USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 303 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 Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.181 K(o=-0.18,f=-3.2!) USER MOD Single : A 105 THR OG1 : rot -82:sc= 1.29 USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 1.69 (180deg=1.6) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 109 THR OG1 : rot -51:sc= 0.442 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot -169:sc= 0.0631 USER MOD Single : A 119 LYS NZ :NH3+ -167:sc=-0.00575 (180deg=-0.213) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 2.45 (180deg=1.91) USER MOD Single : A 122 MET CE :methyl -162:sc=-0.00811 (180deg=-0.265) USER MOD Single : A 125 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.04) USER MOD Single : A 127 LYS NZ :NH3+ 129:sc= 1.25 (180deg=-0.0647) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 94 3.032 -0.809 -4.510 1.00 0.00 N ATOM 69 CA ALA A 94 3.810 0.314 -3.975 1.00 0.00 C ATOM 70 C ALA A 94 2.905 1.345 -3.293 1.00 0.00 C ATOM 71 O ALA A 94 3.111 1.647 -2.121 1.00 0.00 O ATOM 72 CB ALA A 94 4.650 0.967 -5.078 1.00 0.00 C ATOM 0 HA ALA A 94 4.488 -0.081 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.219 1.797 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.337 0.231 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.993 1.338 -5.865 1.00 0.00 H new ATOM 78 N LYS A 95 1.918 1.884 -4.034 1.00 0.00 N ATOM 79 CA LYS A 95 0.984 2.905 -3.540 1.00 0.00 C ATOM 80 C LYS A 95 1.687 4.266 -3.476 1.00 0.00 C ATOM 81 O LYS A 95 1.207 5.233 -4.065 1.00 0.00 O ATOM 82 CB LYS A 95 0.389 2.520 -2.172 1.00 0.00 C ATOM 83 CG LYS A 95 -0.214 1.113 -2.237 1.00 0.00 C ATOM 84 CD LYS A 95 -0.812 0.748 -0.878 1.00 0.00 C ATOM 85 CE LYS A 95 -1.374 -0.675 -0.931 1.00 0.00 C ATOM 86 NZ LYS A 95 -1.914 -1.081 0.378 1.00 0.00 N ATOM 0 H LYS A 95 1.748 1.617 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 95 0.150 2.972 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.164 2.557 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.378 3.240 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.984 1.072 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.553 0.390 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.050 0.820 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.601 1.452 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.159 -0.731 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.590 -1.368 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.288 -2.049 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.157 -1.049 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.678 -0.432 0.655 1.00 0.00 H new ATOM 100 N TYR A 96 2.822 4.336 -2.768 1.00 0.00 N ATOM 101 CA TYR A 96 3.592 5.563 -2.644 1.00 0.00 C ATOM 102 C TYR A 96 5.067 5.240 -2.876 1.00 0.00 C ATOM 103 O TYR A 96 5.644 4.398 -2.186 1.00 0.00 O ATOM 104 CB TYR A 96 3.340 6.183 -1.252 1.00 0.00 C ATOM 105 CG TYR A 96 3.045 7.678 -1.261 1.00 0.00 C ATOM 106 CD1 TYR A 96 2.282 8.267 -2.294 1.00 0.00 C ATOM 107 CD2 TYR A 96 3.520 8.479 -0.211 1.00 0.00 C ATOM 108 CE1 TYR A 96 2.025 9.647 -2.278 1.00 0.00 C ATOM 109 CE2 TYR A 96 3.256 9.857 -0.195 1.00 0.00 C ATOM 110 CZ TYR A 96 2.512 10.442 -1.228 1.00 0.00 C ATOM 111 OH TYR A 96 2.257 11.779 -1.210 1.00 0.00 O ATOM 0 H TYR A 96 3.224 3.542 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 96 3.286 6.297 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.502 5.665 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.214 6.003 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.896 7.655 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.092 8.032 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.452 10.098 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.627 10.468 0.615 1.00 0.00 H new ATOM 0 HH TYR A 96 2.665 12.179 -0.414 1.00 0.00 H new ATOM 121 N SER A 97 5.660 5.907 -3.872 1.00 0.00 N ATOM 122 CA SER A 97 7.038 5.678 -4.269 1.00 0.00 C ATOM 123 C SER A 97 8.004 6.364 -3.306 1.00 0.00 C ATOM 124 O SER A 97 7.818 7.529 -2.958 1.00 0.00 O ATOM 125 CB SER A 97 7.235 6.223 -5.686 1.00 0.00 C ATOM 126 OG SER A 97 8.515 5.862 -6.161 1.00 0.00 O ATOM 0 H SER A 97 5.188 6.623 -4.423 1.00 0.00 H new ATOM 0 HA SER A 97 7.246 4.608 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.466 5.827 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.129 7.308 -5.687 1.00 0.00 H new ATOM 0 HG SER A 97 8.637 6.211 -7.069 1.00 0.00 H new ATOM 132 N TYR A 98 9.044 5.629 -2.892 1.00 0.00 N ATOM 133 CA TYR A 98 10.074 6.150 -2.008 1.00 0.00 C ATOM 134 C TYR A 98 11.284 6.525 -2.857 1.00 0.00 C ATOM 135 O