USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 10 HIS : no HD1:sc= -0.0181 X(o=0.36,f=0.18) USER MOD Set 1.2: A 12 SER OG : rot 45:sc= 0.377 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A 7 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.011) USER MOD Single : A 8 HIS : no HD1:sc= 0.00712 K(o=0.0071,f=-1.4!) USER MOD Single : A 9 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -80:sc= -0.175 USER MOD Single : A 48 MET CE :methyl 139:sc= -2.26 (180deg=-3.02) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= -0.173 (180deg=-1.33!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0389 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 69 ASN :FLIP amide:sc= -5.64! C(o=-9.9!,f=-5.6!) USER MOD Single : A 76 ASN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -110:sc= -2.16! USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.76 USER MOD Single : A 85 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.037) USER MOD Single : A 86 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.41) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0651) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -12.948 -17.851 -20.222 1.00 0.00 N ATOM 67 CA HIS A 6 -13.782 -17.076 -19.309 1.00 0.00 C ATOM 68 C HIS A 6 -14.958 -16.449 -20.050 1.00 0.00 C ATOM 69 O HIS A 6 -14.986 -16.421 -21.280 1.00 0.00 O ATOM 70 CB HIS A 6 -12.956 -15.984 -18.625 1.00 0.00 C ATOM 71 CG HIS A 6 -11.824 -15.473 -19.461 1.00 0.00 C ATOM 72 ND1 HIS A 6 -10.525 -15.854 -19.220 1.00 0.00 N ATOM 73 CD2 HIS A 6 -11.847 -14.620 -20.515 1.00 0.00 C ATOM 74 CE1 HIS A 6 -9.791 -15.230 -20.125 1.00 0.00 C ATOM 75 NE2 HIS A 6 -10.549 -14.473 -20.930 1.00 0.00 N ATOM 0 HA HIS A 6 -14.170 -17.754 -18.549 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.612 -15.152 -18.369 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.557 -16.375 -17.689 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.719 -14.148 -20.944 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.718 -15.319 -20.205 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.222 -13.896 -21.705 1.00 0.00 H new ATOM 83 N HIS A 7 -15.930 -15.950 -19.292 1.00 0.00 N ATOM 84 CA HIS A 7 -17.110 -15.325 -19.878 1.00 0.00 C ATOM 85 C HIS A 7 -17.025 -13.805 -19.787 1.00 0.00 C ATOM 86 O HIS A 7 -16.790 -13.249 -18.714 1.00 0.00 O ATOM 87 CB HIS A 7 -18.375 -15.819 -19.172 1.00 0.00 C ATOM 88 CG HIS A 7 -19.447 -16.277 -20.112 1.00 0.00 C ATOM 89 ND1 HIS A 7 -20.184 -17.410 -19.860 1.00 0.00 N ATOM 90 CD2 HIS A 7 -19.868 -15.726 -21.279 1.00 0.00 C ATOM 91 CE1 HIS A 7 -21.028 -17.526 -20.870 1.00 0.00 C ATOM 92 NE2 HIS A 7 -20.872 -16.528 -21.753 1.00 0.00 N ATOM 0 H HIS A 7 -15.923 -15.966 -18.272 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.154 -15.605 -20.931 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.112 -16.641 -18.506 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.769 -15.017 -18.548 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.485 -14.829 -21.744 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.751 -18.322 -20.972 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.401 -16.392 -22.614 1.00 0.00 H new ATOM 100 N HIS A 8 -17.221 -13.138 -20.920 1.00 0.00 N ATOM 101 CA HIS A 8 -17.170 -11.682 -20.969 1.00 0.00 C ATOM 102 C HIS A 8 -18.476 -11.077 -20.465 1.00 0.00 C ATOM 103 O HIS A 8 -19.474 -11.042 -21.185 1.00 0.00 O ATOM 104 CB HIS A 8 -16.890 -11.207 -22.396 1.00 0.00 C ATOM 105 CG HIS A 8 -16.148 -9.909 -22.458 1.00 0.00 C ATOM 106 ND1 HIS A 8 -16.665 -8.761 -21.906 1.00 0.00 N ATOM 107 CD2 HIS A 8 -14.942 -9.631 -23.013 1.00 0.00 C ATOM 108 CE1 HIS A 8 -15.770 -7.816 -22.134 1.00 0.00 C ATOM 109 NE2 HIS A 8 -14.711 -8.297 -22.801 1.00 0.00 N ATOM 0 H HIS A 8 -17.417 -13.583 -21.817 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.361 -11.349 -20.319 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.314 -11.971 -22.918 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -17.836 -11.102 -22.928 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.291 -10.326 -23.523 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.878 -6.787 -21.823 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.889 -7.770 -23.095 1.00 0.00 H new ATOM 117 N HIS A 9 -18.462 -10.605 -19.223 1.00 0.00 N ATOM 118 CA HIS A 9 -19.646 -10.007 -18.619 1.00 0.00 C ATOM 119 C HIS A 9 -19.414 -8.531 -18.311 1.00 0.00 C ATOM 120 O HIS A 9 -19.932 -8.003 -17.326 1.00 0.00 O ATOM 121 CB HIS A 9 -20.022 -10.756 -17.339 1.00 0.00 C ATOM 122 CG HIS A 9 -21.401 -11.338 -17.367 1.00 0.00 C ATOM 123 ND1 HIS A 9 -21.624 -12.664 -17.079 1.00 0.00 N ATOM 124 CD2 HIS A 9 -22.585 -10.740 -17.650 1.00 0.00 C ATOM 125 CE1 HIS A 9 -22.928 -12.845 -17.192 1.00 0.00 C ATOM 126 NE2 HIS A 9 -23.550 -11.707 -17.537 1.00 0.00 N ATOM 0 H HIS A 9 -17.643 -10.625 -18.615 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.467 -10.084 -19.332 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.302 -11.557 -17.172 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.942 -10.074 -16.492 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.738 -9.704 -17.913 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.429 -13.788 -17.028 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.551 -11.585 -17.687 1.00 0.00 H new ATOM 134 N HIS A 10 -18.633 -7.869 -19.160 1.00 0.00 N ATOM 135 CA HIS A 10 -18.335 -6.453 -18.979 1.00 0.00 C ATOM 136 C HIS A 10 -19.061 -5.607 -20.020 1.00 0.00 C ATOM 137 O HIS A 10 -18.574 -5.428 -21.136 1.00 0.00 O ATOM 138 CB HIS A 10 -16.827 -6.212 -19.068 1.00 0.00 C ATOM 139 CG HIS A 10 -16.287 -5.379 -17.948 1.00 0.00 C ATOM 140 ND1 HIS A 10 -16.923 -4.232 -17.536 1.00 0.00 N ATOM 141 CD2 HIS A 10 -15.178 -5.567 -17.191 1.00 0.00 C ATOM 142 CE1 HIS A 10 -16.194 -3.750 -16.546 1.00 0.00 C ATOM 143 NE2 HIS A 10 -15.128 -4.526 -16.302 1.00 0.00 N ATOM 0 H HIS A 10 -18.196 -8.291 -19.979 1.00 0.00 H new ATOM 0 HA HIS A 10 -18.684 -6.157 -17.990 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -16.314 -7.173 -19.075 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -16.601 -5.723 -20.015 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -14.471 -6.380 -17.273 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -16.427 -2.846 -16.002 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.415 -4.371 -15.589 1.00 0.00 H new ATOM 151 N SER A 11 -20.228 -5.092 -19.647 1.00 0.00 N ATOM 152 CA SER A 11 -21.022 -4.265 -20.547 1.00 0.00 C ATOM 153 C SER A 11 -21.073 -2.822 -20.058 1.00 0.00 C ATOM 154 O SER A 11 -21.482 -1.921 -20.792 1.00 0.00 O ATOM 155 CB SER A 11 -22.441 -4.825 -20.668 1.00 0.00 C ATOM 156 OG SER A 11 -22.420 -6.197 -21.021 1.00 0.00 O ATOM 0 H SER A 11 -20.645 -5.233 -18.727 1.00 0.00 H new ATOM 0 HA SER A 11 -20.547 -4.280 -21.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.967 -4.698 -19.722 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.995 -4.262 -21.419 1.00 0.00 H new ATOM 0 HG SER A 11 -23.339 -6.531 -21.090 1.00 0.00 H new ATOM 162 N SER A 12 -20.654 -2.608 -18.814 1.00 0.00 N ATOM 163 CA SER A 12 -20.649 -1.273 -18.226 1.00 0.00 C ATOM 164 C SER A 12 -19.600 -0.390 -18.893 1.00 0.00 C ATOM 165 O SER A 12 -18.398 -0.598 -18.718 1.00 0.00 O ATOM 166 CB SER A 12 -20.380 -1.357 -16.722 1.00 0.00 C ATOM 167 OG SER A 12 -19.207 -2.104 -16.453 1.00 0.00 O ATOM 0 H SER A 12 -20.313 -3.343 -18.194 1.00 0.00 H new ATOM 0 HA SER A 12 -21.630 -0.827 -18.388 1.00 0.00 H new ATOM 0 HB2 SER A 12 -20.277 -0.353 -16.312 1.00 0.00 H new ATOM 0 HB3 SER A 12 -21.231 -1.819 -16.223 1.00 0.00 H new ATOM 0 HG SER A 12 -18.496 -1.829 -17.068 1.00 0.00 H new ATOM 173 N GLY A 13 -20.061 0.593 -19.660 1.00 0.00 N ATOM 174 CA GLY A 13 -19.150 1.492 -20.343 1.00 0.00 C ATOM 175 C GLY A 13 -19.312 2.932 -19.899 1.00 0.00 C ATOM 176 O GLY A 13 -19.443 3.831 -20.728 1.00 0.00 O ATOM 0 H GLY A 13 -21.050 0.783 -19.821 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.124 1.172 -20.160 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.318 1.426 -21.418 1.00 0.00 H new ATOM 390 N ASP A 27 1.453 3.629 -4.220 1.00 0.00 N ATOM 391 CA ASP A 27 1.512 3.333 -2.799 1.00 0.00 C ATOM 392 C ASP A 27 0.248 2.608 -2.377 1.00 0.00 C ATOM 393 O ASP A 27 -0.686 3.221 -1.859 1.00 0.00 O ATOM 394 CB ASP A 27 1.694 4.625 -1.999 1.00 0.00 C ATOM 395 CG ASP A 27 2.150 4.372 -0.575 1.00 0.00 C ATOM 396 OD1 ASP A 27 2.699 3.283 -0.312 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.954 5.264 0.277 1.00 0.00 O ATOM 0 HA ASP A 27 2.367 2.687 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.423 5.260 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.752 5.173 -1.983 1.00 0.00 H new ATOM 402 N TYR A 28 0.185 1.311 -2.673 1.00 0.00 N ATOM 403 CA TYR A 28 -1.009 0.533 -2.345 1.00 0.00 C ATOM 404 C TYR A 28 -0.766 -0.337 -1.124 1.00 0.00 C ATOM 405 O TYR A 28 0.284 -0.958 -0.993 1.00 0.00 O ATOM 406 CB TYR A 28 -1.449 -0.322 -3.533 1.00 