 577 CA LEU A 115 2.690 -4.181 -1.053 1.00 0.00 C ATOM 578 C LEU A 115 1.574 -4.370 -0.029 1.00 0.00 C ATOM 579 O LEU A 115 1.834 -4.533 1.164 1.00 0.00 O ATOM 580 CB LEU A 115 2.436 -2.914 -1.872 1.00 0.00 C ATOM 581 CG LEU A 115 2.830 -1.607 -1.183 1.00 0.00 C ATOM 582 CD1 LEU A 115 4.228 -1.181 -1.605 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.821 -0.513 -1.497 1.00 0.00 C ATOM 0 H LEU A 115 1.903 -5.805 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 115 3.635 -4.078 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.984 -2.991 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.376 -2.869 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 115 2.832 -1.774 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.491 -0.249 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.943 -1.956 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.253 -1.033 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.118 0.410 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.786 -0.348 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.835 -0.815 -1.144 1.00 0.00 H new ATOM 595 N CYS A 116 0.332 -4.347 -0.504 1.00 0.00 N ATOM 596 CA CYS A 116 -0.822 -4.516 0.372 1.00 0.00 C ATOM 597 C CYS A 116 -2.120 -4.526 -0.431 1.00 0.00 C ATOM 598 O CYS A 116 -2.188 -3.971 -1.527 1.00 0.00 O ATOM 599 CB CYS A 116 -0.865 -3.396 1.413 1.00 0.00 C ATOM 600 SG CYS A 116 -0.660 -1.738 0.723 1.00 0.00 S ATOM 0 H CYS A 116 0.100 -4.213 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.722 -5.475 0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.817 -3.443 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.082 -3.570 2.151 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.377 -0.893 1.403 1.00 0.00 H new ATOM 606 N ILE A 117 -3.147 -5.162 0.125 1.00 0.00 N ATOM 607 CA ILE A 117 -4.445 -5.248 -0.536 1.00 0.00 C ATOM 608 C ILE A 117 -5.264 -3.980 -0.303 1.00 0.00 C ATOM 609 O ILE A 117 -5.285 -3.435 0.801 1.00 0.00 O ATOM 610 CB ILE A 117 -5.249 -6.470 -0.035 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.705 -7.759 -0.651 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.729 -6.318 -0.357 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.858 -8.967 0.248 1.00 0.00 C ATOM 0 H ILE A 117 -3.105 -5.626 1.033 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.254 -5.361 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.138 -6.524 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.221 -7.949 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.650 -7.623 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.272 -7.191 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.117 -5.422 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.860 -6.232 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.451 -9.846 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.319 -8.797 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.914 -9.128 0.464 1.00 0.00 H new ATOM 625 N VAL A 118 -5.951 -3.529 -1.347 1.00 0.00 N ATOM 626 CA VAL A 118 -6.786 -2.339 -1.257 1.00 0.00 C ATOM 627 C VAL A 118 -8.230 -2.730 -0.971 1.00 0.00 C ATOM 628 O VAL A 118 -9.018 -1.929 -0.467 1.00 0.00 O ATOM 629 CB VAL A 118 -6.739 -1.512 -2.556 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.252 -0.102 -2.312 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.327 -1.483 -3.122 1.00 0.00 C ATOM 0 H VAL A 118 -5.945 -3.971 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.395 -1.729 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.390 -1.988 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.211 0.466 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.282 -0.146 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.631 0.386 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.315 -0.894 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.652 -1.034 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.001 -2.500 -3.340 1.00 0.00 H new ATOM 641 N GLU A 119 -8.564 -3.975 -1.296 1.00 0.00 N ATOM 642 CA GLU A 119 -9.906 -4.500 -1.081 1.00 0.00 C ATOM 643 C GLU A 119 -10.961 -3.413 -1.254 1.00 0.00 C ATOM 644 O GLU A 119 -11.344 -2.745 -0.293 1.00 0.00 O ATOM 645 CB GLU A 119 -10.017 -5.118 0.314 1.00 0.00 C ATOM 646 CG GLU A 119 -11.353 -5.796 0.574 1.00 0.00 C ATOM 647 CD GLU A 119 -11.799 -5.668 2.018 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.313 -4.591 2.388 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.635 -6.645 2.778 1.00 0.00 O ATOM 0 H GLU A 119 -7.916 -4.644 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.086 -5.271 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.217 -5.847 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.863 -4.339 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.111 -5.360 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.278 -6.852 0.313 1.00 0.00 H new ATOM 656 N ALA A 120 -11.434 -3.248 -2.484 1.00 0.00 N ATOM 657 CA ALA A 120 -12.452 -2.250 -2.785 