TYR A 98 11.747 5.711 -3.648 1.00 0.00 O ATOM 136 CB TYR A 98 10.433 5.073 -0.971 1.00 0.00 C ATOM 137 CG TYR A 98 11.609 5.414 -0.066 1.00 0.00 C ATOM 138 CD1 TYR A 98 11.940 6.752 0.214 1.00 0.00 C ATOM 139 CD2 TYR A 98 12.364 4.376 0.510 1.00 0.00 C ATOM 140 CE1 TYR A 98 13.026 7.049 1.055 1.00 0.00 C ATOM 141 CE2 TYR A 98 13.446 4.676 1.356 1.00 0.00 C ATOM 142 CZ TYR A 98 13.778 6.013 1.625 1.00 0.00 C ATOM 143 OH TYR A 98 14.829 6.306 2.445 1.00 0.00 O ATOM 0 H TYR A 98 9.188 4.657 -3.165 1.00 0.00 H new ATOM 0 HA TYR A 98 9.727 7.035 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.558 4.884 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.656 4.145 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.358 7.553 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.112 3.347 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 98 13.282 8.078 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.022 3.877 1.799 1.00 0.00 H new ATOM 0 HH TYR A 98 15.243 5.474 2.757 1.00 0.00 H new ATOM 153 N VAL A 99 11.783 7.758 -2.692 1.00 0.00 N ATOM 154 CA VAL A 99 12.932 8.243 -3.440 1.00 0.00 C ATOM 155 C VAL A 99 13.973 8.796 -2.469 1.00 0.00 C ATOM 156 O VAL A 99 13.712 9.782 -1.780 1.00 0.00 O ATOM 157 CB VAL A 99 12.473 9.336 -4.421 1.00 0.00 C ATOM 158 CG1 VAL A 99 13.678 9.861 -5.212 1.00 0.00 C ATOM 159 CG2 VAL A 99 11.434 8.763 -5.391 1.00 0.00 C ATOM 0 H VAL A 99 11.397 8.438 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 99 13.381 7.427 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 99 12.025 10.154 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.349 10.635 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.411 10.280 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.131 9.042 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.113 9.542 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.875 7.939 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.573 8.400 -4.829 1.00 0.00 H new ATOM 169 N ASP A 100 15.155 8.162 -2.421 1.00 0.00 N ATOM 170 CA ASP A 100 16.245 8.613 -1.565 1.00 0.00 C ATOM 171 C ASP A 100 17.198 9.479 -2.400 1.00 0.00 C ATOM 172 O ASP A 100 16.756 10.157 -3.328 1.00 0.00 O ATOM 173 CB ASP A 100 16.953 7.396 -0.940 1.00 0.00 C ATOM 174 CG ASP A 100 17.668 6.545 -1.989 1.00 0.00 C ATOM 175 OD1 ASP A 100 16.975 5.718 -2.616 1.00 0.00 O ATOM 176 OD2 ASP A 100 18.893 6.734 -2.138 1.00 0.00 O ATOM 0 H ASP A 100 15.373 7.331 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 100 15.868 9.220 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.675 7.739 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.222 6.783 -0.413 1.00 0.00 H new ATOM 181 N GLU A 101 18.497 9.459 -2.080 1.00 0.00 N ATOM 182 CA GLU A 101 19.487 10.233 -2.816 1.00 0.00 C ATOM 183 C GLU A 101 19.856 9.481 -4.102 1.00 0.00 C ATOM 184 O GLU A 101 21.013 9.115 -4.310 1.00 0.00 O ATOM 185 CB GLU A 101 20.715 10.457 -1.919 1.00 0.00 C ATOM 186 CG GLU A 101 21.588 11.588 -2.479 1.00 0.00 C ATOM 187 CD GLU A 101 20.903 12.943 -2.321 1.00 0.00 C ATOM 188 OE1 GLU A 101 20.775 13.380 -1.156 1.00 0.00 O ATOM 189 OE2 GLU A 101 20.522 13.513 -3.366 1.00 0.00 O ATOM 0 H GLU A 101 18.882 8.910 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 101 19.087 11.208 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 101 20.394 10.704 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 101 21.298 9.538 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.548 11.600 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 101 21.796 11.403 -3.533 1.00 0.00 H new ATOM 196 N ASN A 102 18.855 9.247 -4.961 1.00 0.00 N ATOM 197 CA ASN A 102 19.045 8.527 -6.212 1.00 0.00 C ATOM 198 C ASN A 102 17.832 8.753 -7.116 1.00 0.00 C ATOM 199 O ASN A 102 17.045 9.669 -6.883 1.00 0.00 O ATOM 200 CB ASN A 102 19.237 7.029 -5.914 1.00 0.00 C ATOM 201 CG ASN A 102 17.910 6.340 -5.575 1.00 0.00 C ATOM 202 OD1 ASN A 102 16.962 6.982 -5.129 1.00 0.00 O ATOM 203 ND2 ASN A 102 17.849 5.029 -5.800 1.00 0.00 N ATOM 0 H ASN A 102 17.895 9.554 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 102 19.933 8.895 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 102 19.689 6.542 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 102 19.931 6.910 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.990 4.517 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 102 18.662 4.537 -6.171 1.00 0.00 H new ATOM 210 N GLY A 103 17.674 7.906 -8.143 1.00 0.00 N ATOM 211 CA GLY A 103 16.537 7.990 -9.043 1.00 0.00 C ATOM 212 C GLY A 103 15.260 7.646 -8.282 1.00 0.00 C ATOM 213 O GLY A 103 14.319 8.439 -8.253 1.00 0.00 O ATOM 0 H GLY A 103 