0.00 C ATOM 407 CG TYR A 28 -2.648 0.233 -4.271 1.00 0.00 C ATOM 408 CD1 TYR A 28 -3.892 0.304 -3.658 1.00 0.00 C ATOM 409 CD2 TYR A 28 -2.534 0.682 -5.581 1.00 0.00 C ATOM 410 CE1 TYR A 28 -4.989 0.810 -4.328 1.00 0.00 C ATOM 411 CE2 TYR A 28 -3.626 1.189 -6.257 1.00 0.00 C ATOM 412 CZ TYR A 28 -4.851 1.251 -5.628 1.00 0.00 C ATOM 413 OH TYR A 28 -5.941 1.756 -6.299 1.00 0.00 O ATOM 0 H TYR A 28 0.930 0.785 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.812 1.233 -2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.616 -0.416 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.684 -1.326 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.004 -0.042 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.576 0.634 -6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.950 0.860 -3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.521 1.536 -7.274 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.674 2.023 -7.203 1.00 0.00 H new ATOM 423 N ARG A 29 -1.739 -0.373 -0.223 1.00 0.00 N ATOM 424 CA ARG A 29 -1.588 -1.116 1.017 1.00 0.00 C ATOM 425 C ARG A 29 -2.350 -2.437 0.999 1.00 0.00 C ATOM 426 O ARG A 29 -3.508 -2.501 0.590 1.00 0.00 O ATOM 427 CB ARG A 29 -2.053 -0.265 2.201 1.00 0.00 C ATOM 428 CG ARG A 29 -3.373 0.449 1.957 1.00 0.00 C ATOM 429 CD ARG A 29 -3.158 1.906 1.579 1.00 0.00 C ATOM 430 NE ARG A 29 -3.959 2.297 0.422 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.813 3.318 0.425 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.978 4.046 1.521 1.00 0.00 N ATOM 433 NH2 ARG A 29 -5.504 3.609 -0.668 1.00 0.00 N ATOM 0 H ARG A 29 -2.636 0.101 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.529 -1.351 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.152 -0.903 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.286 0.475 2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.920 -0.057 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.990 0.392 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.413 2.542 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.103 2.072 1.362 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.858 1.757 -0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.450 3.824 2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.633 4.828 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.382 3.050 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.158 4.392 -0.665 1.00 0.00 H new ATOM 447 N LEU A 30 -1.681 -3.482 1.477 1.00 0.00 N ATOM 448 CA LEU A 30 -2.271 -4.810 1.581 1.00 0.00 C ATOM 449 C LEU A 30 -2.027 -5.363 2.982 1.00 0.00 C ATOM 450 O LEU A 30 -1.094 -6.134 3.201 1.00 0.00 O ATOM 451 CB LEU A 30 -1.669 -5.750 0.525 1.00 0.00 C ATOM 452 CG LEU A 30 -2.532 -6.960 0.138 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.456 -8.037 1.212 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.977 -6.537 -0.096 1.00 0.00 C ATOM 0 H LEU A 30 -0.716 -3.431 1.803 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.344 -4.740 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.464 -5.171 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.710 -6.114 0.894 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.143 -7.375 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.074 -8.886 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.422 -8.363 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.817 -7.634 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.572 -7.409 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.379 -6.095 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.016 -5.804 -0.902 1.00 0.00 H new ATOM 466 N ASP A 31 -2.857 -4.944 3.934 1.00 0.00 N ATOM 467 CA ASP A 31 -2.684 -5.344 5.325 1.00 0.00 C ATOM 468 C ASP A 31 -3.668 -6.436 5.726 1.00 0.00 C ATOM 469 O ASP A 31 -4.627 -6.186 6.457 1.00 0.00 O ATOM 470 CB ASP A 31 -2.850 -4.133 6.249 1.00 0.00 C ATOM 471 CG ASP A 31 -2.706 -2.816 5.512 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.633 -2.581 4.919 1.00 0.00 O ATOM 473 OD2 ASP A 31 -3.667 -2.018 5.529 1.00 0.00 O ATOM 0 H ASP A 31 -3.654 -4.329 3.767 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.676 -5.746 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.830 -4.174 6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.107 -4.183 7.045 1.00 0.00 H new ATOM 478 N MET A 32 -3.442 -7.643 5.215 1.00 0.00 N ATOM 479 CA MET A 32 -4.291 -8.780 5.539 1.00 0.00 C ATOM 480 C MET A 32 -3.454 -10.034 5.808 1.00 0.00 C ATOM 481 O MET A 32 -2.736 -10.118 6.808 1.00 0.00 O ATOM 482 CB MET A 32 -5.292 -9.032 4.407 1.00 0.00 C ATOM 483 CG MET A 32 -6.614 -8.306 4.593 1.00 0.00 C ATOM 484 SD MET A 32 -7.072 -7.318 3.156 1.00 0.00 S ATOM 485 CE MET A 32 -8.742 -7.897 2.864 1.00 0.00 C ATOM 0 H MET A 32 -2.677 -7.857 4.575 1.00 0.00 H new ATOM 0 HA MET A 32 -4.843 -8.546 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.846 -8.721 3.462 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.482 -10.103 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.399 -9.035 4.793 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.549 -7.659 5.468 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.162 -7.377 2.003 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.726 -8.969 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.355 -7.698 3.743 1.00 0.00 H new ATOM 495 N VAL A 33 -3.563 -11.012 4.913 1.00 0.00 N ATOM 496 CA VAL A 33 -2.821 -12.260 5.040 1.00 0.00 C ATOM 497 C VAL A 33 -2.200 -12.657 3.704 1.00 0.00 C ATOM 498 O VAL A 33 -2.865 -12.628 2.668 1.00 0.00 O ATOM 499 CB VAL A 33 -3.726 -13.405 5.536 1.00 0.00 C ATOM 500 CG1 VAL A 33 -2.922 -14.681 5.731 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.432 -13.010 6.824 1.00 0.00 C ATOM 0 H VAL A 33 -4.161 -10.962 4.089 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.032 -12.092 5.773 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.484 -13.595 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.580 -15.476 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.470 -14.975 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.138 -14.508 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.066 -13.831 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.691 -12.788 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.046 -12.127 6.646 1.00 0.00 H new ATOM 511 N GLY A 34 -0.925 -13.032 3.736 1.00 0.00 N ATOM 512 CA GLY A 34 -0.236 -13.431 2.521 1.00 0.00 C ATOM 513 C GLY A 34 -0.919 -14.589 1.819 1.00 0.00 C ATOM 514 O GLY A 34 -0.801 -15.738 2.245 1.00 0.00 O ATOM 0 H GLY A 34 -0.356 -13.067 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.181 -12.580 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.789 -13.711 2.764 1.00 0.00 H new ATOM 518 N GLU A 35 -1.634 -14.287 0.737 1.00 0.00 N ATOM 519 CA GLU A 35 -2.344 -15.308 -0.022 1.00 0.00 C ATOM 520 C GLU A 35 -1.909 -15.301 -1.489 1.00 0.00 C ATOM 521 O GLU A 35 -1.833 -14.244 -2.115 1.00 0.00 O ATOM 522 CB GLU A 35 -3.857 -15.084 0.086 1.00 0.00 C ATOM 523 CG GLU A 35 -4.652 -15.684 -1.061 1.00 0.00 C ATOM 524 CD GLU A 35 -6.055 -16.087 -0.652 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.704 -15.312 0.082 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.504 -17.177 -1.063 1.00 0.00 O ATOM 0 H GLU A 35 -1.736 -13.342 0.368 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.098 -16.283 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.212 -15.512 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.053 -14.013 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.709 -14.962 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.125 -16.557 -1.445 1.00 0.00 H new ATOM 593 N PRO A 40 -5.423 -9.970 -3.303 1.00 0.00 N ATOM 594 CA PRO A 40 -4.745 -8.852 -2.635 1.00 0.00 C ATOM 595 C PRO A 40 -3.835 -8.066 -3.581 1.00 0.00 C ATOM 596 O PRO A 40 -4.161 -6.950 -3.988 1.00 0.00 O ATOM 597 CB PRO A 40 -3.926 -9.543 -1.544 1.00 0.00 C ATOM 598 CG PRO A 40 -3.654 -10.906 -2.076 1.00 0.00 C ATOM 599 CD PRO A 40 -4.852 -11.276 -2.904 1.00 0.00 C ATOM 0 HA PRO A 40 -5.451 -8.113 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.000 -9.004 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.477 -9.588 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.746 -10.915 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.506 -11.619 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.570 -11.871 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.567 -11.867 -2.331 1.00 0.00 H new ATOM 607 N ALA A 41 -2.709 -8.674 -3.951 1.00 0.00 N ATOM 608 CA ALA A 41 -1.727 -8.049 -4.841 1.00 0.00 C ATOM 609 C ALA A 41 -2.311 -7.661 -6.199 1.00 0.00 C ATOM 610 O ALA A 41 -1.578 -7.217 -7.081 1.00 0.00 O ATOM 611 CB ALA A 41 -0.547 -8.986 -5.046 1.00 0.00 C ATOM 0 H ALA A 41 -2.450 -9.612 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.404 -7.128 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.180 -8.516 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.079 -9.197 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.895 -9.918 -5.492 1.00 0.00 H new ATOM 617 N VAL A 42 -3.619 -7.831 -6.376 1.00 0.00 N ATOM 618 CA VAL A 42 -4.263 -7.453 -7.629 1.00 0.00 C ATOM 619 C VAL A 42 -3.925 -6.005 -7.977 1.00 0.00 C ATOM 620 O VAL A 42 -3.866 -5.632 -9.149 1.00 0.00 O ATOM 621 CB VAL A 42 -5.795 -7.627 -7.558 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.473 -7.006 -8.773 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.155 -9.099 -7.440 1.00 0.00 C ATOM 0 H VAL A 42 -4.247 -8.224 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.884 -8.115 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.155 -7.107 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.552 -7.143 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.244 -5.941 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.109 -7.489 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.239 -9.206 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.776 -9.637 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.708 -9.511 -6.535 1.00 0.00 H new ATOM 633 N ALA A 43 -3.692 -5.198 -6.944 1.00 0.00 N ATOM 634 CA ALA A 43 -3.322 -3.800 -7.132 1.00 0.00 C ATOM 635 C ALA A 43 -1.889 -3.687 -7.638 1.00 0.00 C ATOM 636 O ALA A 43 -1.559 -2.793 -8.417 1.00 0.00 O ATOM 637 CB ALA A 43 -3.490 -3.029 -5.832 1.00 0.00 C ATOM 0 H ALA A 43 -3.753 -5.490 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.984 -3.366 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.210 -1.987 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.530 -3.081 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.850 -3.466 -5.065 1.00 0.00 H new ATOM 643 N THR A 44 -1.041 -4.607 -7.186 1.00 0.00 N ATOM 644 CA THR A 44 0.359 -4.629 -7.589 1.00 0.00 C ATOM 645 C THR A 44 0.495 -4.899 -9.084 1.00 0.00 C ATOM 646 O THR A 44 1.172 -4.163 -9.804 1.00 0.00 O ATOM 647 CB THR A 44 1.115 -5.698 -6.800 1.00 0.00 C ATOM 648 OG1 THR A 44 0.454 -5.979 -5.580 1.00 0.00 O ATOM 649 CG2 THR A 44 2.540 -5.307 -6.473 1.00 0.00 C ATOM 0 H THR A 44 -1.302 -5.350 -6.537 1.00 0.00 H new ATOM 0 HA THR A 44 0.788 -3.650 -7.376 1.00 0.00 H new ATOM 0 HB THR A 44 1.138 -6.574 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.676 -5.288 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.018 -6.110 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.090 -5.132 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.539 -4.397 -5.873 1.00 0.00 H new ATOM 657 N LEU A 45 -0.148 -5.969 -9.541 1.00 0.00 N ATOM 658 CA LEU A 45 -0.093 -6.356 -10.945 1.00 0.00 C ATOM 659 C LEU A 45 -0.671 -5.266 -11.842 1.00 0.00 C ATOM 660 O LEU A 45 0.009 -4.778 -12.744 1.00 0.00 O ATOM 661 CB LEU A 45 -0.855 -7.662 -11.164 1.00 0.00 C ATOM 662 CG LEU A 45 -0.290 -8.873 -10.418 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.276 -10.030 -10.461 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.048 -9.287 -11.010 1.00 0.00 C ATOM 0 H LEU A 45 -0.714 -6.584 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 45 0.954 -6.499 -11.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.891 -7.516 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.866 -7.884 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.132 -8.595 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.859 -10.883 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.212 -9.728 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.465 -10.309 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.435 -10.149 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.916 -9.548 -12.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.754 -8.460 -10.928 1.00 0.00 H new ATOM 676 N GLU A 46 -1.930 -4.898 -11.599 1.00 0.00 N ATOM 677 CA GLU A 46 -2.587 -3.862 -12.391 1.00 0.00 C ATOM 678 C GLU A 46 -1.703 -2.622 -12.476 1.00 0.00 C ATOM 679 O GLU A 46 -1.565 -2.011 -13.547 1.00 0.00 O ATOM 680 CB GLU A 46 -3.954 -3.507 -11.794 1.00 0.00 C ATOM 681 CG GLU A 46 -3.878 -2.840 -10.430 1.00 0.00 C ATOM 682 CD GLU A 46 -5.221 -2.317 -9.962 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.237 -3.007 -10.185 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.255 -1.217 -9.370 1.00 0.00 O ATOM 0 H GLU A 46 -2.511 -5.301 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.746 -4.247 -13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.479 -2.845 -12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.550 -4.416 -11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.496 -3.555 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.166 -2.016 -10.472 1.00 0.00 H new ATOM 691 N ALA A 47 -1.068 -2.284 -11.352 1.00 0.00 N ATOM 692 CA ALA A 47 -0.147 -1.161 -11.314 1.00 0.00 C ATOM 693 C ALA A 47 0.715 -1.185 -12.557 1.00 0.00 C ATOM 694 O ALA A 47 0.820 -0.196 -13.261 1.00 0.00 O ATOM 695 CB ALA A 47 0.707 -1.201 -10.056 1.00 0.00 C ATOM 0 H ALA A 47 -1.178 -2.773 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.715 -0.231 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.388 -0.350 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.063 -1.155 -9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.283 -2.126 -10.036 1.00 0.00 H new ATOM 701 N MET A 48 1.350 -2.320 -12.806 1.00 0.00 N ATOM 702 CA MET A 48 2.091 -2.512 -14.044 1.00 0.00 C ATOM 703 C MET A 48 1.120 -2.802 -15.196 1.00 0.00 C ATOM 704 O MET A 48 0.298 -3.710 -15.082 1.00 0.00 O ATOM 705 CB MET A 48 3.095 -3.661 -13.910 1.00 0.00 C ATOM 706 CG MET A 48 3.330 -4.112 -12.476 1.00 0.00 C ATOM 707 SD MET A 48 4.179 -5.699 -12.378 1.00 0.00 S ATOM 708 CE MET A 48 5.783 -5.267 -13.046 1.00 0.00 C ATOM 0 H MET A 48 1.368 -3.118 -12.171 1.00 0.00 H new ATOM 0 HA MET A 48 2.643 -1.596 -14.256 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.740 -4.510 -14.494 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.046 -3.352 -14.343 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.917 -3.357 -11.953 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.372 -4.184 -11.960 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.564 -5.757 -12.464 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.845 -5.595 -14.084 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.918 -4.186 -12.998 1.00 0.00 H new ATOM 718 N PRO A 49 1.321 -2.202 -16.385 1.00 0.00 N ATOM 719 CA PRO A 49 2.246 -1.101 -16.611 1.00 0.00 C ATOM 720 C PRO A 49 1.655 0.267 -16.258 1.00 0.00 C ATOM 721 O PRO A 49 2.187 1.294 -16.676 1.00 0.00 O ATOM 722 CB PRO A 49 2.496 -1.202 -18.110 1.00 0.00 C ATOM 723 CG PRO A 49 1.196 -1.675 -18.676 1.00 0.00 C ATOM 724 CD PRO A 49 0.470 -2.409 -17.570 1.00 0.00 C ATOM 0 HA PRO A 49 3.138 -1.174 -15.988 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.784 -0.238 -18.530 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.303 -1.901 -18.332 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.603 -0.833 -19.034 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.364 -2.332 -19.529 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.532 -2.009 -17.416 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.358 -3.468 -17.801 1.00 0.00 H new ATOM 732 N GLN A 50 0.501 0.284 -15.585 1.00 0.00 N ATOM 733 CA GLN A 50 -0.169 1.548 -15.266 1.00 0.00 C ATOM 734 C GLN A 50 0.544 2.333 -14.160 1.00 0.00 C ATOM 735 O GLN A 50 -0.086 3.122 -13.456 1.00 0.00 O ATOM 736 CB GLN A 50 -1.618 1.279 -14.849 1.00 0.00 C ATOM 737 CG GLN A 50 -2.369 0.374 -15.811 1.00 0.00 C ATOM 738 CD GLN A 50 -2.751 1.078 -17.098 1.00 0.00 C ATOM 739 OE1 GLN A 50 -2.117 0.888 -18.136 1.00 0.00 O ATOM 740 NE2 GLN A 50 -3.794 1.899 -17.038 1.00 0.00 N ATOM 0 H GLN A 50 0.017 -0.551 -15.254 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.142 2.159 -16.168 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.624 0.826 -13.857 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.147 2.229 -14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.751 -0.493 -16.045 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.270 0.001 -15.324 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.292 2.028 -16.157 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.097 2.400 -17.873 1.00 0.00 H new ATOM 749 N LEU A 51 1.852 2.124 -14.000 1.00 0.00 N ATOM 750 CA LEU A 51 2.607 2.827 -12.968 1.00 0.00 C ATOM 751 C LEU A 51 2.803 4.297 -13.331 1.00 0.00 C ATOM 752 O LEU A 51 2.075 4.848 -14.158 1.00 0.00 O ATOM 753 CB LEU A 51 3.969 2.160 -12.731 1.00 0.00 C ATOM 754 CG LEU A 51 4.695 1.611 -13.969 1.00 0.00 C ATOM 755 CD1 LEU A 51 4.224 0.201 -14.282 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.525 2.521 -15.179 1.00 0.00 C ATOM 0 H LEU A 51 2.404 1.480 -14.567 1.00 0.00 H new ATOM 0 HA LEU A 51 2.027 2.773 -12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.623 2.885 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.828 1.339 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 51 5.760 1.579 -13.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.749 -0.171 -15.