1.00 0.00 C ATOM 658 C ALA A 120 -13.692 -2.908 -3.383 1.00 0.00 C ATOM 659 O ALA A 120 -14.551 -2.237 -3.954 1.00 0.00 O ATOM 660 CB ALA A 120 -11.899 -1.199 -3.734 1.00 0.00 C ATOM 0 H ALA A 120 -11.128 -3.794 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.739 -1.761 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.671 -0.461 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.044 -0.706 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.585 -1.676 -4.662 1.00 0.00 H new ATOM 666 N MET A 121 -13.771 -4.228 -3.246 1.00 0.00 N ATOM 667 CA MET A 121 -14.898 -4.992 -3.770 1.00 0.00 C ATOM 668 C MET A 121 -14.513 -6.456 -3.946 1.00 0.00 C ATOM 669 O MET A 121 -14.857 -7.082 -4.948 1.00 0.00 O ATOM 670 CB MET A 121 -15.360 -4.412 -5.108 1.00 0.00 C ATOM 671 CG MET A 121 -14.218 -4.089 -6.058 1.00 0.00 C ATOM 672 SD MET A 121 -14.779 -3.823 -7.751 1.00 0.00 S ATOM 673 CE MET A 121 -14.420 -2.081 -7.957 1.00 0.00 C ATOM 0 H MET A 121 -13.065 -4.793 -2.774 1.00 0.00 H new ATOM 0 HA MET A 121 -15.718 -4.926 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.032 -5.122 -5.590 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.935 -3.505 -4.922 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.699 -3.197 -5.707 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.495 -4.905 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.712 -1.765 -8.958 1.00 0.00 H new ATOM 0 HE2 MET A 121 -14.977 -1.505 -7.218 1.00 0.00 H new ATOM 0 HE3 MET A 121 -13.352 -1.911 -7.820 1.00 0.00 H new ATOM 683 N LYS A 122 -13.789 -6.995 -2.969 1.00 0.00 N ATOM 684 CA LYS A 122 -13.350 -8.383 -3.023 1.00 0.00 C ATOM 685 C LYS A 122 -12.471 -8.614 -4.246 1.00 0.00 C ATOM 686 O LYS A 122 -12.269 -9.749 -4.677 1.00 0.00 O ATOM 687 CB LYS A 122 -14.556 -9.325 -3.058 1.00 0.00 C ATOM 688 CG LYS A 122 -14.179 -10.797 -3.005 1.00 0.00 C ATOM 689 CD LYS A 122 -12.936 -11.026 -2.160 1.00 0.00 C ATOM 690 CE LYS A 122 -13.191 -10.708 -0.696 1.00 0.00 C ATOM 691 NZ LYS A 122 -12.066 -11.096 0.153 1.00 0.00 N ATOM 0 H LYS A 122 -13.495 -6.491 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.767 -8.594 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.211 -9.095 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.127 -9.137 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.010 -11.371 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.005 -11.165 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.615 -12.063 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.122 -10.404 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.378 -9.640 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.091 -11.226 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.399 -11.741 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.345 -11.576 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.652 -10.248 0.590 1.00 0.00 H new ATOM 702 N MET A 123 -11.953 -7.522 -4.801 1.00 0.00 N ATOM 703 CA MET A 123 -11.096 -7.590 -5.978 1.00 0.00 C ATOM 704 C MET A 123 -9.664 -7.950 -5.593 1.00 0.00 C ATOM 705 O MET A 123 -8.898 -8.450 -6.417 1.00 0.00 O ATOM 706 CB MET A 123 -11.118 -6.253 -6.722 1.00 0.00 C ATOM 707 CG MET A 123 -10.456 -5.119 -5.956 1.00 0.00 C ATOM 708 SD MET A 123 -11.142 -3.504 -6.373 1.00 0.00 S ATOM 709 CE MET A 123 -9.840 -2.419 -5.793 1.00 0.00 C ATOM 0 H MET A 123 -12.113 -6.577 -4.452 1.00 0.00 H new ATOM 0 HA MET A 123 -11.480 -8.372 -6.633 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.616 -6.373 -7.682 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.152 -5.982 -6.934 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.571 -5.293 -4.886 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.386 -5.120 -6.166 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.280 -1.511 -5.381 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.262 -2.925 -5.020 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.185 -2.160 -6.625 1.00 0.00 H new ATOM 719 N MET A 124 -9.308 -7.694 -4.337 1.00 0.00 N ATOM 720 CA MET A 124 -7.968 -7.992 -3.849 1.00 0.00 C ATOM 721 C MET A 124 -6.916 -7.237 -4.653 1.00 0.00 C ATOM 722 O MET A 124 -5.846 -7.769 -4.949 1.00 0.00 O ATOM 723 CB MET A 124 -7.698 -9.498 -3.920 1.00 0.00 C ATOM 724 CG MET A 124 -7.178 -10.086 -2.619 1.00 0.00 C ATOM 725 SD MET A 124 -8.137 -9.563 -1.184 1.00 0.00 S ATOM 726 CE MET A 124 -9.806 -9.817 -1.781 1.00 0.00 C ATOM 0 H MET A 124 -9.929 -7.281 -3.641 1.00 0.00 H new ATOM 0 HA MET A 124 -7.907 -7.668 -2.810 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.619 -10.011 -4.198 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.974 -9.692 -4.711 1.00 0.00 H new ATOM 0 HG2 MET A 124 -7.195 -11.174 -2.685 1.00 0.00 H new ATOM 0 HG3 MET A 124 -6.138 -9.791 -2.482 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.516 -9.406 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.929 -9.315 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 124 -9.990 -10.884 -1.903 1.00 