18.328 7.155 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.464 8.994 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.670 7.304 -9.880 1.00 0.00 H new ATOM 217 N GLU A 104 15.236 6.458 -7.660 1.00 0.00 N ATOM 218 CA GLU A 104 14.098 6.003 -6.874 1.00 0.00 C ATOM 219 C GLU A 104 14.508 4.782 -6.055 1.00 0.00 C ATOM 220 O GLU A 104 15.299 3.960 -6.518 1.00 0.00 O ATOM 221 CB GLU A 104 12.904 5.687 -7.800 1.00 0.00 C ATOM 222 CG GLU A 104 13.231 4.516 -8.753 1.00 0.00 C ATOM 223 CD GLU A 104 12.868 3.151 -8.156 1.00 0.00 C ATOM 224 OE1 GLU A 104 12.147 3.133 -7.136 1.00 0.00 O ATOM 225 OE2 GLU A 104 13.317 2.139 -8.739 1.00 0.00 O ATOM 0 H GLU A 104 16.008 5.792 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 104 13.783 6.790 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.030 5.437 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.647 6.572 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.692 4.654 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.294 4.533 -8.992 1.00 0.00 H new ATOM 232 N THR A 105 13.971 4.663 -4.835 1.00 0.00 N ATOM 233 CA THR A 105 14.264 3.529 -3.976 1.00 0.00 C ATOM 234 C THR A 105 13.394 2.353 -4.420 1.00 0.00 C ATOM 235 O THR A 105 13.890 1.445 -5.079 1.00 0.00 O ATOM 236 CB THR A 105 14.026 3.897 -2.501 1.00 0.00 C ATOM 237 OG1 THR A 105 14.374 5.245 -2.280 1.00 0.00 O ATOM 238 CG2 THR A 105 14.884 2.998 -1.610 1.00 0.00 C ATOM 0 H THR A 105 13.331 5.344 -4.427 1.00 0.00 H new ATOM 0 HA THR A 105 15.313 3.245 -4.063 1.00 0.00 H new ATOM 0 HB THR A 105 12.972 3.756 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.342 5.315 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 105 14.717 3.257 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.611 1.956 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.936 3.140 -1.856 1.00 0.00 H new ATOM 246 N LYS A 106 12.088 2.385 -4.068 1.00 0.00 N ATOM 247 CA LYS A 106 11.132 1.351 -4.463 1.00 0.00 C ATOM 248 C LYS A 106 9.747 1.679 -3.894 1.00 0.00 C ATOM 249 O LYS A 106 8.820 1.968 -4.650 1.00 0.00 O ATOM 250 CB LYS A 106 11.591 -0.044 -3.983 1.00 0.00 C ATOM 251 CG LYS A 106 10.765 -1.137 -4.683 1.00 0.00 C ATOM 252 CD LYS A 106 11.549 -1.745 -5.865 1.00 0.00 C ATOM 253 CE LYS A 106 11.554 -0.790 -7.073 1.00 0.00 C ATOM 254 NZ LYS A 106 12.760 0.063 -7.088 1.00 0.00 N ATOM 0 H LYS A 106 11.679 3.130 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 106 11.078 1.330 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.650 -0.182 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.473 -0.123 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.510 -1.920 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.826 -0.715 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.574 -1.954 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.102 -2.697 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.506 -1.369 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.664 -0.162 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.705 0.728 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.819 0.596 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.606 -0.533 -7.192 1.00 0.00 H new ATOM 268 N THR A 107 9.605 1.619 -2.562 1.00 0.00 N ATOM 269 CA THR A 107 8.325 1.855 -1.901 1.00 0.00 C ATOM 270 C THR A 107 8.567 2.358 -0.477 1.00 0.00 C ATOM 271 O THR A 107 9.615 2.086 0.104 1.00 0.00 O ATOM 272 CB THR A 107 7.531 0.537 -1.887 1.00 0.00 C ATOM 273 OG1 THR A 107 7.327 0.091 -3.212 1.00 0.00 O ATOM 274 CG2 THR A 107 6.173 0.740 -1.212 1.00 0.00 C ATOM 0 H THR A 107 10.371 1.407 -1.922 1.00 0.00 H new ATOM 0 HA THR A 107 7.754 2.613 -2.437 1.00 0.00 H new ATOM 0 HB THR A 107 8.100 -0.206 -1.329 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.823 -0.749 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.623 -0.201 -1.210 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.323 1.075 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.604 1.491 -1.759 1.00 0.00 H new ATOM 282 N TRP A 108 7.590 3.090 0.082 1.00 0.00 N ATOM 283 CA TRP A 108 7.693 3.615 1.439 1.00 0.00 C ATOM 284 C TRP A 108 7.712 2.465 2.443 1.00 0.00 C ATOM 285 O TRP A 108 8.646 2.356 3.233 1.00 0.00 O ATOM 286 CB TRP A 108 6.509 4.549 1.723 1.00 0.00 C ATOM 287 CG TRP A 108 6.650 5.930 1.163 1.00 0.00 C ATOM 288 CD1 TRP A 108 7.109 6.234 -0.060 1.00 0.00 C ATOM 289 CD2 TRP A 108 6.327 7.213 1.781 1.00 0.00 C ATOM 290 NE1 TRP A 108 7.107 7.588 -0.268 1.00 0.00 N ATOM 291 CE2 TRP A 108 6.631 8.253 0.844 1.00 0.00 C ATOM 292 CE3 TRP A 108 5.804 7.615 3.033 1.00 0.00 C ATOM 293 CZ2 TRP A 108 6.428 9.603 1.131 1.00 0.00 C ATOM 294 CZ3 TRP A 108 5.598 8.981 3.326 1.00 0.00 C ATOM 295 CH2 TRP A 108 5.909 9.970 2.376 1.00 0.00 C ATOM 0 H TRP A 108 6.719 3.328 -0.393 1.00 0.00 H new ATOM 0 HA TRP A 108 8.621 4.179 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 108 5.603 4.098 1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 108 6.373 4.622 2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 108 7.438 5.506 -0.787 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.415 8.043 -1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 108 5.559 6.868 3.