USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 49 HIS : no HE2:sc= -7.43! C(o=-12!,f=-15!) USER MOD Set 1.2: A 51 TYR OH : rot 155:sc= -4.37! USER MOD Set 2.1: A 48 CYS SG : rot -120:sc= -1.24 USER MOD Set 2.2: A 86 CYS SG : rot -94:sc= 0.663 USER MOD Set 3.1: A 45 CYS SG : rot -35:sc= 1.53 USER MOD Set 3.2: A 47 THR OG1 : rot 96:sc= 1.39 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.663 (180deg=0.473) USER MOD Single : A 1 SER OG : rot 95:sc= -2.3! USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.0669 (180deg=-0.384) USER MOD Single : A 5 TYR OH : rot -77:sc= -0.11 USER MOD Single : A 7 SER OG : rot 91:sc= -1.01! USER MOD Single : A 8 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-6.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -159:sc= -1.61 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.126 K(o=-0.13,f=-1) USER MOD Single : A 53 ASN : amide:sc= -2.64! C(o=-2.6!,f=-11!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.555 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -7.1! C(o=-7.1!,f=-24!) USER MOD Single : A 70 MET CE :methyl 179:sc= -2.44! (180deg=-2.49!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 110:sc= -0.0136 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.0944 (180deg=-0.742) USER MOD Single : A 81 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7.1!) USER MOD Single : A 82 SER OG : rot -60:sc= -0.713! USER MOD Single : A 85 CYS SG : rot 180:sc= -10.2! USER MOD Single : A 87 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.1!) USER MOD Single : A 90 MET CE :methyl 171:sc= -0.63 (180deg=-0.817) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 105 GLN : amide:sc= -0.0136 K(o=-0.014,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.832 -8.741 3.485 1.00 0.00 N ATOM 2 CA SER A 1 9.770 -9.566 2.847 1.00 0.00 C ATOM 3 C SER A 1 9.702 -9.215 1.359 1.00 0.00 C ATOM 4 O SER A 1 10.133 -8.157 0.948 1.00 0.00 O ATOM 5 CB SER A 1 8.419 -9.279 3.535 1.00 0.00 C ATOM 6 OG SER A 1 8.664 -8.653 4.787 1.00 0.00 O ATOM 0 H1 SER A 1 11.290 -9.289 4.241 1.00 0.00 H new ATOM 0 H2 SER A 1 11.541 -8.476 2.772 1.00 0.00 H new ATOM 0 H3 SER A 1 10.408 -7.881 3.889 1.00 0.00 H new ATOM 0 HA SER A 1 9.996 -10.627 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.805 -8.635 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.865 -10.206 3.679 1.00 0.00 H new ATOM 0 HG SER A 1 8.611 -7.680 4.682 1.00 0.00 H new ATOM 14 N LYS A 2 9.160 -10.081 0.542 1.00 0.00 N ATOM 15 CA LYS A 2 9.068 -9.770 -0.900 1.00 0.00 C ATOM 16 C LYS A 2 7.848 -8.891 -1.096 1.00 0.00 C ATOM 17 O LYS A 2 6.750 -9.269 -0.753 1.00 0.00 O ATOM 18 CB LYS A 2 8.899 -11.080 -1.692 1.00 0.00 C ATOM 19 CG LYS A 2 10.268 -11.596 -2.184 1.00 0.00 C ATOM 20 CD LYS A 2 10.647 -10.933 -3.519 1.00 0.00 C ATOM 21 CE LYS A 2 10.037 -11.717 -4.685 1.00 0.00 C ATOM 22 NZ LYS A 2 10.762 -13.009 -4.852 1.00 0.00 N ATOM 0 H LYS A 2 8.780 -10.986 0.818 1.00 0.00 H new ATOM 0 HA LYS A 2 9.967 -9.262 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.425 -11.833 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.239 -10.914 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.033 -11.385 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.232 -12.679 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.291 -9.903 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.732 -10.897 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.980 -11.903 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.100 -11.132 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.667 -13.336 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.769 -12.874 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.357 -13.720 -4.210 1.00 0.00 H new ATOM 36 N VAL A 3 8.013 -7.711 -1.595 1.00 0.00 N ATOM 37 CA VAL A 3 6.855 -6.798 -1.771 1.00 0.00 C ATOM 38 C VAL A 3 6.692 -6.501 -3.252 1.00 0.00 C ATOM 39 O VAL A 3 7.593 -6.017 -3.877 1.00 0.00 O ATOM 40 CB VAL A 3 7.218 -5.521 -1.001 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.397 -4.312 -1.455 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.992 -5.769 0.474 1.00 0.00 C ATOM 0 H VAL A 3 8.911 -7.330 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 3 5.920 -7.223 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 3 8.264 -5.287 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.692 -3.435 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.576 -4.128 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.337 -4.511 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.245 -4.871 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.945 -6.021 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.622 -6.594 0.805 1.00 0.00 H new ATOM 52 N VAL A 4 5.547 -6.781 -3.800 1.00 0.00 N ATOM 53 CA VAL A 4 5.309 -6.510 -5.247 1.00 0.00 C ATOM 54 C VAL A 4 4.251 -5.418 -5.395 1.00 0.00 C ATOM 55 O VAL A 4 3.218 -5.442 -4.774 1.00 0.00 O ATOM 56 CB VAL A 4 4.833 -7.795 -5.916 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.348 -7.502 -7.333 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.983 -8.801 -5.957 1.00 0.00 C ATOM 0 H VAL A 4 4.755 -7.191 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 4 6.231 -6.172 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 4 4.005 -8.212 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.011 -8.427 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.522 -6.792 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.165 -7.077 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.645 -9.721 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.814 -8.381 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.312 -9.020 -4.941 1.00 0.00 H new ATOM 68 N TYR A 5 4.519 -4.492 -6.258 1.00 0.00 N ATOM 69 CA TYR A 5 3.573 -3.389 -6.560 1.00 0.00 C ATOM 70 C TYR A 5 3.096 -3.568 -7.985 1.00 0.00 C ATOM 71 O TYR A 5 3.885 -3.537 -8.898 1.00 0.00 O ATOM 72 CB TYR A 5 4.282 -2.039 -6.439 1.00 0.00 C ATOM 73 CG TYR A 5 4.523 -1.708 -4.988 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.514 -1.107 -4.222 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.763 -1.989 -4.408 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.750 -0.789 -2.879 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.997 -1.666 -3.067 1.00 0.00 C ATOM 78 CZ TYR A 5 4.993 -1.068 -2.302 1.00 0.00 C ATOM 79 OH TYR A 5 5.232 -0.747 -0.982 1.00 0.00 O ATOM 0 H TYR A 5 5.389 -4.451 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 5 2.738 -3.411 -5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.230 -2.068 -6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.677 -1.259 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.555 -0.889 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.540 -2.455 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.972 -0.328 -2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.957 -1.880 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 5 5.395 0.216 -0.904 1.00 0.00 H new ATOM 89 N VAL A 6 1.818 -3.716 -8.202 1.00 0.00 N ATOM 90 CA VAL A 6 1.307 -3.855 -9.602 1.00 0.00 C ATOM 91 C VAL A 6 0.752 -2.492 -10.003 1.00 0.00 C ATOM 92 O VAL A 6 -0.189 -1.995 -9.421 1.00 0.00 O ATOM 93 CB VAL A 6 0.227 -4.938 -9.661 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.188 -5.169 -11.119 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.797 -6.238 -9.089 1.00 0.00 C ATOM 0 H VAL A 6 1.104 -3.747 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 6 2.097 -4.158 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.641 -4.623 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.957 -5.940 -11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.581 -4.242 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.679 -5.489 -11.698 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.035 -7.017 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.661 -6.547 -9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.102 -6.078 -8.055 1.00 0.00 H new ATOM 105 N SER A 7 1.373 -1.865 -10.956 1.00 0.00 N ATOM 106 CA SER A 7 0.942 -0.508 -11.357 1.00 0.00 C ATOM 107 C SER A 7 -0.302 -0.563 -12.239 1.00 0.00 C ATOM 108 O SER A 7 -0.854 -1.610 -12.513 1.00 0.00 O ATOM 109 CB SER A 7 2.073 0.165 -12.135 1.00 0.00 C ATOM 110 OG SER A 7 1.980 -0.208 -13.503 1.00 0.00 O ATOM 0 H SER A 7 2.166 -2.239 -11.477 1.00 0.00 H new ATOM 0 HA SER A 7 0.704 0.058 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.006 1.248 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.039 -0.134 -11.728 1.00 0.00 H new ATOM 0 HG SER A 7 1.424 0.441 -13.982 1.00 0.00 H new ATOM 116 N HIS A 8 -0.725 0.582 -12.683 1.00 0.00 N ATOM 117 CA HIS A 8 -1.921 0.660 -13.562 1.00 0.00 C ATOM 118 C HIS A 8 -1.483 0.266 -14.974 1.00 0.00 C ATOM 119 O HIS A 8 -2.139 -0.500 -15.649 1.00 0.00 O ATOM 120 CB HIS A 8 -2.517 2.100 -13.550 1.00 0.00 C ATOM 121 CG HIS A 8 -1.675 3.020 -12.704 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.187 2.645 -11.453 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.234 4.307 -12.902 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.490 3.685 -10.963 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.489 4.719 -11.801 1.00 0.00 N ATOM 0 H HIS A 8 -0.288 1.479 -12.472 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.700 -0.015 -13.206 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.572 2.484 -14.569 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.536 2.074 -13.163 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.435 4.906 -13.778 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.009 3.682 -10.005 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.037 5.623 -11.665 1.00 0.00 H new ATOM 134 N ASP A 9 -0.374 0.789 -15.418 1.00 0.00 N ATOM 135 CA ASP A 9 0.112 0.453 -16.784 1.00 0.00 C ATOM 136 C ASP A 9 0.473 -1.033 -16.846 1.00 0.00 C ATOM 137 O ASP A 9 0.742 -1.562 -17.906 1.00 0.00 O ATOM 138 CB ASP A 9 1.347 1.303 -17.108 1.00 0.00 C ATOM 139 CG ASP A 9 2.239 1.405 -15.867 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.752 1.857 -14.842 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.397 1.033 -15.964 1.00 0.00 O ATOM 0 H ASP A 9 0.216 1.435 -14.893 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.670 0.662 -17.513 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.903 0.856 -17.932 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.042 2.298 -17.432 1.00 0.00 H new ATOM 146 N GLY A 10 0.475 -1.721 -15.730 1.00 0.00 N ATOM 147 CA GLY A 10 0.811 -3.180 -15.737 1.00 0.00 C ATOM 148 C GLY A 10 2.266 -3.396 -15.315 1.00 0.00 C ATOM 149 O GLY A 10 2.681 -4.509 -15.064 1.00 0.00 O ATOM 0 H GLY A 10 0.258 -1.334 -14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.146 -3.716 -15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.650 -3.592 -16.733 1.00 0.00 H new ATOM 153 N THR A 11 3.055 -2.356 -15.247 1.00 0.00 N ATOM 154 CA THR A 11 4.478 -2.535 -14.851 1.00 0.00 C ATOM 155 C THR A 11 4.567 -2.822 -13.346 1.00 0.00 C ATOM 156 O THR A 11 3.887 -2.220 -12.543 1.00 0.00 O ATOM 157 CB THR A 11 5.271 -1.279 -15.235 1.00 0.00 C ATOM 158 OG1 THR A 11 6.603 -1.650 -15.554 1.00 0.00 O ATOM 159 CG2 THR A 11 5.288 -0.267 -14.086 1.00 0.00 C ATOM 0 H THR A 11 2.775 -1.396 -15.448 1.00 0.00 H new ATOM 0 HA THR A 11 4.910 -3.387 -15.377 1.00 0.00 H new ATOM 0 HB THR A 11 4.791 -0.814 -16.096 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.114 -0.852 -15.802 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.857 0.613 -14.385 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.266 0.026 -13.844 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.753 -0.719 -13.210 1.00 0.00 H new ATOM 167 N ARG A 12 5.361 -3.792 -12.995 1.00 0.00 N ATOM 168 CA ARG A 12 5.477 -4.211 -11.560 1.00 0.00 C ATOM 169 C ARG A 12 6.855 -3.871 -10.967 1.00 0.00 C ATOM 170 O ARG A 12 7.878 -4.043 -11.602 1.00 0.00 O ATOM 171 CB ARG A 12 5.239 -5.725 -11.478 1.00 0.00 C ATOM 172 CG ARG A 12 3.912 -6.074 -12.174 1.00 0.00 C ATOM 173 CD ARG A 12 3.884 -7.561 -12.525 1.00 0.00 C ATOM 174 NE ARG A 12 4.851 -7.826 -13.629 1.00 0.00 N ATOM 175 CZ ARG A 12 4.777 -8.945 -14.312 1.00 0.00 C ATOM 176 NH1 ARG A 12 3.907 -9.852 -13.966 1.00 0.00 N ATOM 177 NH2 ARG A 12 5.589 -9.163 -15.311 1.00 0.00 N ATOM 0 H ARG A 12 5.943 -4.322 -13.643 1.00 0.00 H new ATOM 0 HA ARG A 12 4.733 -3.666 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.062 -6.260 -11.952 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.210 -6.043 -10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.074 -5.830 -11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.797 -5.476 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.141 -8.158 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.879 -7.856 -12.828 1.00 0.00 H new ATOM 0 HE ARG A 12 5.570 -7.138 -13.853 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.290 -9.690 -13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.843 -10.724 -14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.285 -8.462 -15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.527 -10.034 -15.838 1.00 0.00 H new ATOM 191 N ARG A 13 6.882 -3.412 -9.727 1.00 0.00 N ATOM 192 CA ARG A 13 8.171 -3.079 -9.044 1.00 0.00 C ATOM 193 C ARG A 13 8.246 -3.943 -7.782 1.00 0.00 C ATOM 194 O ARG A 13 7.431 -3.806 -6.890 1.00 0.00 O ATOM 195 CB ARG A 13 8.225 -1.589 -8.607 1.00 0.00 C ATOM 196 CG ARG A 13 7.451 -0.676 -9.566 1.00 0.00 C ATOM 197 CD ARG A 13 8.243 -0.475 -10.877 1.00 0.00 C ATOM 198 NE ARG A 13 8.905 0.867 -10.861 1.00 0.00 N ATOM 199 CZ ARG A 13 8.170 1.948 -10.914 1.00 0.00 C ATOM 200 NH1 ARG A 13 6.878 1.840 -11.044 1.00 0.00 N ATOM 201 NH2 ARG A 13 8.730 3.131 -10.870 1.00 0.00 N ATOM 0 H ARG A 13 6.050 -3.255 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 13 8.996 -3.262 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.813 -1.491 -7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.264 -1.264 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.476 -1.112 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.269 0.289 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.991 -1.260 -10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.574 -0.552 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 13 9.921 0.938 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.447 0.918 -11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.298 2.678 -11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.744 3.213 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.152 3.971 -10.912 1.00 0.00 H new ATOM 215 N GLU A 14 9.199 -4.823 -7.689 1.00 0.00 N ATOM 216 CA GLU A 14 9.311 -5.684 -6.483 1.00 0.00 C ATOM 217 C GLU A 14 10.402 -5.108 -5.557 1.00 0.00 C ATOM 218 O GLU A 14 11.532 -4.953 -5.974 1.00 0.00 O ATOM 219 CB GLU A 14 9.699 -7.103 -6.913 1.00 0.00 C ATOM 220 CG GLU A 14 8.945 -7.470 -8.204 1.00 0.00 C ATOM 221 CD GLU A 14 8.973 -8.988 -8.400 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.575 -9.662 -7.579 1.00 0.00 O ATOM 223 OE2 GLU A 14 8.389 -9.450 -9.362 1.00 0.00 O ATOM 0 H GLU A 14 9.911 -4.984 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 14 8.359 -5.713 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.775 -7.164 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.457 -7.813 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.915 -7.119 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.404 -6.974 -9.059 1.00 0.00 H new ATOM 230 N LEU A 15 10.088 -4.815 -4.316 1.00 0.00 N ATOM 231 CA LEU A 15 11.131 -4.275 -3.370 1.00 0.00 C ATOM 232 C LEU A 15 11.302 -5.230 -2.198 1.00 0.00 C ATOM 233 O LEU A 15 10.452 -6.042 -1.900 1.00 0.00 O ATOM 234 CB LEU A 15 10.725 -2.902 -2.750 1.00 0.00 C ATOM 235 CG LEU A 15 9.635 -2.214 -3.529 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.295 -0.916 -2.778 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.100 -1.871 -4.961 1.00 0.00 C ATOM 0 H LEU A 15 9.157 -4.925 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 15 12.042 -4.160 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.391 -3.055 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.600 -2.254 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 15 8.769 -2.871 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.506 -0.384 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.955 -1.157 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.183 -0.286 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.291 -1.375 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.964 -1.208 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.374 -2.787 -5.484 1.00 0.00 H new ATOM 249 N ASP A 16 12.365 -5.046 -1.488 1.00 0.00 N ATOM 250 CA ASP A 16 12.599 -5.826 -0.251 1.00 0.00 C ATOM 251 C ASP A 16 12.275 -4.847 0.871 1.00 0.00 C ATOM 252 O ASP A 16 12.955 -3.852 1.030 1.00 0.00 O ATOM 253 CB ASP A 16 14.066 -6.256 -0.169 1.00 0.00 C ATOM 254 CG ASP A 16 14.274 -7.167 1.029 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.342 -7.316 1.806 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.363 -7.703 1.167 1.00 0.00 O ATOM 0 H ASP A 16 13.099 -4.375 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 16 11.998 -6.734 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.354 -6.774 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.707 -5.378 -0.084 1.00 0.00 H new ATOM 261 N VAL A 17 11.253 -5.096 1.651 1.00 0.00 N ATOM 262 CA VAL A 17 10.896 -4.152 2.765 1.00 0.00 C ATOM 263 C VAL A 17 11.136 -4.860 4.103 1.00 0.00 C ATOM 264 O VAL A 17 10.654 -5.949 4.344 1.00 0.00 O ATOM 265 CB VAL A 17 9.421 -3.747 2.593 1.00 0.00 C ATOM 266 CG1 VAL A 17 9.037 -2.603 3.552 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.229 -3.300 1.143 1.00 0.00 C ATOM 0 H VAL A 17 10.647 -5.912 1.568 1.00 0.00 H new ATOM 