0.00 H new ATOM 736 N ASN A 125 -7.226 -5.993 -5.000 1.00 0.00 N ATOM 737 CA ASN A 125 -6.304 -5.162 -5.766 1.00 0.00 C ATOM 738 C ASN A 125 -5.097 -4.778 -4.918 1.00 0.00 C ATOM 739 O ASN A 125 -4.966 -3.633 -4.489 1.00 0.00 O ATOM 740 CB ASN A 125 -7.013 -3.903 -6.266 1.00 0.00 C ATOM 741 CG ASN A 125 -7.082 -3.839 -7.779 1.00 0.00 C ATOM 742 OD1 ASN A 125 -6.058 -3.748 -8.456 1.00 0.00 O ATOM 743 ND2 ASN A 125 -8.295 -3.889 -8.318 1.00 0.00 N ATOM 0 H ASN A 125 -8.108 -5.538 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 125 -5.958 -5.737 -6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.023 -3.872 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.491 -3.023 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -8.405 -3.852 -9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -9.117 -3.964 -7.718 1.00 0.00 H new ATOM 750 N GLN A 126 -4.223 -5.748 -4.676 1.00 0.00 N ATOM 751 CA GLN A 126 -3.029 -5.517 -3.874 1.00 0.00 C ATOM 752 C GLN A 126 -1.923 -4.876 -4.703 1.00 0.00 C ATOM 753 O GLN A 126 -1.641 -5.307 -5.821 1.00 0.00 O ATOM 754 CB GLN A 126 -2.536 -6.834 -3.273 1.00 0.00 C ATOM 755 CG GLN A 126 -2.125 -7.859 -4.318 1.00 0.00 C ATOM 756 CD GLN A 126 -1.499 -9.098 -3.706 1.00 0.00 C ATOM 757 OE1 GLN A 126 -0.976 -9.059 -2.593 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.550 -10.206 -4.436 1.00 0.00 N ATOM 0 H GLN A 126 -4.319 -6.702 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.291 -4.830 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.687 -6.631 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.324 -7.258 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.999 -8.148 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.417 -7.403 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.994 -10.192 -5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.145 -11.071 -4.079 1.00 0.00 H new ATOM 767 N ILE A 127 -1.299 -3.845 -4.144 1.00 0.00 N ATOM 768 CA ILE A 127 -0.220 -3.143 -4.827 1.00 0.00 C ATOM 769 C ILE A 127 1.101 -3.886 -4.669 1.00 0.00 C ATOM 770 O ILE A 127 1.293 -4.631 -3.707 1.00 0.00 O ATOM 771 CB ILE A 127 -0.054 -1.709 -4.290 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.418 -1.029 -4.157 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.861 -0.904 -5.201 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.340 -1.293 -5.326 1.00 0.00 C ATOM 0 H ILE A 127 -1.522 -3.477 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.488 -3.099 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 127 0.403 -1.758 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -1.898 -1.372 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.271 0.046 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.968 0.107 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.840 -1.381 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.431 -0.860 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.288 -0.781 -5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.880 -0.924 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.517 -2.365 -5.415 1.00 0.00 H new ATOM 786 N GLU A 128 2.009 -3.678 -5.616 1.00 0.00 N ATOM 787 CA GLU A 128 3.314 -4.329 -5.579 1.00 0.00 C ATOM 788 C GLU A 128 4.429 -3.325 -5.851 1.00 0.00 C ATOM 789 O GLU A 128 4.532 -2.777 -6.948 1.00 0.00 O ATOM 790 CB GLU A 128 3.372 -5.461 -6.607 1.00 0.00 C ATOM 791 CG GLU A 128 2.006 -5.994 -7.004 1.00 0.00 C ATOM 792 CD GLU A 128 2.052 -6.835 -8.265 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.982 -7.659 -8.395 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.158 -6.671 -9.122 1.00 0.00 O ATOM 0 H GLU A 128 1.866 -3.064 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 128 3.457 -4.745 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.887 -5.104 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.968 -6.279 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.602 -6.592 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.323 -5.158 -7.154 1.00 0.00 H new ATOM 801 N ALA A 129 5.262 -3.087 -4.843 1.00 0.00 N ATOM 802 CA ALA A 129 6.370 -2.147 -4.973 1.00 0.00 C ATOM 803 C ALA A 129 7.148 -2.393 -6.261 1.00 0.00 C ATOM 804 O ALA A 129 7.609 -3.506 -6.517 1.00 0.00 O ATOM 805 CB ALA A 129 7.293 -2.250 -3.768 1.00 0.00 C ATOM 0 H ALA A 129 5.191 -3.532 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 129 5.957 -1.139 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 129 8.115 -1.543 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.734 -2.018 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.691 -3.262 -3.700 1.00 0.00 H new ATOM 811 N ASP A 130 7.294 -1.347 -7.068 1.00 0.00 N ATOM 812 CA ASP A 130 8.019 -1.450 -8.329 1.00 0.00 C ATOM 813 C ASP A 130 9.013 -0.304 -8.480 1.00 0.00 C ATOM 814 O ASP A 130 9.328 0.116 -9.595 1.00 0.00 O ATOM 815 CB ASP A 130 7.041 -1.450 -9.506 1.00 0.00 C ATOM 816 CG ASP A 130 5.936 -0.424 -9.340 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.353 -0.352 -8.237 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.654 0.307 -10.312 1.00 0.00 O ATOM 0 H ASP A 130 6.920 -0.419 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 130 8.572 -2.389 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.586 -1.247 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.600 -2.442 -9.608 1.00 0.00 H new ATOM 823 N LYS A 131 9.506 0.198 -7.353 1.00 0.00 N ATOM 824 CA LYS A 131 10.467 1.295 -7.359 1.00 0.00 C ATOM 825 C LYS A 131 11.716 0.933 -6.560 1.00 0.00 C ATOM 826 O LYS A 131 12.664 1.715 -6.487 1.00 0.00 O ATOM 827 CB LYS A 131 9.830 2.562 -6.785 1.00 0.00 C ATOM 828 CG LYS A 131 10.529 3.844 -7.213 1.00 0.00 C ATOM 829 CD LYS A 131 9.739 4.577 -8.284 1.00 0.00 C ATOM 830 CE LYS A 131 10.651 5.385 -9.193 1.00 0.00 C ATOM 831 NZ LYS A 131 10.168 6.782 -9.368 1.00 0.00 N ATOM 0 H LYS A 131 9.256 -0.138 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 131 10.761 1.479 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.786 2.606 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.836 2.501 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.661 4.494 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.524 3.609 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.175 3.858 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.013 5.240 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.658 5.399 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.716 4.899 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.818 7.298 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.217 6.770 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.131 7.255 -8.442 1.00 0.00 H new ATOM 845 N SER A 132 11.711 -0.255 -5.963 1.00 0.00 N ATOM 846 CA SER A 132 12.846 -0.716 -5.171 1.00 0.00 C ATOM 847 C SER A 132 13.130 0.243 -4.020 1.00 0.00 C ATOM 848 O SER A 132 13.183 1.459 -4.211 1.00 0.00 O ATOM 849 CB SER A 132 14.087 -0.856 -6.053 1.00 0.00 C ATOM 850 OG SER A 132 15.260 -0.495 -5.343 1.00 0.00 O ATOM 0 H SER A 132 10.935 -0.915 -6.013 1.00 0.00 H new ATOM 0 HA SER A 132 12.595 -1.691 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.173 -1.884 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.983 -0.225 -6.935 1.00 0.00 H new ATOM 0 HG SER A 132 16.040 -0.594 -5.928 1.00 0.00 H new ATOM 856 N GLY A 133 13.311 -0.310 -2.826 1.00 0.00 N ATOM 857 CA GLY A 133 13.588 0.511 -1.662 1.00 0.00 C ATOM 858 C GLY A 133 12.901 -0.004 -0.413 1.00 0.00 C ATOM 859 O GLY A 133 12.591 -1.191 -0.310 1.00 0.00 O ATOM 0 H GLY A 133 13.271 -1.313 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.664 0.545 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.263 1.533 -1.856 1.00 0.00 H new ATOM 863 N THR A 134 12.662 0.891 0.540 1.00 0.00 N ATOM 864 CA THR A 134 12.006 0.522 1.789 1.00 0.00 C ATOM 865 C THR A 134 10.923 1.532 2.154 1.00 0.00 C ATOM 866 O THR A 134 11.145 2.741 2.106 1.00 0.00 O ATOM 867 CB THR A 134 13.032 0.427 2.919 1.00 0.00 C ATOM 868 OG1 THR A 134 14.007 -0.559 2.629 1.00 0.00 O ATOM 869 CG2 THR A 134 12.418 0.084 4.259 1.00 0.00 C ATOM 0 H THR A 134 12.913 1.877 0.471 1.00 0.00 H new ATOM 0 HA THR A 134 11.537 -0.452 1.650 1.00 0.00 H new ATOM 0 HB THR A 134 13.480 1.419 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.655 -0.604 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.201 0.032 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.696 0.852 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 134 11.914 -0.880 4.192 1.00 0.00 H new ATOM 877 N VAL A 135 9.748 1.026 2.517 1.00 0.00 N ATOM 878 CA VAL A 135 8.629 1.884 2.889 1.00 0.00 C ATOM 879 C VAL A 135 9.032 2.872 3.978 1.00 0.00 C ATOM 880 O VAL A 135 9.728 2.514 4.928 1.00 0.00 O ATOM 881 CB VAL A 135 7.427 1.058 3.381 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.336 1.970 3.920 1.00 0.00 C ATOM 883 CG2 VAL A 135 6.891 0.178 2.262 1.00 0.00 C ATOM 0 H VAL A 135 9.547 0.027 2.561 1.00 0.00 H new ATOM 0 HA VAL A 135 8.340 2.433 1.993 1.00 0.00 H new ATOM 0 HB VAL A 135 7.762 0.412 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.495 1.368 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.728 2.553 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.002 2.644 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.042 -0.399 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.573 0.803 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.674 -0.502 1.927 1.00 0.00 H new ATOM 893 N LYS A 136 8.590 4.116 3.834 1.00 0.00 N ATOM 894 CA LYS A 136 8.904 5.157 4.807 1.00 0.00 C ATOM 895 C LYS A 136 7.810 5.260 5.864 1.00 0.00 C ATOM 896 O LYS A 136 8.088 5.234 7.064 1.00 0.00 O ATOM 897 CB LYS A 136 9.081 6.504 4.106 1.00 0.00 C ATOM 898 CG LYS A 136 10.356 7.231 4.498 1.00 0.00 C ATOM 899 CD LYS A 136 10.646 7.089 5.983 1.00 0.00 C ATOM 900 CE LYS A 136 11.799 6.130 6.236 1.00 0.00 C ATOM 901 NZ LYS A 136 11.605 5.346 7.486 1.00 0.00 N ATOM 0 H LYS A 136 8.013 4.429 3.053 1.00 0.00 H new ATOM 