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.670 10.358 0.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 5.198 9.268 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.747 11.012 2.608 1.00 0.00 H new ATOM 306 N THR A 109 6.664 1.616 2.399 1.00 0.00 N ATOM 307 CA THR A 109 6.508 0.471 3.307 1.00 0.00 C ATOM 308 C THR A 109 6.992 0.834 4.725 1.00 0.00 C ATOM 309 O THR A 109 7.774 0.108 5.339 1.00 0.00 O ATOM 310 CB THR A 109 7.227 -0.770 2.722 1.00 0.00 C ATOM 311 OG1 THR A 109 7.052 -1.873 3.588 1.00 0.00 O ATOM 312 CG2 THR A 109 8.729 -0.516 2.521 1.00 0.00 C ATOM 0 H THR A 109 5.901 1.710 1.728 1.00 0.00 H new ATOM 0 HA THR A 109 5.452 0.216 3.397 1.00 0.00 H new ATOM 0 HB THR A 109 6.786 -0.981 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.299 -1.615 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 109 9.197 -1.410 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 109 8.868 0.317 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.189 -0.274 3.479 1.00 0.00 H new ATOM 320 N GLY A 110 6.506 1.973 5.240 1.00 0.00 N ATOM 321 CA GLY A 110 6.878 2.449 6.560 1.00 0.00 C ATOM 322 C GLY A 110 6.163 1.645 7.637 1.00 0.00 C ATOM 323 O GLY A 110 5.197 2.125 8.228 1.00 0.00 O ATOM 0 H GLY A 110 5.849 2.579 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 110 7.957 2.367 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.625 3.505 6.657 1.00 0.00 H new ATOM 327 N GLN A 111 6.645 0.423 7.895 1.00 0.00 N ATOM 328 CA GLN A 111 6.064 -0.448 8.908 1.00 0.00 C ATOM 329 C GLN A 111 6.020 0.279 10.253 1.00 0.00 C ATOM 330 O GLN A 111 4.978 0.316 10.905 1.00 0.00 O ATOM 331 CB GLN A 111 6.893 -1.733 9.002 1.00 0.00 C ATOM 332 CG GLN A 111 6.207 -2.727 9.945 1.00 0.00 C ATOM 333 CD GLN A 111 6.982 -4.039 10.010 1.00 0.00 C ATOM 334 OE1 GLN A 111 7.616 -4.338 11.017 1.00 0.00 O ATOM 335 NE2 GLN A 111 6.932 -4.821 8.932 1.00 0.00 N ATOM 0 H GLN A 111 7.444 0.018 7.407 1.00 0.00 H new ATOM 0 HA GLN A 111 5.043 -0.711 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.007 -2.176 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 111 7.895 -1.504 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 111 6.131 -2.295 10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 111 5.190 -2.917 9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.392 -4.532 8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.434 -5.709 8.922 1.00 0.00 H new ATOM 344 N GLY A 112 7.155 0.860 10.663 1.00 0.00 N ATOM 345 CA GLY A 112 7.235 1.601 11.911 1.00 0.00 C ATOM 346 C GLY A 112 6.516 2.938 11.756 1.00 0.00 C ATOM 347 O GLY A 112 5.425 3.123 12.287 1.00 0.00 O ATOM 0 H GLY A 112 8.030 0.826 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.783 1.024 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.278 1.766 12.182 1.00 0.00 H new ATOM 351 N ARG A 113 7.138 3.866 11.018 1.00 0.00 N ATOM 352 CA ARG A 113 6.550 5.178 10.762 1.00 0.00 C ATOM 353 C ARG A 113 7.213 5.838 9.548 1.00 0.00 C ATOM 354 O ARG A 113 7.076 7.043 9.354 1.00 0.00 O ATOM 355 CB ARG A 113 6.686 6.058 12.014 1.00 0.00 C ATOM 356 CG ARG A 113 8.166 6.216 12.394 1.00 0.00 C ATOM 357 CD ARG A 113 8.301 7.138 13.611 1.00 0.00 C ATOM 358 NE ARG A 113 7.709 6.525 14.815 1.00 0.00 N ATOM 359 CZ ARG A 113 6.478 6.821 15.285 1.00 0.00 C ATOM 360 NH1 ARG A 113 5.671 7.661 14.619 1.00 0.00 N ATOM 361 NH2 ARG A 113 6.055 6.267 16.428 1.00 0.00 N ATOM 0 H ARG A 113 8.052 3.727 10.588 1.00 0.00 H new ATOM 0 HA ARG A 113 5.491 5.058 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.244 7.037 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.136 5.612 12.843 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.598 5.241 12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.724 6.627 11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.354 7.355 13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.810 8.089 13.406 1.00 0.00 H new ATOM 0 HE ARG A 113 8.263 5.836 15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.985 8.085 13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.744 7.876 14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 