0 HA VAL A 17 11.510 -3.252 2.743 1.00 0.00 H new ATOM 0 HB VAL A 17 8.779 -4.596 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.989 -2.341 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.189 -2.925 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.661 -1.733 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.191 -3.006 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.882 -2.453 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.477 -4.123 0.473 1.00 0.00 H new ATOM 277 N ALA A 18 11.918 -4.254 4.954 1.00 0.00 N ATOM 278 CA ALA A 18 12.246 -4.888 6.257 1.00 0.00 C ATOM 279 C ALA A 18 11.029 -4.913 7.184 1.00 0.00 C ATOM 280 O ALA A 18 10.068 -4.190 7.008 1.00 0.00 O ATOM 281 CB ALA A 18 13.376 -4.108 6.933 1.00 0.00 C ATOM 0 H ALA A 18 12.345 -3.341 4.799 1.00 0.00 H new ATOM 0 HA ALA A 18 12.556 -5.915 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.617 -4.572 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.258 -4.117 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.059 -3.079 7.100 1.00 0.00 H new ATOM 287 N ASP A 19 11.086 -5.758 8.172 1.00 0.00 N ATOM 288 CA ASP A 19 9.976 -5.879 9.135 1.00 0.00 C ATOM 289 C ASP A 19 9.775 -4.555 9.859 1.00 0.00 C ATOM 290 O ASP A 19 10.710 -3.863 10.210 1.00 0.00 O ATOM 291 CB ASP A 19 10.307 -6.978 10.143 1.00 0.00 C ATOM 292 CG ASP A 19 11.622 -6.649 10.850 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.263 -5.689 10.455 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.967 -7.362 11.779 1.00 0.00 O ATOM 0 H ASP A 19 11.875 -6.380 8.351 1.00 0.00 H new ATOM 0 HA ASP A 19 9.058 -6.134 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.503 -7.069 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.387 -7.939 9.635 1.00 0.00 H new ATOM 299 N GLY A 20 8.547 -4.228 10.100 1.00 0.00 N ATOM 300 CA GLY A 20 8.229 -2.967 10.822 1.00 0.00 C ATOM 301 C GLY A 20 8.192 -1.766 9.869 1.00 0.00 C ATOM 302 O GLY A 20 7.926 -0.660 10.298 1.00 0.00 O ATOM 0 H GLY A 20 7.736 -4.783 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.265 -3.066 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.974 -2.794 11.598 1.00 0.00 H new ATOM 306 N VAL A 21 8.460 -1.936 8.593 1.00 0.00 N ATOM 307 CA VAL A 21 8.436 -0.758 7.676 1.00 0.00 C ATOM 308 C VAL A 21 7.082 -0.685 6.979 1.00 0.00 C ATOM 309 O VAL A 21 6.453 -1.691 6.715 1.00 0.00 O ATOM 310 CB VAL A 21 9.492 -0.938 6.582 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.483 0.265 5.644 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.887 -1.119 7.181 1.00 0.00 C ATOM 0 H VAL A 21 8.691 -2.828 8.156 1.00 0.00 H new ATOM 0 HA VAL A 21 8.627 0.142 8.260 1.00 0.00 H new ATOM 0 HB VAL A 21 9.244 -1.839 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.237 0.128 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.500 0.358 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.705 1.170 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.614 -1.244 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.146 -0.240 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.897 -2.002 7.820 1.00 0.00 H new ATOM 322 N SER A 22 6.636 0.494 6.654 1.00 0.00 N ATOM 323 CA SER A 22 5.330 0.620 5.949 1.00 0.00 C ATOM 324 C SER A 22 5.569 0.456 4.452 1.00 0.00 C ATOM 325 O SER A 22 6.535 0.953 3.911 1.00 0.00 O ATOM 326 CB SER A 22 4.727 1.997 6.232 1.00 0.00 C ATOM 327 OG SER A 22 5.736 2.989 6.091 1.00 0.00 O ATOM 0 H SER A 22 7.116 1.374 6.844 1.00 0.00 H new ATOM 0 HA SER A 22 4.638 -0.146 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.906 2.196 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.311 2.025 7.239 1.00 0.00 H new ATOM 0 HG SER A 22 5.470 3.798 6.576 1.00 0.00 H new ATOM 333 N LEU A 23 4.701 -0.230 3.764 1.00 0.00 N ATOM 334 CA LEU A 23 4.894 -0.409 2.290 1.00 0.00 C ATOM 335 C LEU A 23 5.158 0.954 1.658 1.00 0.00 C ATOM 336 O LEU A 23 5.944 1.089 0.742 1.00 0.00 O ATOM 337 CB LEU A 23 3.618 -1.003 1.685 1.00 0.00 C ATOM 338 CG LEU A 23 3.560 -2.523 1.934 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.191 -3.052 1.481 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.668 -3.243 1.144 1.00 0.00 C ATOM 0 H LEU A 23 3.869 -0.674 4.152 1.00 0.00 H new ATOM 0 HA LEU A 23 5.735 -1.076 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.743 -0.523 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.589 -0.802 0.614 1.00 0.00 H new ATOM 0 HG LEU A 23 3.707 -2.714 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.141 -4.127 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.403 -2.556 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.056 -2.848 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.611 -4.315 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.537 -3.054 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.642 -2.870 1.461 1.00 0.00 H new ATOM 352 N MET A 24 4.497 1.962 2.143 1.00 0.00 N ATOM 353 CA MET A 24 4.692 3.319 1.579 1.00 0.00 C ATOM 354 C MET A 24 6.118 3.800 1.871 1.00 0.00 C ATOM 355 O MET A 24 6.736 4.457 1.053 1.00 0.00 O ATOM 356 CB MET A 24 3.675 4.265 2.210 1.00 0.00 C ATOM 357 CG MET A 24 3.989 5.709 1.805 1.00 0.00 C ATOM 358 SD MET A 24 2.536 6.744 2.110 1.00 0.00 S ATOM 359 CE MET A 24 3.268 8.321 1.612 1.00 0.00 C ATOM 0 H MET A 24 3.827 1.903 2.910 1.00 0.00 H new ATOM 0 HA MET A 24 4.547 3.299 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.668 3.998 1.889 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.699 4.168 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.841 6.081 2.374 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.266 5.752 0.752 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.530 9.116 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.131 8.537 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.585 8.262 0.571 1.00 0.00 H new ATOM 369 N GLN A 25 6.649 3.483 3.023 1.00 0.00 N ATOM 370 CA GLN A 25 8.036 3.931 3.338 1.00 0.00 C ATOM 371 