0 HA LYS A 136 9.838 4.888 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.080 6.346 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.225 7.139 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.193 6.834 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.267 8.287 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.885 8.066 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.754 6.731 6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.896 5.448 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.731 6.692 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.412 4.705 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.538 5.995 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.729 4.790 7.415 1.00 0.00 H new ATOM 915 N ALA A 137 6.565 5.380 5.412 1.00 0.00 N ATOM 916 CA ALA A 137 5.431 5.490 6.323 1.00 0.00 C ATOM 917 C ALA A 137 4.110 5.437 5.566 1.00 0.00 C ATOM 918 O ALA A 137 4.086 5.408 4.335 1.00 0.00 O ATOM 919 CB ALA A 137 5.527 6.774 7.131 1.00 0.00 C ATOM 0 H ALA A 137 6.317 5.403 4.423 1.00 0.00 H new ATOM 0 HA ALA A 137 5.462 4.640 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.674 6.843 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.450 6.771 7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.525 7.630 6.456 1.00 0.00 H new ATOM 925 N ILE A 138 3.009 5.427 6.312 1.00 0.00 N ATOM 926 CA ILE A 138 1.680 5.380 5.715 1.00 0.00 C ATOM 927 C ILE A 138 0.807 6.519 6.231 1.00 0.00 C ATOM 928 O ILE A 138 0.960 6.965 7.368 1.00 0.00 O ATOM 929 CB ILE A 138 0.982 4.036 6.006 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.674 2.902 5.248 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.492 4.109 5.631 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.807 1.674 5.074 1.00 0.00 C ATOM 0 H ILE A 138 3.012 5.451 7.332 1.00 0.00 H new ATOM 0 HA ILE A 138 1.810 5.486 4.638 1.00 0.00 H new ATOM 0 HB ILE A 138 1.054 3.832 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.978 3.265 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.583 2.622 5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.969 3.152 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.977 4.893 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.586 4.334 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.362 0.911 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.524 1.287 6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -0.091 1.939 4.515 1.00 0.00 H new ATOM 944 N LEU A 139 -0.108 6.984 5.387 1.00 0.00 N ATOM 945 CA LEU A 139 -1.006 8.073 5.757 1.00 0.00 C ATOM 946 C LEU A 139 -2.463 7.623 5.697 1.00 0.00 C ATOM 947 O LEU A 139 -3.299 8.088 6.472 1.00 0.00 O ATOM 948 CB LEU A 139 -0.792 9.273 4.835 1.00 0.00 C ATOM 949 CG LEU A 139 0.453 10.109 5.137 1.00 0.00 C ATOM 950 CD1 LEU A 139 0.569 10.375 6.629 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.701 9.411 4.620 1.00 0.00 C ATOM 0 H LEU A 139 -0.248 6.624 4.443 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.778 8.366 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.730 8.915 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.668 9.919 4.896 1.00 0.00 H new ATOM 0 HG LEU A 139 0.357 11.066 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.461 10.971 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.312 10.918 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.642 9.428 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.577 10.020 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.801 8.439 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.620 9.273 3.542 1.00 0.00 H new ATOM 963 N VAL A 140 -2.760 6.718 4.770 1.00 0.00 N ATOM 964 CA VAL A 140 -4.117 6.208 4.607 1.00 0.00 C ATOM 965 C VAL A 140 -4.646 5.622 5.911 1.00 0.00 C ATOM 966 O VAL A 140 -5.845 5.677 6.185 1.00 0.00 O ATOM 967 CB VAL A 140 -4.184 5.132 3.508 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.530 4.424 3.531 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.921 5.747 2.143 1.00 0.00 C ATOM 0 H VAL A 140 -2.080 6.323 4.121 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.739 7.054 4.315 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.408 4.392 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.557 3.668 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.674 3.947 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.326 5.150 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.972 4.972 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.672 6.510 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.930 6.201 2.133 1.00 0.00 H new ATOM 979 N GLU A 141 -3.745 5.058 6.711 1.00 0.00 N ATOM 980 CA GLU A 141 -4.121 4.458 7.985 1.00 0.00 C ATOM 981 C GLU A 141 -4.943 3.193 7.768 1.00 0.00 C ATOM 982 O GLU A 141 -6.163 3.251 7.610 1.00 0.00 O ATOM 983 CB GLU A 141 -4.909 5.457 8.836 1.00 0.00 C ATOM 984 CG GLU A 141 -4.038 6.282 9.769 1.00 0.00 C ATOM 985 CD GLU A 141 -4.813 6.845 10.944 1.00 0.00 C ATOM 