113 6.661 5.625 16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.126 6.487 16.788 1.00 0.00 H new ATOM 375 N THR A 114 7.922 5.033 8.737 1.00 0.00 N ATOM 376 CA THR A 114 8.620 5.502 7.538 1.00 0.00 C ATOM 377 C THR A 114 9.809 6.418 7.921 1.00 0.00 C ATOM 378 O THR A 114 9.726 7.173 8.891 1.00 0.00 O ATOM 379 CB THR A 114 7.613 6.190 6.580 1.00 0.00 C ATOM 380 OG1 THR A 114 7.679 5.564 5.317 1.00 0.00 O ATOM 381 CG2 THR A 114 7.921 7.681 6.407 1.00 0.00 C ATOM 0 H THR A 114 8.024 4.031 8.901 1.00 0.00 H new ATOM 0 HA THR A 114 9.046 4.652 7.005 1.00 0.00 H new ATOM 0 HB THR A 114 6.617 6.095 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.177 6.093 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.193 8.127 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.867 8.178 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.923 7.800 5.994 1.00 0.00 H new ATOM 389 N PRO A 115 10.927 6.348 7.160 1.00 0.00 N ATOM 390 CA PRO A 115 12.107 7.161 7.417 1.00 0.00 C ATOM 391 C PRO A 115 11.795 8.659 7.284 1.00 0.00 C ATOM 392 O PRO A 115 10.761 9.041 6.744 1.00 0.00 O ATOM 393 CB PRO A 115 13.152 6.721 6.385 1.00 0.00 C ATOM 394 CG PRO A 115 12.472 5.702 5.462 1.00 0.00 C ATOM 395 CD PRO A 115 11.074 5.453 6.027 1.00 0.00 C ATOM 0 HA PRO A 115 12.468 7.020 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 115 13.514 7.576 5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 115 14.017 6.277 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 115 12.414 6.083 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.043 4.775 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 115 10.310 5.649 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 115 10.959 4.414 6.335 1.00 0.00 H new ATOM 403 N ALA A 116 12.706 9.507 7.779 1.00 0.00 N ATOM 404 CA ALA A 116 12.537 10.957 7.720 1.00 0.00 C ATOM 405 C ALA A 116 13.008 11.506 6.366 1.00 0.00 C ATOM 406 O ALA A 116 12.849 12.696 6.089 1.00 0.00 O ATOM 407 CB ALA A 116 13.329 11.597 8.861 1.00 0.00 C ATOM 0 H ALA A 116 13.572 9.207 8.227 1.00 0.00 H new ATOM 0 HA ALA A 116 11.480 11.200 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.209 12.680 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.959 11.222 9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 116 14.384 11.346 8.757 1.00 0.00 H new ATOM 413 N VAL A 117 13.592 10.644 5.524 1.00 0.00 N ATOM 414 CA VAL A 117 14.089 11.050 4.216 1.00 0.00 C ATOM 415 C VAL A 117 12.948 11.628 3.377 1.00 0.00 C ATOM 416 O VAL A 117 13.086 12.704 2.797 1.00 0.00 O ATOM 417 CB VAL A 117 14.725 9.837 3.517 1.00 0.00 C ATOM 418 CG1 VAL A 117 15.197 10.233 2.113 1.00 0.00 C ATOM 419 CG2 VAL A 117 15.926 9.343 4.331 1.00 0.00 C ATOM 0 H VAL A 117 13.730 9.655 5.733 1.00 0.00 H new ATOM 0 HA VAL A 117 14.846 11.825 4.334 1.00 0.00 H new ATOM 0 HB VAL A 117 13.982 9.043 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 117 15.647 9.369 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 117 14.346 10.580 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 117 15.935 11.032 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 117 16.374 8.483 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 117 16.664 10.141 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 117 15.595 9.053 5.328 1.00 0.00 H new ATOM 429 N ILE A 118 11.820 10.909 3.313 1.00 0.00 N ATOM 430 CA ILE A 118 10.672 11.344 2.525 1.00 0.00 C ATOM 431 C ILE A 118 10.049 12.595 3.137 1.00 0.00 C ATOM 432 O ILE A 118 9.525 13.433 2.410 1.00 0.00 O ATOM 433 CB ILE A 118 9.620 10.223 2.395 1.00 0.00 C ATOM 434 CG1 ILE A 118 9.571 9.344 3.665 1.00 0.00 C ATOM 435 CG2 ILE A 118 9.936 9.378 1.159 1.00 0.00 C ATOM 436 CD1 ILE A 118 10.511 8.133 3.548 1.00 0.00 C ATOM 0 H ILE A 118 11.683 10.023 3.800 1.00 0.00 H new ATOM 0 HA ILE A 118 11.027 11.584 1.523 1.00 0.00 H new ATOM 0 HB ILE A 118 8.635 10.676 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.851 9.941 4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.550 8.999 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.196 8.584 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.910 10.009 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.928 8.938 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.451 7.537 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.214 7.523 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.535 8.479 3.408 1.00 0.00 H new ATOM 448 N LYS A 119 10.103 12.732 4.467 1.00 0.00 N ATOM 449 CA LYS A 119 9.548 13.901 5.129 1.00 0.00 C ATOM 450 C LYS A 119 10.285 15.146 4.641 1.00 0.00 C ATOM 451 O LYS A 119 9.652 16.128 4.256 1.00 0.00 O ATOM 452 