C GLN A 25 8.986 3.377 2.275 1.00 0.00 C ATOM 372 O GLN A 25 9.715 4.115 1.644 1.00 0.00 O ATOM 373 CB GLN A 25 8.449 3.419 4.735 1.00 0.00 C ATOM 374 CG GLN A 25 8.047 4.436 5.815 1.00 0.00 C ATOM 375 CD GLN A 25 9.077 5.567 5.868 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.264 5.327 5.779 1.00 0.00 O ATOM 377 NE2 GLN A 25 8.670 6.800 6.002 1.00 0.00 N ATOM 0 H GLN A 25 6.187 2.939 3.752 1.00 0.00 H new ATOM 0 HA GLN A 25 8.081 5.020 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.972 2.459 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.526 3.252 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.059 4.841 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.983 3.944 6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.673 7.003 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.349 7.561 6.032 1.00 0.00 H new ATOM 386 N ALA A 26 8.987 2.087 2.062 1.00 0.00 N ATOM 387 CA ALA A 26 9.903 1.518 1.028 1.00 0.00 C ATOM 388 C ALA A 26 9.505 2.006 -0.371 1.00 0.00 C ATOM 389 O ALA A 26 10.330 2.069 -1.258 1.00 0.00 O ATOM 390 CB ALA A 26 9.842 -0.007 1.061 1.00 0.00 C ATOM 0 H ALA A 26 8.402 1.410 2.552 1.00 0.00 H new ATOM 0 HA ALA A 26 10.917 1.851 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.512 -0.414 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.147 -0.362 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.823 -0.335 0.857 1.00 0.00 H new ATOM 396 N ALA A 27 8.267 2.361 -0.581 1.00 0.00 N ATOM 397 CA ALA A 27 7.866 2.843 -1.929 1.00 0.00 C ATOM 398 C ALA A 27 8.556 4.177 -2.226 1.00 0.00 C ATOM 399 O ALA A 27 9.079 4.390 -3.302 1.00 0.00 O ATOM 400 CB ALA A 27 6.354 3.042 -1.967 1.00 0.00 C ATOM 0 H ALA A 27 7.523 2.338 0.117 1.00 0.00 H new ATOM 0 HA ALA A 27 8.160 2.106 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.058 3.395 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.857 2.095 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.065 3.778 -1.217 1.00 0.00 H new ATOM 406 N VAL A 28 8.557 5.080 -1.282 1.00 0.00 N ATOM 407 CA VAL A 28 9.207 6.404 -1.505 1.00 0.00 C ATOM 408 C VAL A 28 10.708 6.206 -1.713 1.00 0.00 C ATOM 409 O VAL A 28 11.384 7.046 -2.280 1.00 0.00 O ATOM 410 CB VAL A 28 8.975 7.288 -0.274 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.692 8.631 -0.441 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.473 7.534 -0.107 1.00 0.00 C ATOM 0 H VAL A 28 8.134 4.957 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 28 8.780 6.880 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 28 9.371 6.782 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.518 9.248 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.762 8.460 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.307 9.142 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.302 8.162 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.085 8.034 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.961 6.581 0.025 1.00 0.00 H new ATOM 422 N SER A 29 11.233 5.106 -1.258 1.00 0.00 N ATOM 423 CA SER A 29 12.695 4.838 -1.412 1.00 0.00 C ATOM 424 C SER A 29 12.952 4.201 -2.772 1.00 0.00 C ATOM 425 O SER A 29 14.053 4.224 -3.283 1.00 0.00 O ATOM 426 CB SER A 29 13.114 3.868 -0.303 1.00 0.00 C ATOM 427 OG SER A 29 13.805 2.753 -0.853 1.00 0.00 O ATOM 0 H SER A 29 10.710 4.372 -0.781 1.00 0.00 H new ATOM 0 HA SER A 29 13.265 5.765 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.753 4.381 0.415 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.234 3.526 0.241 1.00 0.00 H new ATOM 0 HG SER A 29 14.068 2.143 -0.132 1.00 0.00 H new ATOM 433 N ASN A 30 11.928 3.656 -3.361 1.00 0.00 N ATOM 434 CA ASN A 30 12.065 3.037 -4.703 1.00 0.00 C ATOM 435 C ASN A 30 11.350 3.934 -5.701 1.00 0.00 C ATOM 436 O ASN A 30 11.103 3.551 -6.832 1.00 0.00 O ATOM 437 CB ASN A 30 11.407 1.661 -4.680 1.00 0.00 C ATOM 438 CG ASN A 30 12.332 0.671 -3.966 1.00 0.00 C ATOM 439 OD1 ASN A 30 12.900 -0.203 -4.589 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.510 0.771 -2.679 1.00 0.00 N ATOM 0 H ASN A 30 10.990 3.613 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 30 13.113 2.926 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.446 1.713 -4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.209 1.323 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.125 0.116 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.034 1.504 -2.154 1.00 0.00 H new ATOM 447 N GLY A 31 11.062 5.155 -5.322 1.00 0.00 N ATOM 448 CA GLY A 31 10.408 6.100 -6.282 1.00 0.00 C ATOM 449 C GLY A 31 9.110 5.499 -6.826 1.00 0.00 C ATOM 450 O GLY A 31 8.961 5.346 -8.022 1.00 0.00 O ATOM 0 H GLY A 31 11.250 5.537 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.197 7.046 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.087 6.319 -7.106 1.00 0.00 H new ATOM 454 N ILE A 32 8.182 5.126 -5.975 1.00 0.00 N ATOM 455 CA ILE A 32 6.908 4.499 -6.465 1.00 0.00 C ATOM 456 C ILE A 32 5.663 5.261 -5.990 1.00 0.00 C ATOM 457 O ILE A 32 4.834 5.642 -6.795 1.00 0.00 O ATOM 458 CB ILE A 32 6.882 3.047 -5.990 1.00 0.00 C ATOM 459 CG1 ILE A 32 7.986 2.284 -6.721 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.528 2.406 -6.296 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.186 0.919 -6.076 1.00 0.00 C ATOM 0 H ILE A 32 8.250 5.228 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 32 6.885 4.541 -7.554 1.00 0.00 H new ATOM 0 HB ILE A 32 7.041 3.012 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.723 2.164 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.916 2.852 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.528 1.372 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.740 2.959 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.349 2.429 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.974 0.380 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.469 1.048 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.258 0.350 -6.133 1.00 0.00 