986 OE1 GLU A 141 -5.612 6.094 11.543 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.620 8.036 11.268 1.00 0.00 O ATOM 0 H GLU A 141 -2.749 5.005 6.498 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.207 4.189 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.459 6.129 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.648 4.915 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.221 5.663 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -3.587 7.102 9.209 1.00 0.00 H new ATOM 994 N SER A 142 -4.264 2.052 7.759 1.00 0.00 N ATOM 995 CA SER A 142 -4.926 0.771 7.559 1.00 0.00 C ATOM 996 C SER A 142 -6.277 0.743 8.270 1.00 0.00 C ATOM 997 O SER A 142 -6.535 1.551 9.162 1.00 0.00 O ATOM 998 CB SER A 142 -4.040 -0.364 8.071 1.00 0.00 C ATOM 999 OG SER A 142 -4.538 -0.895 9.287 1.00 0.00 O ATOM 0 H SER A 142 -3.254 1.989 7.888 1.00 0.00 H new ATOM 0 HA SER A 142 -5.096 0.636 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.987 -1.153 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.025 0.003 8.220 1.00 0.00 H new ATOM 0 HG SER A 142 -4.169 -1.792 9.428 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.140 -0.188 7.869 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.451 -0.289 8.481 1.00 0.00 C ATOM 1007 C GLY A 143 -9.316 0.920 8.188 1.00 0.00 C ATOM 1008 O GLY A 143 -10.403 1.066 8.747 1.00 0.00 O ATOM 0 H GLY A 143 -6.954 -0.871 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.951 -1.187 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.339 -0.400 9.559 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.830 1.792 7.309 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.563 2.997 6.939 1.00 0.00 C ATOM 1014 C GLN A 144 -9.873 3.007 5.445 1.00 0.00 C ATOM 1015 O GLN A 144 -9.011 2.706 4.619 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.756 4.242 7.315 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.567 5.526 7.287 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.774 6.055 5.882 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -10.906 6.202 5.422 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.677 6.343 5.190 1.00 0.00 N ATOM 0 H GLN A 144 -7.931 1.686 6.840 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.506 3.004 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.340 4.107 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.914 4.339 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.537 5.349 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.061 6.284 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.758 6.206 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -8.754 6.701 4.238 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.116 3.356 5.082 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.550 3.406 3.681 1.00 0.00 C ATOM 1031 C PRO A 145 -10.769 4.434 2.871 1.00 0.00 C ATOM 1032 O PRO A 145 -10.920 5.640 3.068 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.028 3.807 3.772 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.181 4.426 5.119 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.196 3.726 6.009 1.00 0.00 C ATOM 0 HA PRO A 145 -11.386 2.456 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.295 4.510 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.679 2.940 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.981 5.497 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.198 4.305 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.838 4.378 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.635 2.850 6.487 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.935 3.947 1.956 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.130 4.823 1.114 1.00 0.00 C ATOM 1045 C VAL A 146 -10.010 5.674 0.206 1.00 0.00 C ATOM 1046 O VAL A 146 -11.100 5.256 -0.189 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.146 4.017 0.244 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.271 3.125 1.110 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.899 3.195 -0.792 1.00 0.00 C ATOM 0 H VAL A 146 -9.800 2.951 1.780 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.566 5.473 1.783 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.498 4.718 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.583 2.564 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.702 3.740 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.899 2.430 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.188 2.633 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.573 2.503 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.476 3.860 -1.435 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.531 6.869 -0.124 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.275 7.778 -0.987 1.00 0.00 C ATOM 1061 C GLU A 147 -9.394 8.293 -2.121 1.00 0.00 C ATOM 1062 O GLU A 147 -8.177 8.405 -1.974 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.821 8.953 -0.175 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.050 