CB LYS A 119 9.662 13.739 6.655 1.00 0.00 C ATOM 453 CG LYS A 119 9.288 15.047 7.378 1.00 0.00 C ATOM 454 CD LYS A 119 7.828 15.424 7.082 1.00 0.00 C ATOM 455 CE LYS A 119 7.475 16.741 7.787 1.00 0.00 C ATOM 456 NZ LYS A 119 7.511 16.593 9.254 1.00 0.00 N ATOM 0 H LYS A 119 10.524 12.048 5.096 1.00 0.00 H new ATOM 0 HA LYS A 119 8.491 14.007 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.007 12.934 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.680 13.452 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.429 14.929 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.950 15.850 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.681 15.526 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.162 14.630 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.175 17.518 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.482 17.067 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.061 17.419 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.998 15.731 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.499 16.524 9.572 1.00 0.00 H new ATOM 470 N LYS A 120 11.624 15.104 4.651 1.00 0.00 N ATOM 471 CA LYS A 120 12.427 16.226 4.196 1.00 0.00 C ATOM 472 C LYS A 120 12.229 16.425 2.689 1.00 0.00 C ATOM 473 O LYS A 120 12.095 17.556 2.222 1.00 0.00 O ATOM 474 CB LYS A 120 13.907 15.976 4.538 1.00 0.00 C ATOM 475 CG LYS A 120 14.818 16.986 3.814 1.00 0.00 C ATOM 476 CD LYS A 120 14.460 18.429 4.211 1.00 0.00 C ATOM 477 CE LYS A 120 15.187 19.410 3.289 1.00 0.00 C ATOM 478 NZ LYS A 120 14.629 20.769 3.413 1.00 0.00 N ATOM 0 H LYS A 120 12.166 14.301 4.971 1.00 0.00 H new ATOM 0 HA LYS A 120 12.110 17.137 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.054 16.055 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.184 14.961 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 120 15.860 16.784 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.717 16.865 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.383 18.579 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.741 18.612 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.249 19.426 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.104 19.072 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.032 21.379 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.595 20.731 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.865 21.157 4.348 1.00 0.00 H new ATOM 492 N ALA A 121 12.210 15.323 1.928 1.00 0.00 N ATOM 493 CA ALA A 121 12.028 15.387 0.487 1.00 0.00 C ATOM 494 C ALA A 121 10.724 16.114 0.155 1.00 0.00 C ATOM 495 O ALA A 121 10.696 16.947 -0.740 1.00 0.00 O ATOM 496 CB ALA A 121 12.019 13.973 -0.092 1.00 0.00 C ATOM 0 H ALA A 121 12.319 14.378 2.295 1.00 0.00 H new ATOM 0 HA ALA A 121 12.853 15.943 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.882 14.023 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.966 13.482 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 121 11.202 13.404 0.351 1.00 0.00 H new ATOM 502 N MET A 122 9.649 15.793 0.885 1.00 0.00 N ATOM 503 CA MET A 122 8.351 16.416 0.668 1.00 0.00 C ATOM 504 C MET A 122 8.398 17.880 1.104 1.00 0.00 C ATOM 505 O MET A 122 7.904 18.752 0.395 1.00 0.00 O ATOM 506 CB MET A 122 7.287 15.632 1.450 1.00 0.00 C ATOM 507 CG MET A 122 5.883 16.147 1.103 1.00 0.00 C ATOM 508 SD MET A 122 5.355 17.601 2.053 1.00 0.00 S ATOM 509 CE MET A 122 5.111 16.831 3.673 1.00 0.00 C ATOM 0 H MET A 122 9.660 15.101 1.634 1.00 0.00 H new ATOM 0 HA MET A 122 8.094 16.394 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.361 14.570 1.214 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.465 15.733 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.852 16.392 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.165 15.343 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.493 17.479 4.295 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.615 15.869 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 122 6.078 16.681 4.154 1.00 0.00 H new ATOM 519 N ASP A 123 8.995 18.142 2.274 1.00 0.00 N ATOM 520 CA ASP A 123 9.119 19.496 2.805 1.00 0.00 C ATOM 521 C ASP A 123 9.715 20.428 1.746 1.00 0.00 C ATOM 522 O ASP A 123 9.174 21.501 1.489 1.00 0.00 O ATOM 523 CB ASP A 123 9.999 19.456 4.066 1.00 0.00 C ATOM 524 CG ASP A 123 10.726 20.779 4.288 1.00 0.00 C ATOM 525 OD1 ASP A 123 10.064 21.716 4.777 1.00 0.00 O ATOM 526 OD2 ASP A 123 11.939 20.823 3.966 1.00 0.00 O ATOM 0 H ASP A 123 9.402 17.423 2.872 1.00 0.00 H new ATOM 0 HA ASP A 123 8.135 19.883 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 123 9.380 19.230 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.728 