H new ATOM 616 N CYS A 45 -4.441 11.059 4.925 1.00 0.00 N ATOM 617 CA CYS A 45 -4.605 11.448 3.493 1.00 0.00 C ATOM 618 C CYS A 45 -4.947 10.210 2.667 1.00 0.00 C ATOM 619 O CYS A 45 -4.755 9.089 3.095 1.00 0.00 O ATOM 620 CB CYS A 45 -3.311 12.095 2.971 1.00 0.00 C ATOM 621 SG CYS A 45 -2.130 10.830 2.415 1.00 0.00 S ATOM 0 HA CYS A 45 -5.415 12.172 3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.544 12.768 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.859 12.699 3.758 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.220 9.785 3.183 1.00 0.00 H new ATOM 626 N ALA A 46 -5.452 10.408 1.479 1.00 0.00 N ATOM 627 CA ALA A 46 -5.815 9.255 0.604 1.00 0.00 C ATOM 628 C ALA A 46 -4.731 9.058 -0.455 1.00 0.00 C ATOM 629 O ALA A 46 -4.899 8.303 -1.390 1.00 0.00 O ATOM 630 CB ALA A 46 -7.144 9.551 -0.081 1.00 0.00 C ATOM 0 H ALA A 46 -5.630 11.327 1.074 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.902 8.350 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.417 8.713 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.917 9.698 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.049 10.454 -0.684 1.00 0.00 H new ATOM 636 N THR A 47 -3.622 9.734 -0.323 1.00 0.00 N ATOM 637 CA THR A 47 -2.534 9.586 -1.331 1.00 0.00 C ATOM 638 C THR A 47 -2.107 8.118 -1.403 1.00 0.00 C ATOM 639 O THR A 47 -1.630 7.642 -2.415 1.00 0.00 O ATOM 640 CB THR A 47 -1.339 10.448 -0.909 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.808 11.719 -0.481 1.00 0.00 O ATOM 642 CG2 THR A 47 -0.388 10.624 -2.100 1.00 0.00 C ATOM 0 H THR A 47 -3.423 10.382 0.439 1.00 0.00 H new ATOM 0 HA THR A 47 -2.890 9.908 -2.310 1.00 0.00 H new ATOM 0 HB THR A 47 -0.806 9.962 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.906 11.720 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.462 11.237 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.033 9.648 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.917 11.113 -2.919 1.00 0.00 H new ATOM 650 N CYS A 48 -2.272 7.404 -0.328 1.00 0.00 N ATOM 651 CA CYS A 48 -1.880 5.966 -0.295 1.00 0.00 C ATOM 652 C CYS A 48 -3.064 5.079 -0.707 1.00 0.00 C ATOM 653 O CYS A 48 -3.283 4.026 -0.145 1.00 0.00 O ATOM 654 CB CYS A 48 -1.441 5.618 1.117 1.00 0.00 C ATOM 655 SG CYS A 48 -2.593 6.371 2.296 1.00 0.00 S ATOM 0 H CYS A 48 -2.667 7.759 0.543 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.063 5.793 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.421 4.536 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.429 5.980 1.296 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.946 7.188 3.073 1.00 0.00 H new ATOM 660 N HIS A 49 -3.825 5.495 -1.677 1.00 0.00 N ATOM 661 CA HIS A 49 -4.990 4.675 -2.138 1.00 0.00 C ATOM 662 C HIS A 49 -4.469 3.501 -2.976 1.00 0.00 C ATOM 663 O HIS A 49 -4.028 3.684 -4.090 1.00 0.00 O ATOM 664 CB HIS A 49 -5.879 5.566 -3.020 1.00 0.00 C ATOM 665 CG HIS A 49 -7.026 4.793 -3.625 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.722 3.793 -2.956 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.632 4.894 -4.859 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.694 3.345 -3.782 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.675 3.986 -4.948 1.00 0.00 N ATOM 0 H HIS A 49 -3.694 6.374 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.555 4.296 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.271 6.391 -2.425 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.277 6.005 -3.816 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.533 3.457 -2.011 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.338 5.579 -5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.397 2.566 -3.528 1.00 0.00 H new ATOM 678 N VAL A 50 -4.515 2.290 -2.464 1.00 0.00 N ATOM 679 CA VAL A 50 -4.019 1.126 -3.263 1.00 0.00 C ATOM 680 C VAL A 50 -4.875 -0.093 -2.943 1.00 0.00 C ATOM 681 O VAL A 50 -5.738 -0.053 -2.087 1.00 0.00 O ATOM 682 CB VAL A 50 -2.526 0.840 -2.945 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.844 2.126 -2.485 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.374 -0.219 -1.844 1.00 0.00 C ATOM 0 H VAL A 50 -4.872 2.062 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.095 1.357 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.061 0.463 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.796 1.923 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.909 2.875 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.339 2.500 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.316 -0.392 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.858 0.132 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.840 -1.150 -2.167 1.00 0.00 H new ATOM 694 N TYR A 51 -4.648 -1.170 -3.639 1.00 0.00 N ATOM 695 CA TYR A 51 -5.433 -2.407 -3.424 1.00 0.00 C ATOM 696 C TYR A 51 -4.480 -3.561 -3.078 1.00 0.00 C ATOM 697 O TYR A 51 -3.662 -3.983 -3.876 1.00 0.00 O ATOM 698 CB TYR A 51 -6.190 -2.666 -4.707 1.00 0.00 C ATOM 699 CG TYR A 51 -7.143 -1.514 -4.922 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.314 -1.397 -4.158 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.836 -0.534 -5.874 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.171 -0.309 -4.364 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.692 0.539 -6.067 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.851 0.658 -5.323 1.00 0.00 C ATOM 705 OH TYR A 51 -9.681 1.726 -5.558 1.00 0.00 O ATOM 0 H TYR A 51 -3.934 -1.242 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.134 -2.313 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.500 -2.753 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.736 -3.607 -4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.553 -2.143 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.931 -0.614 -6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.077 -0.217 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.451 1.289 -6.806 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.160 