8.626 1.291 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.236 9.866 2.143 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.333 10.459 2.095 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -10.284 10.244 2.858 1.00 0.00 O ATOM 0 H GLU A 147 -8.631 7.230 0.193 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.110 7.227 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -10.125 9.789 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -11.762 9.283 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.930 7.990 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -10.202 8.054 1.669 1.00 0.00 H new ATOM 1074 N PHE A 148 -10.019 8.606 -3.252 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.295 9.111 -4.414 1.00 0.00 C ATOM 1076 C PHE A 148 -8.127 9.996 -3.990 1.00 0.00 C ATOM 1077 O PHE A 148 -8.321 11.041 -3.370 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.237 9.894 -5.325 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.893 9.785 -6.782 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.763 10.414 -7.293 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.700 9.052 -7.646 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.444 10.315 -8.638 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -10.386 8.949 -8.992 1.00 0.00 C ATOM 1084 CZ PHE A 148 -9.257 9.582 -9.489 1.00 0.00 C ATOM 0 H PHE A 148 -11.026 8.519 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.897 8.256 -4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -11.256 9.537 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.221 10.944 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.127 10.986 -6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.581 8.558 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.563 10.808 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -11.020 8.376 -9.653 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.011 9.504 -10.538 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.915 9.570 -4.330 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.714 10.325 -3.986 1.00 0.00 C ATOM 1096 C ASP A 149 -5.409 10.213 -2.495 1.00 0.00 C ATOM 1097 O ASP A 149 -5.580 11.174 -1.743 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.881 11.794 -4.376 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.737 12.297 -5.236 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.330 11.568 -6.166 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.251 13.418 -4.981 1.00 0.00 O ATOM 0 H ASP A 149 -6.738 8.707 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.877 9.902 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.820 11.920 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.948 12.401 -3.473 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.954 9.038 -2.074 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.624 8.803 -0.673 1.00 0.00 C ATOM 1108 C GLU A 150 -3.309 8.041 -0.542 1.00 0.00 C ATOM 1109 O GLU A 150 -3.229 6.858 -0.870 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.747 8.023 0.013 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.187 8.628 1.336 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.043 9.278 2.088 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -3.981 8.636 2.226 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.208 10.432 2.539 1.00 0.00 O ATOM 0 H GLU A 150 -4.805 8.233 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.512 9.772 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.605 7.973 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.415 6.999 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.964 9.370 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -6.630 7.850 1.958 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.256 8.717 -0.055 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.936 8.106 0.123 1.00 0.00 C ATOM 1123 C PRO A 151 -1.008 6.782 0.879 1.00 0.00 C ATOM 1124 O PRO A 151 -0.887 6.749 2.104 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.172 9.149 0.941 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.822 10.444 0.598 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.274 10.131 0.361 1.00 0.00 C ATOM 0 HA PRO A 151 -0.466 7.863 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.239 8.942 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.887 9.157 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.706 11.165 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.368 10.885 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.869 10.277 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.702 10.771 -0.410 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.207 5.695 0.141 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.295 4.369 0.741 1.00 0.00 C ATOM 1137 C LEU A 152 -0.008 4.017 1.478 1.00 0.00 C ATOM 1138 O LEU A 152 -0.036 3.625 2.645 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.586 3.317 -0.331 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.858 