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.433 -0.449 -13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.152 0.210 -14.477 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.054 2.095 -16.032 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.466 2.614 -15.419 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.934 3.506 -14.954 1.00 0.00 H new ATOM 768 N LYS A 52 3.800 4.922 -12.711 1.00 0.00 N ATOM 769 CA LYS A 52 4.103 6.323 -12.963 1.00 0.00 C ATOM 770 C LYS A 52 5.614 6.550 -12.967 1.00 0.00 C ATOM 771 O LYS A 52 6.387 5.624 -13.213 1.00 0.00 O ATOM 772 CB LYS A 52 3.441 7.201 -11.902 1.00 0.00 C ATOM 773 CG LYS A 52 2.527 8.271 -12.477 1.00 0.00 C ATOM 774 CD LYS A 52 3.232 9.615 -12.574 1.00 0.00 C ATOM 775 CE LYS A 52 3.041 10.246 -13.944 1.00 0.00 C ATOM 776 NZ LYS A 52 2.663 11.683 -13.846 1.00 0.00 N ATOM 0 H LYS A 52 4.413 4.476 -12.028 1.00 0.00 H new ATOM 0 HA LYS A 52 3.709 6.594 -13.943 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.865 6.568 -11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.216 7.681 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.186 7.966 -13.466 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.641 8.369 -11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.846 10.286 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.296 9.484 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.962 10.151 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.268 9.704 -14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.542 12.076 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.771 11.772 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.412 12.206 -13.349 1.00 0.00 H new ATOM 790 N LYS A 53 6.029 7.783 -12.690 1.00 0.00 N ATOM 791 CA LYS A 53 7.448 8.121 -12.658 1.00 0.00 C ATOM 792 C LYS A 53 8.012 7.956 -11.250 1.00 0.00 C ATOM 793 O LYS A 53 8.947 8.656 -10.857 1.00 0.00 O ATOM 794 CB LYS A 53 7.661 9.557 -13.143 1.00 0.00 C ATOM 795 CG LYS A 53 7.982 9.655 -14.626 1.00 0.00 C ATOM 796 CD LYS A 53 8.462 11.048 -15.001 1.00 0.00 C ATOM 797 CE LYS A 53 9.726 10.995 -15.844 1.00 0.00 C ATOM 798 NZ LYS A 53 9.673 9.909 -16.861 1.00 0.00 N ATOM 0 H LYS A 53 5.404 8.563 -12.485 1.00 0.00 H new ATOM 0 HA LYS A 53 7.977 7.439 -13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.764 10.139 -12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.473 10.008 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.748 8.924 -14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.095 9.405 -15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.678 11.568 -15.552 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.651 11.624 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.869 11.953 -16.344 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.588 10.842 -15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.191 10.206 -17.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.109 9.048 -16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.682 9.713 -17.109 1.00 0.00 H new ATOM 812 N GLY A 54 7.437 7.024 -10.496 1.00 0.00 N ATOM 813 CA GLY A 54 7.887 6.780 -9.139 1.00 0.00 C ATOM 814 C GLY A 54 6.796 6.182 -8.272 1.00 0.00 C ATOM 815 O GLY A 54 6.232 6.862 -7.415 1.00 0.00 O ATOM 0 H GLY A 54 6.665 6.432 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.744 6.106 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.227 7.716 -8.697 1.00 0.00 H new ATOM 819 N GLU A 55 6.493 4.908 -8.503 1.00 0.00 N ATOM 820 CA GLU A 55 5.450 4.221 -7.751 1.00 0.00 C ATOM 821 C GLU A 55 5.942 3.794 -6.379 1.00 0.00 C ATOM 822 O GLU A 55 7.128 3.888 -6.072 1.00 0.00 O ATOM 823 CB GLU A 55 4.947 3.000 -8.528 1.00 0.00 C ATOM 824 CG GLU A 55 5.754 1.733 -8.284 1.00 0.00 C ATOM 825 CD GLU A 55 6.486 1.258 -9.522 1.00 0.00 C ATOM 826 OE1 GLU A 55 6.177 1.755 -10.624 1.00 0.00 O ATOM 827 OE2 GLU A 55 7.371 0.386 -9.389 1.00 0.00 O ATOM 0 H GLU A 55 6.956 4.331 -9.205 1.00 0.00 H new ATOM 0 HA GLU A 55 4.628 4.923 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.908 2.814 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.963 3.229 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.476 1.915 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.087 0.944 -7.936 1.00 0.00 H new ATOM 834 N ILE A 56 5.008 3.322 -5.565 1.00 0.00 N ATOM 835 CA ILE A 56 5.300 2.872 -4.214 1.00 0.00 C ATOM 836 C ILE A 56 4.241 1.858 -3.787 1.00 0.00 C ATOM 837 O ILE A 56 3.191 1.741 -4.421 1.00 0.00 O ATOM 838 CB ILE A 56 5.326 4.066 -3.223 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.546 4.954 -3.479 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.324 3.593 -1.776 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.418 6.343 -2.894 1.00 0.00 C ATOM 0 H ILE A 56 4.025 3.241 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 56 6.285 2.406 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 56 4.420 4.648 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.430 4.473 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.707 5.035 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.343 4.456 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.424 3.008 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.204 2.976 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.319 6.915 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.554 6.844 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.288 6.272 -1.814 1.00 0.00 H new ATOM 853 N LEU A 57 4.528 1.084 -2.758 1.00 0.00 N ATOM 854 CA LEU A 57 3.569 0.106 -2.282 1.00 0.00 C ATOM 855 C LEU A 57 3.871 -0.301 -0.850 1.00 0.00 C ATOM 856 O LEU A 57 4.965 -0.055 -0.337 1.00 0.00 O ATOM 857 CB LEU A 57 3.553 -1.105 -3.206 1.00 0.00 C ATOM 858 CG LEU A 57 2.532 -2.177 -2.862 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.263 -1.954 -3.660 1.00 0.00 C ATOM 860 CD2 LEU A 57 3.100 -3.564 -3.119 1.00 0.00 C ATOM 0 H LEU A 57 5.407 1.112 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 57 2.578 0.559 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.365 -0.762 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.545 -1.557 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 57 2.293 -2.108 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.535 -2.726 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.850 -0.974 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.490 -2.002 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.352 -4.316 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.368 -3.658 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.987 -3.713 -2.504 1.00 0.00 H new ATOM 872 N GLU A 58 2.879 -0.886 -0.200 1.00 0.00 N ATOM 873 CA GLU A 58 2.988 -1.260 1.196 1.00 0.00 C ATOM 874 C GLU A 58 2.145 -2.498 1.491 1.00 0.00 C ATOM 875 O GLU A 58 0.997 -2.588 1.060 1.00 0.00 O ATOM 876 CB GLU A 58 2.540 -0.086 2.056 1.00 0.00 C ATOM 877 CG GLU A 58 1.720 0.909 1.261 1.00 0.00 C ATOM 878 CD GLU A 58 0.959 1.888 2.134 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.362 2.084 3.300 1.00 0.00 O ATOM 880 OE2 GLU A 58 -0.040 2.463 1.650 1.00 0.00 O ATOM 0 H GLU A 58 1.980 -1.113 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 58 4.025 -1.505 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.951 -0.454 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.414 0.414 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.380 1.464 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.013 0.368 0.632 1.00 0.00 H new ATOM 887 N VAL A 59 2.726 -3.467 2.194 1.00 0.00 N ATOM 888 CA VAL A 59 2.015 -4.702 2.513 1.00 0.00 C ATOM 889 C VAL A 59 2.295 -5.160 3.940 1.00 0.00 C ATOM 890 O VAL A 59 3.447 -5.231 4.365 1.00 0.00 O ATOM 891 CB VAL A 59 2.392 -5.841 1.548 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.550 -7.076 1.833 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.231 -5.402 0.101 1.00 0.00 C ATOM 0 H VAL A 59 3.680 -3.422 2.551 1.00 0.00 H new ATOM 0 HA VAL A 59 0.954 -4.477 2.408 1.00 0.00 H new ATOM 0 HB VAL A 59 3.441 -6.092 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.828 -7.873 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.723 -7.406 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.495 -6.835 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.503 -6.224 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.194 -5.119 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.880 -4.548 -0.095 1.00 0.00 H new ATOM 903 N VAL A 60 1.232 -5.498 4.663 1.00 0.00 N ATOM 904 CA VAL A 60 1.351 -5.995 6.029 1.00 0.00 C ATOM 905 C VAL A 60 0.443 -7.207 6.231 1.00 0.00 C ATOM 906 O VAL A 60 -0.759 -7.069 6.450 1.00 0.00 O ATOM 907 CB VAL A 60 0.997 -4.916 7.075 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.987 -4.953 8.230 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.959 -3.533 6.443 1.00 0.00 C ATOM 0 H VAL A 60 0.272 -5.436 4.323 1.00 0.00 H new ATOM 0 HA VAL A 60 2.393 -6.279 