2.471 -5.924 1.00 0.00 H new ATOM 715 N VAL A 52 -4.605 -4.059 -1.882 1.00 0.00 N ATOM 716 CA VAL A 52 -3.738 -5.187 -1.428 1.00 0.00 C ATOM 717 C VAL A 52 -4.413 -6.505 -1.760 1.00 0.00 C ATOM 718 O VAL A 52 -5.582 -6.701 -1.485 1.00 0.00 O ATOM 719 CB VAL A 52 -3.514 -5.129 0.088 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.674 -6.336 0.515 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.781 -3.834 0.462 1.00 0.00 C ATOM 0 H VAL A 52 -5.278 -3.731 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.778 -5.105 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.477 -5.149 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.510 -6.302 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.200 -7.255 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.713 -6.311 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.626 -3.802 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.816 -3.803 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.379 -2.976 0.155 1.00 0.00 H new ATOM 731 N ASN A 53 -3.685 -7.426 -2.320 1.00 0.00 N ATOM 732 CA ASN A 53 -4.298 -8.739 -2.630 1.00 0.00 C ATOM 733 C ASN A 53 -4.952 -9.273 -1.355 1.00 0.00 C ATOM 734 O ASN A 53 -4.314 -9.411 -0.329 1.00 0.00 O ATOM 735 CB ASN A 53 -3.215 -9.694 -3.147 1.00 0.00 C ATOM 736 CG ASN A 53 -3.677 -11.150 -3.053 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.838 -11.425 -2.832 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.802 -12.101 -3.233 1.00 0.00 N ATOM 0 H ASN A 53 -2.702 -7.327 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.058 -8.645 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.975 -9.451 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.301 -9.561 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.094 -13.077 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.826 -11.868 -3.419 1.00 0.00 H new ATOM 745 N GLU A 54 -6.234 -9.514 -1.398 1.00 0.00 N ATOM 746 CA GLU A 54 -6.979 -9.990 -0.196 1.00 0.00 C ATOM 747 C GLU A 54 -6.251 -11.142 0.509 1.00 0.00 C ATOM 748 O GLU A 54 -6.715 -11.637 1.517 1.00 0.00 O ATOM 749 CB GLU A 54 -8.370 -10.471 -0.624 1.00 0.00 C ATOM 750 CG GLU A 54 -8.241 -11.490 -1.764 1.00 0.00 C ATOM 751 CD GLU A 54 -7.938 -10.763 -3.075 1.00 0.00 C ATOM 752 OE1 GLU A 54 -8.525 -9.718 -3.298 1.00 0.00 O ATOM 753 OE2 GLU A 54 -7.124 -11.265 -3.829 1.00 0.00 O ATOM 0 H GLU A 54 -6.809 -9.399 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.053 -9.157 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.885 -10.923 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.974 -9.623 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.447 -12.202 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.164 -12.062 -1.859 1.00 0.00 H new ATOM 760 N ALA A 55 -5.133 -11.589 0.007 1.00 0.00 N ATOM 761 CA ALA A 55 -4.417 -12.717 0.665 1.00 0.00 C ATOM 762 C ALA A 55 -3.473 -12.211 1.767 1.00 0.00 C ATOM 763 O ALA A 55 -3.023 -12.983 2.584 1.00 0.00 O ATOM 764 CB ALA A 55 -3.604 -13.484 -0.370 1.00 0.00 C ATOM 0 H ALA A 55 -4.684 -11.221 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.164 -13.370 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.082 -14.308 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.271 -13.878 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.877 -12.815 -0.830 1.00 0.00 H new ATOM 770 N PHE A 56 -3.148 -10.941 1.815 1.00 0.00 N ATOM 771 CA PHE A 56 -2.222 -10.416 2.866 1.00 0.00 C ATOM 772 C PHE A 56 -3.001 -9.421 3.736 1.00 0.00 C ATOM 773 O PHE A 56 -2.528 -8.944 4.738 1.00 0.00 O ATOM 774 CB PHE A 56 -1.085 -9.712 2.137 1.00 0.00 C ATOM 775 CG PHE A 56 -0.249 -10.765 1.442 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.607 -11.233 0.175 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.874 -11.287 2.087 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.164 -12.227 -0.437 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.645 -12.272 1.474 1.00 0.00 C ATOM 780 CZ PHE A 56 1.290 -12.747 0.208 1.00 0.00 C ATOM 0 H PHE A 56 -3.490 -10.237 1.161 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.827 -11.206 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.480 -9.000 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.475 -9.145 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.473 -10.830 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.147 -10.925 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.112 -12.595 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.515 -12.668 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.883 -13.513 -0.270 1.00 0.00 H new ATOM 790 N THR A 57 -4.204 -9.114 3.326 1.00 0.00 N ATOM 791 CA THR A 57 -5.050 -8.148 4.094 1.00 0.00 C ATOM 792 C THR A 57 -5.493 -8.756 5.428 1.00 0.00 C ATOM 793 O THR A 57 -5.534 -8.085 6.439 1.00 0.00 O ATOM 794 CB THR A 57 -6.310 -7.811 3.291 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.899 -9.012 2.816 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.957 -6.910 2.114 1.00 0.00 C ATOM 0 H THR A 57 -4.641 -9.493 2.486 1.00 0.00 H new ATOM 0 HA THR A 57 -4.455 -7.253 4.275 1.00 0.00 H new ATOM 0 HB THR A 57 -7.016 -7.287 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.839 -8.849 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.860 -6.677 1.550 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.512 -5.986 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.246 -7.421 1.465 1.00 0.00 H new ATOM 804 N ASP A 58 -5.854 -10.012 5.436 1.00 0.00 N ATOM 805 CA ASP A 58 -6.326 -10.644 6.698 1.00 0.00 C ATOM 806 C ASP A 58 -5.137 -11.159 7.499 1.00 0.00 C ATOM 807 O ASP A 58 -5.290 -11.700 8.573 1.00 0.00 O ATOM 808 CB ASP A 58 -7.273 -11.803 6.371 1.00 0.00 C ATOM 809 CG ASP A 58 -6.500 -12.925 5.684 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.459 -12.640 5.124 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.968 -14.052 5.719 1.00 0.00 O ATOM 0 H