18.651 3.976 1.00 0.00 H new ATOM 531 N GLU A 124 10.831 20.014 1.139 1.00 0.00 N ATOM 532 CA GLU A 124 11.509 20.820 0.137 1.00 0.00 C ATOM 533 C GLU A 124 10.819 20.669 -1.223 1.00 0.00 C ATOM 534 O GLU A 124 10.303 21.644 -1.769 1.00 0.00 O ATOM 535 CB GLU A 124 12.981 20.392 0.077 1.00 0.00 C ATOM 536 CG GLU A 124 13.834 21.515 -0.514 1.00 0.00 C ATOM 537 CD GLU A 124 15.301 21.322 -0.151 1.00 0.00 C ATOM 538 OE1 GLU A 124 15.631 21.586 1.028 1.00 0.00 O ATOM 539 OE2 GLU A 124 16.062 20.911 -1.052 1.00 0.00 O ATOM 0 H GLU A 124 11.281 19.119 1.330 1.00 0.00 H new ATOM 0 HA GLU A 124 11.460 21.875 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.336 20.144 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.081 19.492 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.721 21.533 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.485 22.478 -0.142 1.00 0.00 H new ATOM 546 N GLN A 125 10.814 19.446 -1.767 1.00 0.00 N ATOM 547 CA GLN A 125 10.204 19.165 -3.058 1.00 0.00 C ATOM 548 C GLN A 125 8.791 18.615 -2.842 1.00 0.00 C ATOM 549 O GLN A 125 8.555 17.416 -2.981 1.00 0.00 O ATOM 550 CB GLN A 125 11.089 18.160 -3.817 1.00 0.00 C ATOM 551 CG GLN A 125 10.616 18.010 -5.269 1.00 0.00 C ATOM 552 CD GLN A 125 11.092 19.178 -6.131 1.00 0.00 C ATOM 553 OE1 GLN A 125 12.150 19.103 -6.747 1.00 0.00 O ATOM 554 NE2 GLN A 125 10.306 20.254 -6.181 1.00 0.00 N ATOM 0 H GLN A 125 11.233 18.630 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 125 10.124 20.075 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 125 12.126 18.495 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 125 11.059 17.192 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 125 10.992 17.074 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 125 9.528 17.955 -5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 125 9.434 20.274 -5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 125 10.577 21.057 -6.748 1.00 0.00 H new ATOM 563 N GLY A 126 7.852 19.503 -2.497 1.00 0.00 N ATOM 564 CA GLY A 126 6.472 19.113 -2.243 1.00 0.00 C ATOM 565 C GLY A 126 5.684 19.011 -3.546 1.00 0.00 C ATOM 566 O GLY A 126 5.029 17.998 -3.796 1.00 0.00 O ATOM 0 H GLY A 126 8.030 20.501 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 126 6.451 18.154 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.000 19.842 -1.584 1.00 0.00 H new ATOM 570 N LYS A 127 5.741 20.070 -4.372 1.00 0.00 N ATOM 571 CA LYS A 127 5.007 20.122 -5.633 1.00 0.00 C ATOM 572 C LYS A 127 3.531 19.802 -5.374 1.00 0.00 C ATOM 573 O LYS A 127 2.892 20.468 -4.559 1.00 0.00 O ATOM 574 CB LYS A 127 5.620 19.138 -6.642 1.00 0.00 C ATOM 575 CG LYS A 127 7.103 19.456 -6.859 1.00 0.00 C ATOM 576 CD LYS A 127 7.591 18.783 -8.149 1.00 0.00 C ATOM 577 CE LYS A 127 7.743 17.271 -7.935 1.00 0.00 C ATOM 578 NZ LYS A 127 7.713 16.552 -9.221 1.00 0.00 N ATOM 0 H LYS A 127 6.295 20.905 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 127 5.077 21.123 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.509 18.117 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.085 19.198 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.249 20.534 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.689 19.104 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.884 18.974 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.546 19.212 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.682 17.065 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.941 16.908 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.533 15.915 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.837 15.996 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.748 17.237 -10.003 1.00 0.00 H new ATOM 592 N SER A 128 2.998 18.779 -6.058 1.00 0.00 N ATOM 593 CA SER A 128 1.620 18.349 -5.878 1.00 0.00 C ATOM 594 C SER A 128 1.610 16.875 -5.484 1.00 0.00 C ATOM 595 O SER A 128 0.676 16.148 -5.822 1.00 0.00 O ATOM 596 CB SER A 128 0.848 18.571 -7.182 1.00 0.00 C ATOM 597 OG SER A 128 0.916 19.934 -7.547 1.00 0.00 O ATOM 0 H SER A 128 3.515 18.233 -6.747 1.00 0.00 H new ATOM 0 HA SER A 128 1.139 18.927 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 128 1.267 17.951 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 128 -0.192 18.269 -7.057 1.00 0.00 H new ATOM 0 HG SER A 128 0.423 20.074 -8.382 1.00 0.00 H new ATOM 603 N LEU A 129 2.668 16.439 -4.771 1.00 0.00 N ATOM 604 CA LEU A 129 2.822 15.050 -4.341 1.00 0.00 C ATOM 605 C LEU A 129 2.787 14.122 -5.568 1.00 0.00 C ATOM 606 O LEU A 129 2.523 12.928 -5.438 1.00 0.00 O ATOM 607 CB LEU A 129 1.711 14.667 -3.334 1.00 0.00 C ATOM 608 CG LEU A 129 1.830 15.445 -1.997 