6.175 1.00 0.00 H new ATOM 0 HB VAL A 60 0.002 -5.133 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.724 -4.187 8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.954 -5.933 8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.993 -4.766 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.707 -2.793 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.936 -3.300 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.207 -3.514 5.654 1.00 0.00 H new ATOM 919 N SER A 61 1.017 -8.397 6.124 1.00 0.00 N ATOM 920 CA SER A 61 0.241 -9.620 6.266 1.00 0.00 C ATOM 921 C SER A 61 0.963 -10.639 7.135 1.00 0.00 C ATOM 922 O SER A 61 2.135 -10.470 7.471 1.00 0.00 O ATOM 923 CB SER A 61 -0.045 -10.223 4.891 1.00 0.00 C ATOM 924 OG SER A 61 0.380 -9.355 3.854 1.00 0.00 O ATOM 0 H SER A 61 2.010 -8.541 5.941 1.00 0.00 H new ATOM 0 HA SER A 61 -0.699 -9.363 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.464 -11.182 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.113 -10.418 4.791 1.00 0.00 H new ATOM 0 HG SER A 61 0.187 -9.765 2.985 1.00 0.00 H new ATOM 930 N ASP A 62 0.258 -11.712 7.474 1.00 0.00 N ATOM 931 CA ASP A 62 0.828 -12.776 8.292 1.00 0.00 C ATOM 932 C ASP A 62 0.848 -14.092 7.523 1.00 0.00 C ATOM 933 O ASP A 62 -0.097 -14.414 6.803 1.00 0.00 O ATOM 934 CB ASP A 62 0.031 -12.940 9.588 1.00 0.00 C ATOM 935 CG ASP A 62 -1.212 -12.074 9.621 1.00 0.00 C ATOM 936 OD1 ASP A 62 -2.154 -12.358 8.853 1.00 0.00 O ATOM 937 OD2 ASP A 62 -1.242 -11.109 10.414 1.00 0.00 O ATOM 0 H ASP A 62 -0.710 -11.868 7.195 1.00 0.00 H new ATOM 0 HA ASP A 62 1.853 -12.501 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.256 -13.985 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.668 -12.688 10.436 1.00 0.00 H new ATOM 942 N CYS A 63 1.945 -14.831 7.652 1.00 0.00 N ATOM 943 CA CYS A 63 2.089 -16.110 6.965 1.00 0.00 C ATOM 944 C CYS A 63 3.150 -16.978 7.640 1.00 0.00 C ATOM 945 O CYS A 63 4.247 -16.506 7.940 1.00 0.00 O ATOM 946 CB CYS A 63 2.460 -15.883 5.497 1.00 0.00 C ATOM 947 SG CYS A 63 1.987 -17.239 4.399 1.00 0.00 S ATOM 0 H CYS A 63 2.746 -14.567 8.225 1.00 0.00 H new ATOM 0 HA CYS A 63 1.133 -16.631 7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.984 -14.966 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.537 -15.730 5.425 1.00 0.00 H new ATOM 0 HG CYS A 63 2.340 -16.954 3.181 1.00 0.00 H new ATOM 953 N PRO A 64 2.840 -18.265 7.883 1.00 0.00 N ATOM 954 CA PRO A 64 3.776 -19.195 8.524 1.00 0.00 C ATOM 955 C PRO A 64 5.047 -19.388 7.703 1.00 0.00 C ATOM 956 O PRO A 64 6.123 -19.627 8.252 1.00 0.00 O ATOM 957 CB PRO A 64 2.991 -20.511 8.609 1.00 0.00 C ATOM 958 CG PRO A 64 1.560 -20.123 8.447 1.00 0.00 C ATOM 959 CD PRO A 64 1.558 -18.912 7.561 1.00 0.00 C ATOM 0 HA PRO A 64 4.110 -18.826 9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.301 -21.206 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.159 -21.009 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.984 -20.934 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.104 -19.901 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.496 -19.183 6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.712 -18.258 7.772 1.00 0.00 H new ATOM 967 N GLN A 65 4.914 -19.282 6.384 1.00 0.00 N ATOM 968 CA GLN A 65 6.049 -19.447 5.484 1.00 0.00 C ATOM 969 C GLN A 65 6.868 -18.162 5.399 1.00 0.00 C ATOM 970 O GLN A 65 6.646 -17.221 6.160 1.00 0.00 O ATOM 971 CB GLN A 65 5.564 -19.849 4.090 1.00 0.00 C ATOM 972 CG GLN A 65 5.393 -21.351 3.916 1.00 0.00 C ATOM 973 CD GLN A 65 4.631 -21.709 2.655 1.00 0.00 C ATOM 974 OE1 GLN A 65 5.219 -22.119 1.654 1.00 0.00 O ATOM 975 NE2 GLN A 65 3.312 -21.556 2.698 1.00 0.00 N ATOM 0 H GLN A 65 4.030 -19.082 5.915 1.00 0.00 H new ATOM 0 HA GLN A 65 6.686 -20.236 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.612 -19.357 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.274 -19.484 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.375 -21.824 3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.867 -21.756 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.866 -21.213 3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.746 -21.781 1.880 1.00 0.00 H new ATOM 984 N SER A 66 7.817 -18.132 4.468 1.00 0.00 N ATOM 985 CA SER A 66 8.673 -16.965 4.283 1.00 0.00 C ATOM 986 C SER A 66 8.388 -16.287 2.948 1.00 0.00 C ATOM 987 O SER A 66 8.765 -15.135 2.731 1.00 0.00 O ATOM 988 CB SER A 66 10.145 -17.374 4.354 1.00 0.00 C ATOM 989 OG SER A 66 10.384 -18.234 5.454 1.00 0.00 O ATOM 0 H SER A 66 8.013 -18.903 3.830 1.00 0.00 H new ATOM 0 HA SER A 66 8.458 -16.256 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.431 -17.874 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.769 -16.484 4.442 1.00 0.00 H new ATOM 0 HG SER A 66 11.332 -18.482 5.475 1.00 0.00 H new ATOM 995 N ILE A 67 7.722 -17.012 2.054 1.00 0.00 N ATOM 996 CA ILE A 67 7.385 -16.484 0.737 1.00 0.00 C ATOM 997 C ILE A 67 6.379 -15.342 0.844 1.00 0.00 C ATOM 998 O ILE A 67 5.422 -15.415 1.615 1.00 0.00 O ATOM 999 CB ILE A 67 6.807 -17.585 -0.175 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.807 -18.735 -0.321 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.448 -17.018 -1.541 1.00 0.00 C ATOM 1002 CD1 ILE A 67 7.290 -20.056 0.205 1.00 0.00 C ATOM 0 H ILE A 67 7.405 -17.967 2.218 1.00 0.00 H new ATOM 0 HA ILE A 67 8.309 -16.107 0.298 1.00 0.00 H new ATOM 0 HB ILE A 67 5.897 -17.970 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.066 -18.849 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.725 -18.477 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.042 -17.811 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.703 -16.231 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.341 -16.605 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.051 -20.825 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.057 -19.959 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.389 -20.337 -0.340 1.00 0.00 H new ATOM 1014 N ASN A 68 6.607 -14.289 0.066 1.00 0.00 N ATOM 1015 CA ASN A 68 5.720 -13.130 0.065 1.00 0.00 C ATOM 1016 C ASN A 68 4.771 -13.181 -1.129 1.00 0.00 C ATOM 1017 O ASN A 68 5.202 -13.342 -2.270 1.00 0.00 O ATOM 1018 CB ASN A 68 6.539 -11.839 0.035 1.00 0.00 C ATOM 1019 CG ASN A 68 8.020 -12.084 0.252 1.00 0.00 C ATOM 1020 OD1 ASN A 68 8.435 -12.542 1.316 1.00 0.00 O ATOM 1021 ND2 ASN A 68 8.824 -11.778 -0.760 1.00 0.00 N ATOM 0 H ASN A 68 7.399 -14.214 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 68 5.126 -13.149 0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.393 -11.343 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.170 -11.161 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.830 -11.921 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.435 -11.400 -1.624 1.00 0.00 H new ATOM 1028 N ASN A 69 3.474 -13.062 -0.854 1.00 0.00 N ATOM 1029 CA ASN A 69 2.456 -13.148 -1.898 1.00 0.00 C ATOM 1030 C ASN A 69 2.434 -11.908 -2.798 1.00 0.00 C ATOM 1031 O ASN A 69 2.594 -12.022 -4.015 1.00 0.00 O ATOM 1032 CB ASN A 69 1.074 -13.386 -1.277 1.00 0.00 C ATOM 1033 CG ASN A 69 0.573 -12.212 -0.453 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.428 -11.679 0.413 1.00 0.00 O flip ATOM 1035 ND2 ASN A 69 -0.581 -11.804 -0.578 1.00 0.00 N flip ATOM 0 H ASN A 69 3.103 -12.906 0.083 1.00 0.00 H new ATOM 0 HA ASN A 69 2.716 -13.996 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.358 -13.595 -2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.116 -14.273 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.206 -12.241 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.913 -11.028 -0.004 1.00 0.00 H new ATOM 1042 N ILE A 70 2.214 -10.732 -2.211 1.00 0.00 N ATOM 1043 CA ILE A 70 2.136 -9.496 -2.991 1.00 0.00 C ATOM 1044 C ILE A 70 3.406 -9.266 -3.818 1.00 0.00 C ATOM 1045 O ILE A 70 3.330 -9.087 -5.035 1.00 0.00 O ATOM 1046 CB ILE A 70 1.865 -8.256 -2.105 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.775 -8.554 -1.067 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.466 -7.066 -2.968 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.523 -9.046 -1.667 1.00 0.00 C ATOM 0 H ILE A 70 2.087 -10.608 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 70 1.291 -9.624 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 70 2.783 -8.009 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.148 -9.302 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.578 -7.650 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.279 -6.201 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.272 -6.836 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.562 -7.308 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.243 -9.235 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.920 -8.290 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.342 -9.968 -2.219 1.00 0.00 H new ATOM 1061 N PRO A 71 4.597 -9.275 -3.183 1.00 0.00 N ATOM 1062 CA PRO A 71 5.866 -9.056 -3.890 1.00 