3.558 -1.146 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.646 3.156 -2.597 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.026 2.792 -0.544 1.00 0.00 C ATOM 0 H LEU A 152 -1.310 5.706 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.113 4.379 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.738 3.272 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.660 2.341 0.150 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.091 4.622 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.561 3.334 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.836 3.747 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.389 2.098 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.924 2.974 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.801 1.726 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.192 3.127 0.480 1.00 0.00 H new ATOM 1154 N VAL A 153 1.121 4.159 0.791 1.00 0.00 N ATOM 1155 CA VAL A 153 2.418 3.855 1.381 1.00 0.00 C ATOM 1156 C VAL A 153 3.538 4.595 0.659 1.00 0.00 C ATOM 1157 O VAL A 153 3.797 4.352 -0.519 1.00 0.00 O ATOM 1158 CB VAL A 153 2.713 2.343 1.345 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.626 1.948 2.496 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.418 1.546 1.383 1.00 0.00 C ATOM 0 H VAL A 153 1.163 4.483 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 153 2.377 4.185 2.419 1.00 0.00 H new ATOM 0 HB VAL A 153 3.227 2.114 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 153 3.823 0.877 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.567 2.493 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.144 2.191 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.646 0.480 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 153 0.874 1.779 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.805 1.807 0.521 1.00 0.00 H new ATOM 1170 N VAL A 154 4.201 5.498 1.375 1.00 0.00 N ATOM 1171 CA VAL A 154 5.295 6.272 0.800 1.00 0.00 C ATOM 1172 C VAL A 154 6.619 5.527 0.929 1.00 0.00 C ATOM 1173 O VAL A 154 7.011 5.122 2.023 1.00 0.00 O ATOM 1174 CB VAL A 154 5.423 7.651 1.474 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.058 8.306 1.617 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.105 7.524 2.828 1.00 0.00 C ATOM 0 H VAL A 154 4.000 5.711 2.352 1.00 0.00 H new ATOM 0 HA VAL A 154 5.063 6.415 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 154 6.041 8.287 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.170 9.279 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.611 8.435 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.413 7.674 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.186 8.509 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.517 6.870 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.101 7.102 2.695 1.00 0.00 H new ATOM 1186 N ILE A 155 7.304 5.351 -0.196 1.00 0.00 N ATOM 1187 CA ILE A 155 8.583 4.654 -0.210 1.00 0.00 C ATOM 1188 C ILE A 155 9.738 5.628 -0.408 1.00 0.00 C ATOM 1189 O ILE A 155 9.647 6.563 -1.204 1.00 0.00 O ATOM 1190 CB ILE A 155 8.629 3.589 -1.321 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.348 2.752 -1.308 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.852 2.699 -1.154 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.444 3.013 -2.493 1.00 0.00 C ATOM 0 H ILE A 155 6.994 5.682 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 155 8.687 4.164 0.758 1.00 0.00 H new ATOM 0 HB ILE A 155 8.702 4.094 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.614 1.695 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.798 2.958 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 155 9.869 1.952 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.755 3.307 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.809 2.200 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.556 2.386 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.148 4.062 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 155 6.976 2.780 -3.415 1.00 0.00 H new ATOM 1205 N GLU A 156 10.826 5.403 0.322 1.00 0.00 N ATOM 1206 CA GLU A 156 12.001 6.261 0.228 1.00 0.00 C ATOM 1207 C GLU A 156 13.222 5.464 -0.221 1.00 0.00 C ATOM 1208 O GLU A 156 13.951 4.957 0.656 1.00 0.00 O ATOM 1209 CB GLU A 156 12.282 6.929 1.575 1.00 0.00 C ATOM 1210 CG GLU A 156 13.620 7.647 1.631 1.00 0.00 C ATOM 1211 CD GLU A 156 13.645 8.752 2.669 1.00 0.00 C ATOM 1212 OE1 GLU A 156 13.253 9.889 2.336 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.057 8.479 3.816 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.437 5.353 -1.446 1.00 0.00 O ATOM 0 H GLU A 156 10.918 4.633 0.985 1.00 0.00 H new ATOM 0 HA GLU A 156 11.797 7.031 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.487 7.643 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.252 6.173 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.406 6.926 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.843 8.069 0.651 1.00 0.00 H new