1.00 0.00 C ATOM 609 CD1 LEU A 129 3.250 15.342 -1.429 1.00 0.00 C ATOM 610 CD2 LEU A 129 1.454 16.921 -2.183 1.00 0.00 C ATOM 0 H LEU A 129 3.435 17.046 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 129 3.783 14.937 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.736 14.864 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 129 1.759 13.597 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 129 1.133 14.992 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.308 15.895 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.494 14.295 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 129 3.959 15.762 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.546 17.443 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 129 2.122 17.378 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.426 16.993 -2.538 1.00 0.00 H new ATOM 622 N ASP A 130 3.055 14.684 -6.755 1.00 0.00 N ATOM 623 CA ASP A 130 3.019 13.946 -8.009 1.00 0.00 C ATOM 624 C ASP A 130 4.195 12.975 -8.103 1.00 0.00 C ATOM 625 O ASP A 130 4.063 11.904 -8.691 1.00 0.00 O ATOM 626 CB ASP A 130 3.046 14.947 -9.173 1.00 0.00 C ATOM 627 CG ASP A 130 4.155 15.984 -8.993 1.00 0.00 C ATOM 628 OD1 ASP A 130 3.972 16.866 -8.121 1.00 0.00 O ATOM 629 OD2 ASP A 130 5.163 15.877 -9.726 1.00 0.00 O ATOM 0 H ASP A 130 3.303 15.667 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 130 2.104 13.356 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 130 3.195 14.412 -10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.082 15.451 -9.243 1.00 0.00 H new ATOM 634 N ASP A 131 5.340 13.348 -7.530 1.00 0.00 N ATOM 635 CA ASP A 131 6.532 12.516 -7.569 1.00 0.00 C ATOM 636 C ASP A 131 6.353 11.286 -6.675 1.00 0.00 C ATOM 637 O ASP A 131 6.746 10.184 -7.054 1.00 0.00 O ATOM 638 CB ASP A 131 7.746 13.345 -7.131 1.00 0.00 C ATOM 639 CG ASP A 131 7.586 13.879 -5.709 1.00 0.00 C ATOM 640 OD1 ASP A 131 6.559 14.550 -5.462 1.00 0.00 O ATOM 641 OD2 ASP A 131 8.497 13.608 -4.901 1.00 0.00 O ATOM 0 H ASP A 131 5.462 14.229 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 131 6.697 12.165 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 131 8.645 12.732 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.884 14.179 -7.819 1.00 0.00 H new ATOM 646 N PHE A 132 5.763 11.474 -5.489 1.00 0.00 N ATOM 647 CA PHE A 132 5.556 10.380 -4.552 1.00 0.00 C ATOM 648 C PHE A 132 4.446 9.452 -5.046 1.00 0.00 C ATOM 649 O PHE A 132 4.585 8.234 -4.963 1.00 0.00 O ATOM 650 CB PHE A 132 5.223 10.945 -3.172 1.00 0.00 C ATOM 651 CG PHE A 132 6.324 11.817 -2.609 1.00 0.00 C ATOM 652 CD1 PHE A 132 7.521 11.235 -2.150 1.00 0.00 C ATOM 653 CD2 PHE A 132 6.161 13.211 -2.558 1.00 0.00 C ATOM 654 CE1 PHE A 132 8.547 12.048 -1.640 1.00 0.00 C ATOM 655 CE2 PHE A 132 7.187 14.023 -2.048 1.00 0.00 C ATOM 656 CZ PHE A 132 8.380 13.442 -1.589 1.00 0.00 C ATOM 0 H PHE A 132 5.422 12.378 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 132 6.471 9.793 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 132 4.303 11.526 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 132 5.032 10.121 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 132 7.650 10.164 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 132 5.244 13.660 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 132 9.465 11.601 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 132 7.058 15.095 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 132 9.169 14.067 -1.197 1.00 0.00 H new ATOM 666 N LEU A 133 3.344 10.015 -5.559 1.00 0.00 N ATOM 667 CA LEU A 133 2.241 9.205 -6.064 1.00 0.00 C ATOM 668 C LEU A 133 2.729 8.398 -7.271 1.00 0.00 C ATOM 669 O LEU A 133 3.056 8.968 -8.310 1.00 0.00 O ATOM 670 CB LEU A 133 1.062 10.123 -6.443 1.00 0.00 C ATOM 671 CG LEU A 133 -0.297 9.396 -6.310 1.00 0.00 C ATOM 672 CD1 LEU A 133 -0.252 8.021 -6.984 1.00 0.00 C ATOM 673 CD2 LEU A 133 -0.669 9.232 -4.833 1.00 0.00 C ATOM 0 H LEU A 133 3.198 11.022 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 133 1.896 8.510 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 133 1.067 11.005 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.188 10.473 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.053 10.004 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -1.220 7.531 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.023 8.142 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 133 0.518 7.410 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.627 8.719 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 133 0.099 8.646 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -0.743 10.214 -4.365 1.00 0.00 H new