0.00 C ATOM 1063 C PRO A 71 6.101 -10.069 -5.004 1.00 0.00 C ATOM 1064 O PRO A 71 6.708 -9.749 -6.024 1.00 0.00 O ATOM 1065 CB PRO A 71 6.923 -9.215 -2.794 1.00 0.00 C ATOM 1066 CG PRO A 71 6.195 -8.931 -1.529 1.00 0.00 C ATOM 1067 CD PRO A 71 4.810 -9.471 -1.737 1.00 0.00 C ATOM 0 HA PRO A 71 5.886 -8.084 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.344 -10.220 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.752 -8.522 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.681 -9.412 -0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.173 -7.861 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.739 -10.522 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.072 -8.932 -1.143 1.00 0.00 H new ATOM 1075 N LEU A 72 5.622 -11.293 -4.802 1.00 0.00 N ATOM 1076 CA LEU A 72 5.786 -12.350 -5.795 1.00 0.00 C ATOM 1077 C LEU A 72 5.100 -11.978 -7.105 1.00 0.00 C ATOM 1078 O LEU A 72 5.542 -12.376 -8.184 1.00 0.00 O ATOM 1079 CB LEU A 72 5.217 -13.668 -5.268 1.00 0.00 C ATOM 1080 CG LEU A 72 5.564 -14.902 -6.103 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.887 -15.498 -5.651 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.452 -15.937 -6.012 1.00 0.00 C ATOM 0 H LEU A 72 5.118 -11.577 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 72 6.853 -12.471 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.579 -13.822 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.132 -13.581 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 72 5.664 -14.596 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.117 -16.375 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.679 -14.758 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.816 -15.789 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.716 -16.808 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.320 -16.239 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.523 -15.507 -6.386 1.00 0.00 H new ATOM 1094 N ASP A 73 4.020 -11.211 -7.001 1.00 0.00 N ATOM 1095 CA ASP A 73 3.266 -10.785 -8.174 1.00 0.00 C ATOM 1096 C ASP A 73 4.068 -9.793 -9.011 1.00 0.00 C ATOM 1097 O ASP A 73 4.323 -10.027 -10.192 1.00 0.00 O ATOM 1098 CB ASP A 73 1.938 -10.155 -7.749 1.00 0.00 C ATOM 1099 CG ASP A 73 0.945 -11.183 -7.243 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.369 -12.119 -6.533 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.256 -11.054 -7.559 1.00 0.00 O ATOM 0 H ASP A 73 3.647 -10.871 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 73 3.066 -11.666 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.123 -9.417 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.505 -9.622 -8.595 1.00 0.00 H new ATOM 1106 N ALA A 74 4.461 -8.684 -8.391 1.00 0.00 N ATOM 1107 CA ALA A 74 5.236 -7.656 -9.080 1.00 0.00 C ATOM 1108 C ALA A 74 6.592 -8.195 -9.519 1.00 0.00 C ATOM 1109 O ALA A 74 7.127 -7.790 -10.552 1.00 0.00 O ATOM 1110 CB ALA A 74 5.411 -6.438 -8.187 1.00 0.00 C ATOM 0 H ALA A 74 4.256 -8.474 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 74 4.687 -7.359 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.991 -5.680 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.433 -6.032 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.935 -6.727 -7.276 1.00 0.00 H new ATOM 1116 N ARG A 75 7.141 -9.115 -8.734 1.00 0.00 N ATOM 1117 CA ARG A 75 8.429 -9.722 -9.048 1.00 0.00 C ATOM 1118 C ARG A 75 8.314 -10.615 -10.278 1.00 0.00 C ATOM 1119 O ARG A 75 9.265 -10.752 -11.048 1.00 0.00 O ATOM 1120 CB ARG A 75 8.939 -10.533 -7.855 1.00 0.00 C ATOM 1121 CG ARG A 75 10.254 -11.251 -8.123 1.00 0.00 C ATOM 1122 CD ARG A 75 10.530 -12.321 -7.079 1.00 0.00 C ATOM 1123 NE ARG A 75 11.832 -12.953 -7.275 1.00 0.00 N ATOM 1124 CZ ARG A 75 12.007 -14.086 -7.947 1.00 0.00 C ATOM 1125 NH1 ARG A 75 10.969 -14.711 -8.485 1.00 0.00 N ATOM 1126 NH2 ARG A 75 13.224 -14.597 -8.081 1.00 0.00 N ATOM 0 H ARG A 75 6.713 -9.457 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 75 9.141 -8.925 -9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.066 -9.867 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.184 -11.268 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.225 -11.706 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.070 -10.528 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.489 -11.877 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.749 -13.080 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 75 12.653 -12.499 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.031 -14.322 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.108 -15.580 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.026 -14.120 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.358 -15.467 -8.597 1.00 0.00 H new ATOM 1140 N ASN A 76 7.142 -11.217 -10.457 1.00 0.00 N ATOM 1141 CA ASN A 76 6.896 -12.089 -11.600 1.00 0.00 C ATOM 1142 C ASN A 76 7.082 -11.327 -12.907 1.00 0.00 C ATOM 1143 O ASN A 76 7.955 -11.657 -13.710 1.00 0.00 O ATOM 1144 CB ASN A 76 5.483 -12.673 -11.527 1.00 0.00 C ATOM 1145 CG ASN A 76 5.421 -14.104 -12.027 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.846 -14.975 -11.375 1.00 0.00 O ATOM 1147 ND2 ASN A 76 6.014 -14.352 -13.189 1.00 0.00 N ATOM 0 H ASN A 76 6.348 -11.117 -9.825 1.00 0.00 H new ATOM 0 HA ASN A 76 7.617 -12.906 -11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.130 -12.636 -10.496 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.807 -12.055 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.004 -15.296 -13.575 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.479 -13.598 -13.695 1.00 0.00 H new ATOM 1154 N HIS A 77 6.266 -10.296 -13.106 1.00 0.00 N ATOM 1155 CA HIS A 77 6.362 -9.468 -14.303 1.00 0.00 C ATOM 1156 C HIS A 77 7.625 -8.616 -14.257 1.00 0.00 C ATOM 1157 O HIS A 77 8.150 -8.206 -15.293 1.00 0.00 O ATOM 1158 CB HIS A 77 5.128 -8.572 -14.431 1.00 0.00 C ATOM 1159 CG HIS A 77 4.725 -8.309 -15.848 1.00 0.00 C ATOM 1160 ND1 HIS A 77 5.171 -7.200 -16.528 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.924 -9.037 -16.665 1.00 0.00 C ATOM 1162 CE1 HIS A 77 4.635 -7.275 -17.734 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.873 -8.370 -17.861 1.00 0.00 N ATOM 0 H HIS A 77 5.533 -10.015 -12.455 1.00 0.00 H new ATOM 0 HA HIS A 77 6.411 -10.122 -15.173 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.295 -9.038 -13.905 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.326 -7.621 -13.936 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.424 -9.962 -16.421 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.791 -6.547 -18.517 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.353 -8.654 -18.691 1.00 0.00 H new ATOM 1171 N GLY A 78 8.108 -8.363 -13.045 1.00 0.00 N ATOM 1172 CA GLY A 78 9.315 -7.578 -12.869 1.00 0.00 C ATOM 1173 C GLY A 78 9.042 -6.093 -12.742 1.00 0.00 C ATOM 1174 O GLY A 78 8.784 -5.413 -13.737 1.00 0.00 O ATOM 0 H GLY A 78 7.682 -8.690 -12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.839 -7.923 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.980 -7.749 -13.716 1.00 0.00 H new ATOM 1178 N TYR A 79 9.114 -5.586 -11.515 1.00 0.00 N ATOM 1179 CA TYR A 79 8.888 -4.168 -11.255 1.00 0.00 C ATOM 1180 C TYR A 79 10.209 -3.452 -10.995 1.00 0.00 C ATOM 1181 O TYR A 79 11.281 -3.983 -11.287 1.00 0.00 O ATOM 1182 CB TYR A 79 7.949 -3.990 -10.057 1.00 0.00 C ATOM 1183 CG TYR A 79 6.790 -3.048 -10.310 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.846 -2.088 -11.315 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.640 -3.112 -9.532 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.788 -1.230 -11.543 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.579 -2.254 -9.752 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.658 -1.315 -10.758 1.00 0.00 C ATOM 1189 OH TYR A 79 3.604 -0.460 -10.980 1.00 0.00 O ATOM 0 H TYR A 79 9.327 -6.137 -10.684 1.00 0.00 H new ATOM 0 HA TYR A 79 8.423 -3.728 -12.137 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.554 -4.965 -9.771 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.526 -3.619 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.732 -2.012 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.574 -3.845 -8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.846 -0.496 -12.333 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.692 -2.319 -9.139 1.00 0.00 H new ATOM 0 HH TYR A 79 3.537 0.177 -10.238 1.00 0.00 H new ATOM 1199 N THR A 80 10.128 -2.243 -10.446 1.00 0.00 N ATOM 1200 CA THR A 80 11.319 -1.458 -10.149 1.00 0.00 C ATOM 1201 C THR A 80 12.067 -2.034 -8.949 1.00 0.00 C ATOM 1202 O THR A 80 13.024 -2.791 -9.110 1.00 0.00 O ATOM 1203 CB THR A 80 10.944 0.001 -9.884 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.916 0.419 -10.765 1.00 0.00 O ATOM 1205 CG2 THR A 80 12.105 0.958 -10.047 1.00 0.00 C ATOM 0 H THR A 80 9.250 -1.787 -10.198 1.00 0.00 H new ATOM 0 HA THR A 80 11.977 -1.501 -11.017 1.00 0.00 H new ATOM 0 HB THR A 80 10.614 0.031 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.049 0.344 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.769 1.975 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.897 0.691 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.486 0.898 -11.067 1.00 0.00 H new ATOM 1213 N VAL A 81 11.623 -1.676 -7.747 1.00 0.00 N ATOM 1214 CA VAL A 81 12.252 -2.163 -6.526 1.00 0.00 C ATOM 1215 C VAL A 81 11.283 -3.019 -5.712 1.00 0.00 C ATOM 1216 O VAL A 81 10.196 -2.571 -5.352 1.00 0.00 O ATOM 1217 CB VAL A 81 12.764 -1.003 -5.650 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.488 -1.535 -4.423 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.670 -0.086 -6.457 1.00 0.00 C ATOM 0 H VAL A 81 10.831 -1.051 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 81 13.102 -2.773 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 81 11.906 -0.423 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.841 -0.700 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.804 -2.146 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.338 -2.141 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 81 14.022 0.727 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.524 -0.653 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.114 0.325 -7.299 1.00 0.00 H new ATOM 1229 N LEU A 82 11.697 -4.248 -5.422 1.00 0.00 N ATOM 1230 CA LEU A 82 10.880 -5.180 -4.656 1.00 0.00 C ATOM 1231 C LEU A 82 11.634 -5.671 -3.423 1.00 0.00 C ATOM 1232 O LEU A 82 12.524 -6.515 -3.524 1.00 0.00 O ATOM 1233 CB LEU A 82 10.488 -6.376 -5.533 1.00 0.00 C ATOM 1234 CG LEU A 82 9.005 -6.459 -5.905 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.156 -6.656 -4.662 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.571 -5.211 -6.661 1.00 0.00 C ATOM 0 H LEU A 82 12.601 -4.623 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 82 9.979 -4.660 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.074 -6.339 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.767 -7.293 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 82 8.861 -7.320 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.105 -6.713 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.449 -7.581 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.304 -5.816 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.514 -5.289 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.729 -4.333 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.159 -5.116 -7.574 1.00 0.00 H new ATOM 1248 N ASP A 83 11.277 -5.133 -2.259 1.00 0.00 N ATOM 1249 CA ASP A 83 11.933 -5.510 -1.010 1.00 0.00 C ATOM 1250 C ASP A 83 10.912 -5.896 0.055 1.00 0.00 C ATOM 1251 O ASP A 83 9.722 -5.616 -0.082 1.00 0.00 O ATOM 1252 CB ASP A 83 12.804 -4.359 -0.503 1.00 0.00 C ATOM 1253 CG ASP A 83 14.232 -4.453 -1.002 1.00 0.00 C ATOM 1254 OD1 ASP A 83 15.031 -5.186 -0.381 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.553 -3.795 -2.014 1.00 0.00 O ATOM 0 H ASP A 83 10.539 -4.437 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 83 12.562 -6.377 -1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.372 -3.411 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.802 -4.358 0.587 1.00 0.00 H new ATOM 1260 N ILE A 84 11.387 -6.545 1.115 1.00 0.00 N ATOM 1261 CA ILE A 84 10.520 -6.967 2.211 1.00 0.00 C ATOM 1262 C ILE A 84 11.173 -6.705 3.565 1.00 0.00 C ATOM 1263 O ILE A 84 12.302 -6.217 3.639 1.00 0.00 O ATOM 1264 CB ILE A 84 10.155 -8.465 2.119 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.368 -9.343 2.458 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.607 -8.804 0.740 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.475 -9.297 1.425 1.00 0.00 C ATOM 0 H ILE A 84 12.369 -6.790 1.238 1.00 0.00 H new ATOM 0 HA ILE A 84 9.608 -6.376 2.122 1.00 0.00 H new ATOM 0 HB ILE A 84 9.375 -8.670 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.771 -9.030 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.035 -10.375 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.357 -9.864 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.712 -8.212 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.359 -8.579 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.294 -9.944 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.091 -9.640 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.838 -8.274 1.326 1.00 0.00 H new ATOM 1279 N GLN A 85 10.455 -7.037 4.632 1.00 0.00 N ATOM 1280 CA GLN A 85 10.958 -6.857 5.989 1.00 0.00 C ATOM 1281 C GLN A 85 10.288 -7.837 6.944 1.00 0.00 C ATOM 1282 O GLN A 85 9.482 -8.670 6.528 1.00 0.00 O ATOM 1283 CB GLN A 85 10.720 -5.422 6.460 1.00 0.00 C ATOM 1284 CG GLN A 85 11.915 -4.507 6.250 1.00 0.00 C ATOM 1285 CD GLN A 85 12.372 -3.839 7.533 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.569 -3.757 7.811 1.00 0.00 O ATOM 1287 NE2 GLN A 85 11.419 -3.357 8.323 1.00 0.00 N ATOM 0 H GLN A 85 9.517 -7.435 4.583 1.00 0.00 H new ATOM 0 HA GLN A 85 12.030 -7.053 5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.861 -5.012 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.464 -5.434 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.740 -5.083 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.657 -3.741 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.439 -3.447 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.667 -2.897 9.199 1.00 0.00 H new ATOM 1296 N GLN A 86 10.618 -7.731 8.228 1.00 0.00 N ATOM 1297 CA GLN A 86 10.046 -8.613 9.237 1.00 0.00 C ATOM 1298 C GLN A 86 9.961 -7.915 10.590 1.00 0.00 C ATOM 1299 O GLN A 86 10.881 -7.201 10.991 1.00 0.00 O ATOM 1300 CB GLN A 86 10.884 -9.886 9.361 1.00 0.00 C ATOM 1301 CG GLN A 86 10.053 -11.158 9.420 1.00 0.00 C ATOM 1302 CD GLN A 86 9.985 -11.746 10.816 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.995 -11.833 11.514 1.00 0.00 O ATOM 1304 NE2 GLN A 86 8.791 -12.155 11.228 1.00 0.00 N ATOM 0 H GLN A 86 11.278 -7.044 8.593 1.00 0.00 H new ATOM 0 HA GLN A 86 9.036 -8.876 8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.566 -9.946 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.498 -9.821 10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.043 -10.944 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.477 -11.896 8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.981 -12.063 10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.684 -12.561 12.158 1.00 0.00 H new ATOM 1313 N ASP A 87 8.851 -8.128 11.290 1.00 0.00 N ATOM 1314 CA ASP A 87 8.647 -7.531 12.605 1.00 0.00 C ATOM 1315 C ASP A 87 8.393 -8.617 13.650 1.00 0.00 C ATOM 1316 O ASP A 87 9.131 -9.601 13.718 1.00 0.00 O ATOM 1317 CB ASP A 87 7.477 -6.544 12.559 1.00 0.00 C ATOM 1318 CG ASP A 87 7.694 -5.348 13.466 1.00 0.00 C ATOM 1319 OD1 ASP A 87 7.718 -5.537 14.701 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.839 -4.224 12.943 1.00 0.00 O ATOM 0 H ASP A 87 8.078 -8.710 10.968 1.00 0.00 H new ATOM 0 HA ASP A 87 9.549 -6.988 12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.336 -6.199 11.535 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.561 -7.057 12.851 1.00 0.00 H new ATOM 1325 N GLY A 88 7.349 -8.443 14.458 1.00 0.00 N ATOM 1326 CA GLY A 88 7.026 -9.431 15.470 1.00 0.00 C ATOM 1327 C GLY A 88 6.459 -10.705 14.867 1.00 0.00 C ATOM 1328 O GLY A 88 7.089 -11.314 14.001 1.00 0.00 O ATOM 0 H GLY A 88 6.724 -7.638 14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.923 -9.669 16.042 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.304 -9.010 16.170 1.00 0.00 H new ATOM 1332 N PRO A 89 5.253 -11.127 15.286 1.00 0.00 N ATOM 1333 CA PRO A 89 4.614 -12.340 14.776 1.00 0.00 C ATOM 1334 C PRO A 89 3.971 -12.125 13.407 1.00 0.00 C ATOM 1335 O PRO A 89 2.977 -12.770 13.072 1.00 0.00 O ATOM 1336 CB PRO A 89 3.534 -12.659 15.825 1.00 0.00 C ATOM 1337 CG PRO A 89 3.707 -11.651 16.919 1.00 0.00 C ATOM 1338 CD PRO A 89 4.425 -10.483 16.310 1.00 0.00 C ATOM 0 HA PRO A 89 5.337 -13.144 14.635 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.537 -12.594 15.390 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.650 -13.673 16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.741 -11.346 17.322 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.280 -12.070 17.746 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.733 -9.760 15.878 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.028 -9.948 17.044 1.00 0.00 H new ATOM 1346 N THR A 90 4.539 -11.213 12.621 1.00 0.00 N ATOM 1347 CA THR A 90 4.013 -10.912 11.295 1.00 0.00 C ATOM 1348 C THR A 90 5.132 -10.523 10.335 1.00 0.00 C ATOM 1349 O THR A 90 6.308 -10.534 10.698 1.00 0.00 O ATOM 1350 CB THR A 90 2.983 -9.783 11.378 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.384 -8.810 12.328 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.601 -10.261 11.765 1.00 0.00 C ATOM 0 H THR A 90 5.363 -10.671 12.881 1.00 0.00 H new ATOM 0 HA THR A 90 3.531 -11.812 10.913 1.00 0.00 H new ATOM 0 HB THR A 90 2.934 -9.360 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.715 -8.095 12.366 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.920 -9.411 11.806 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.243 -10.977 11.025 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.642 -10.740 12.743 1.00 0.00 H new ATOM 1360 N ILE A 91 4.754 -10.184 9.107 1.00 0.00 N ATOM 1361 CA ILE A 91 5.717 -9.805 8.084 1.00 0.00 C ATOM 1362 C ILE A 91 5.165 -8.681 7.207 1.00 0.00 C ATOM 1363 O ILE A 91 3.956 -8.587 6.998 1.00 0.00 O ATOM 1364 CB ILE A 91 6.086 -11.013 7.203 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.203 -10.641 6.225 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.860 -11.523 6.459 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.967 -11.834 5.694 1.00 0.00 C ATOM 0 H ILE A 91 3.782 -10.165 8.797 1.00 0.00 H new ATOM 0 HA ILE A 91 6.614 -9.450 8.591 1.00 0.00 H new ATOM 0 HB ILE A 91 6.451 -11.814 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.773 -10.094 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.900 -9.966 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.138 -12.377 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.099 -11.828 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.463 -10.730 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.742 -11.493 5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.427 -12.370 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.283 -12.499 5.167 1.00 0.00 H new ATOM 1379 N ARG A 92 6.053 -7.822 6.709 1.00 0.00 N ATOM 1380 CA ARG A 92 5.638 -6.698 5.879 1.00 0.00 C ATOM 1381 C ARG A 92 6.595 -6.493 4.705 1.00 0.00 C ATOM 1382 O ARG A 92 7.813 -6.514 4.873 1.00 0.00 O ATOM 1383 CB ARG A 92 5.556 -5.425 6.732 1.00 0.00 C ATOM 1384 CG ARG A 92 5.866 -4.142 5.975 1.00 0.00 C ATOM 1385 CD ARG A 92 6.617 -3.148 6.847 1.00 0.00 C ATOM 1386 NE ARG A 92 6.574 -1.796 6.299 1.00 0.00 N ATOM 1387 CZ ARG A 92 7.032 -0.724 6.940 1.00 0.00 C ATOM 1388 NH1 ARG A 92 7.568 -0.848 8.147 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.956 0.473 6.374 1.00 0.00 N ATOM 0 H ARG A 92 7.059 -7.884 6.866 1.00 0.00 H new ATOM 0 HA ARG A 92 4.653 -6.919 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.555 -5.350 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.250 -5.516 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.461 -4.374 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.937 -3.691 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.186 -3.147 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.655 -3.466 6.947 1.00 0.00 H new ATOM 0 HE ARG A 92 6.170 -1.666 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.630 -1.767 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.918 -0.025 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.546 0.573 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.308 1.294 6.867 1.00 0.00 H new ATOM 1403 N TYR A 93 6.029 -6.270 3.520 1.00 0.00 N ATOM 1404 CA TYR A 93 6.821 -6.039 2.317 1.00 0.00 C ATOM 1405 C TYR A 93 6.441 -4.708 1.671 1.00 0.00 C ATOM 1406 O TYR A 93 5.360 -4.177 1.921 1.00 0.00 O ATOM 1407 CB TYR A 93 6.622 -7.176 1.312 1.00 0.00 C ATOM 1408 CG TYR A 93 5.892 -8.380 1.869 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.547 -9.310 2.663 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.550 -8.594 1.581 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.883 -10.415 3.163 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.879 -9.694 2.078 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.549 -10.600 2.870 1.00 0.00 C ATOM 1414 OH TYR A 93 3.885 -11.699 3.368 1.00 0.00 O ATOM 0 H TYR A 93 5.021 -6.245 3.369 1.00 0.00 H new ATOM 0 HA TYR A 93 7.871 -6.005 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.068 -6.794 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.597 -7.495 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.592 -9.169 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.022 -7.888 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.407 -11.130 3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.835 -9.843 1.847 1.00 0.00 H new ATOM 0 HH TYR A 93 2.952 -11.680 3.070 1.00 0.00 H new ATOM 1424 N LEU A 94 7.334 -4.173 0.842 1.00 0.00 N ATOM 1425 CA LEU A 94 7.085 -2.896 0.179 1.00 0.00 C ATOM 1426 C LEU A 94 7.868 -2.777 -1.126 1.00 0.00 C ATOM 1427 O LEU A 94 8.933 -3.374 -1.281 1.00 0.00 O ATOM 1428 CB LEU A 94 7.464 -1.742 1.108 1.00 0.00 C ATOM 1429 CG LEU A 94 8.752 -1.956 1.906 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.599 -0.694 1.899 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.426 -2.379 3.330 1.00 0.00 C ATOM 0 H LEU A 94 8.231 -4.601 0.614 1.00 0.00 H new ATOM 0 HA LEU A 94 6.022 -2.848 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.569 -0.835 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.645 -1.572 1.806 1.00 0.00 H new ATOM 0 HG LEU A 94 9.326 -2.753 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.511 -0.865 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.858 -0.435 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.036 0.124 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.351 -2.528 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.833 -1.603 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.860 -3.310 3.312 1.00 0.00 H new ATOM 1443 N ILE A 95 7.338 -1.983 -2.054 1.00 0.00 N ATOM 1444 CA ILE A 95 7.997 -1.751 -3.337 1.00 0.00 C ATOM 1445 C ILE A 95 8.007 -0.258 -3.667 1.00 0.00 C ATOM 1446 O ILE A 95 7.170 0.498 -3.176 1.00 0.00 O ATOM 1447 CB ILE A 95 7.328 -2.550 -4.485 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.342 -1.677 -5.273 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.616 -3.775 -3.934 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.934 -1.071 -6.526 1.00 0.00 C ATOM 0 H ILE A 95 6.453 -1.489 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 95 9.024 -2.105 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 95 8.114 -2.872 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.475 -2.279 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.983 -0.876 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.152 -4.325 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.336 -4.418 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.849 -3.462 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.179 -0.468 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.783 -0.442 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.267 -1.867 -7.193 1.00 0.00 H new ATOM 1462 N GLN A 96 8.967 0.161 -4.486 1.00 0.00 N ATOM 1463 CA GLN A 96 9.086 1.567 -4.857 1.00 0.00 C ATOM 1464 C GLN A 96 9.781 1.727 -6.207 1.00 0.00 C ATOM 1465 O GLN A 96 10.533 0.853 -6.635 1.00 0.00 O ATOM 1466 CB GLN A 96 9.868 2.325 -3.783 1.00 0.00 C ATOM 1467 CG GLN A 96 11.244 1.738 -3.511 1.00 0.00 C ATOM 1468 CD GLN A 96 12.220 2.762 -2.964 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.852 3.904 -2.687 1.00 0.00 O ATOM 1470 NE2 GLN A 96 13.474 2.356 -2.801 1.00 0.00 N ATOM 0 H GLN A 96 9.670 -0.449 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 96 8.081 1.980 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.979 3.365 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.292 2.326 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.150 0.916 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.644 1.318 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.736 1.401 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.175 3.000 -2.433 1.00 0.00 H new ATOM 1479 N LYS A 97 9.538 2.860 -6.860 1.00 0.00 N ATOM 1480 CA LYS A 97 10.155 3.143 -8.151 1.00 0.00 C ATOM 1481 C LYS A 97 10.924 4.461 -8.107 1.00 0.00 C ATOM 1482 O LYS A 97 10.358 5.458 -7.609 1.00 0.00 O ATOM 1483 CB LYS A 97 9.095 3.197 -9.253 1.00 0.00 C ATOM 1484 CG LYS A 97 9.645 3.616 -10.608 1.00 0.00 C ATOM 1485 CD LYS A 97 8.715 3.212 -11.740 1.00 0.00 C ATOM 1486 CE LYS A 97 9.474 3.020 -13.043 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.236 4.239 -13.429 1.00 0.00 N ATOM 1488 OXT LYS A 97 12.082 4.486 -8.571 1.00 0.00 O ATOM 0 H LYS A 97 8.920 3.595 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 97 10.855 2.337 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.630 2.216 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.311 3.894 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.790 4.696 -10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.624 3.161 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.201 2.287 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.949 3.976 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.161 2.180 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.772 2.764 -13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.585 4.136 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.614 5.070 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.042 4.363 -12.784 1.00 0.00 H new