ASP A 58 -5.842 -10.626 4.622 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.858 -9.901 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.736 -12.175 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.078 -11.455 5.724 1.00 0.00 H new ATOM 816 N LYS A 59 -3.954 -10.991 6.977 1.00 0.00 N ATOM 817 CA LYS A 59 -2.735 -11.461 7.699 1.00 0.00 C ATOM 818 C LYS A 59 -1.993 -10.241 8.262 1.00 0.00 C ATOM 819 O LYS A 59 -1.524 -10.250 9.382 1.00 0.00 O ATOM 820 CB LYS A 59 -1.855 -12.239 6.712 1.00 0.00 C ATOM 821 CG LYS A 59 -2.756 -12.974 5.704 1.00 0.00 C ATOM 822 CD LYS A 59 -1.955 -14.015 4.895 1.00 0.00 C ATOM 823 CE LYS A 59 -1.315 -15.067 5.809 1.00 0.00 C ATOM 824 NZ LYS A 59 -1.203 -16.354 5.072 1.00 0.00 N ATOM 0 H LYS A 59 -3.777 -10.546 6.076 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.997 -12.118 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.184 -11.558 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.230 -12.953 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.570 -13.469 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.210 -12.253 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.614 -14.506 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.179 -13.511 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.329 -14.733 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.918 -15.200 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.769 -17.070 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.150 -16.673 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.611 -16.220 4.227 1.00 0.00 H new ATOM 838 N VAL A 60 -1.898 -9.186 7.494 1.00 0.00 N ATOM 839 CA VAL A 60 -1.203 -7.955 7.986 1.00 0.00 C ATOM 840 C VAL A 60 -2.175 -7.245 8.953 1.00 0.00 C ATOM 841 O VAL A 60 -3.350 -7.552 8.980 1.00 0.00 O ATOM 842 CB VAL A 60 -0.803 -7.094 6.744 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.685 -5.840 6.600 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.715 -6.702 6.741 1.00 0.00 C ATOM 0 H VAL A 60 -2.271 -9.122 6.547 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.282 -8.162 8.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.976 -7.731 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.371 -5.273 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.727 -6.139 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.583 -5.219 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.935 -6.105 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.943 -6.122 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.324 -7.606 6.730 1.00 0.00 H new ATOM 854 N PRO A 61 -1.698 -6.353 9.796 1.00 0.00 N ATOM 855 CA PRO A 61 -2.570 -5.681 10.804 1.00 0.00 C ATOM 856 C PRO A 61 -3.753 -4.919 10.177 1.00 0.00 C ATOM 857 O PRO A 61 -3.594 -3.950 9.463 1.00 0.00 O ATOM 858 CB PRO A 61 -1.628 -4.750 11.600 1.00 0.00 C ATOM 859 CG PRO A 61 -0.323 -4.708 10.848 1.00 0.00 C ATOM 860 CD PRO A 61 -0.302 -5.894 9.868 1.00 0.00 C ATOM 0 HA PRO A 61 -3.054 -6.416 11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.056 -3.751 11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.479 -5.124 12.613 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.224 -3.766 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.518 -4.770 11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.064 -5.589 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.357 -6.687 10.222 1.00 0.00 H new ATOM 868 N ALA A 62 -4.941 -5.383 10.471 1.00 0.00 N ATOM 869 CA ALA A 62 -6.175 -4.769 9.950 1.00 0.00 C ATOM 870 C ALA A 62 -6.123 -3.260 10.091 1.00 0.00 C ATOM 871 O ALA A 62 -5.607 -2.707 11.044 1.00 0.00 O ATOM 872 CB ALA A 62 -7.364 -5.297 10.749 1.00 0.00 C ATOM 0 H ALA A 62 -5.099 -6.191 11.073 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.276 -5.022 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.283 -4.849 10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.419 -6.381 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.239 -5.039 11.801 1.00 0.00 H new ATOM 878 N ALA A 63 -6.674 -2.613 9.132 1.00 0.00 N ATOM 879 CA ALA A 63 -6.711 -1.121 9.127 1.00 0.00 C ATOM 880 C ALA A 63 -7.653 -0.615 10.222 1.00 0.00 C ATOM 881 O ALA A 63 -8.767 -1.080 10.372 1.00 0.00 O ATOM 882 CB ALA A 63 -7.219 -0.623 7.769 1.00 0.00 C ATOM 0 H ALA A 63 -7.116 -3.052 8.324 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.704 -0.745 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.245 0.467 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.551 -0.971 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.222 -1.010 7.592 1.00 0.00 H new ATOM 888 N ASN A 64 -7.199 0.323 11.007 1.00 0.00 N ATOM 889 CA ASN A 64 -8.065 0.840 12.101 1.00 0.00 C ATOM 890 C ASN A 64 -9.168 1.727 11.522 1.00 0.00 C ATOM 891 O ASN A 64 -9.213 2.006 10.343 1.00 0.00 O ATOM 892 CB ASN A 64 -7.247 1.634 13.126 1.00 0.00 C ATOM 893 CG ASN A 64 -6.558 2.819 12.456 1.00 0.00 C ATOM 894 OD1 ASN A 64 -7.213 3.716 11.979 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.254 2.865 12.400 1.00 0.00 N ATOM 0 H ASN A 64 -6.275 0.750 10.939 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.514 -0.014 12.608 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.899 1.988 13.925 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.502 0.985 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.790 3.657 11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.699 2.109 12.802 1.00 0.00 H new ATOM 902 N GLU A 65 -10.083 2.122 12.353 1.00 0.00 N ATOM 903 CA GLU A 65 -11.243 2.948 11.897 1.00 0.00 C ATOM 904 C GLU A 65 -10.813 4.323 11.385 1.00 0.00 C ATOM 905 O GLU A 65 -11.608 5.034 10.801 1.00 0.00 O ATOM 906 CB GLU A 65 -12.211 3.135 13.065 1.00 0.00 C ATOM 907 CG GLU A 65 -11.518 3.913 14.192 1.00 0.00 C ATOM 908 CD GLU A 65 -12.412 3.914 15.432 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.620 3.917 15.262 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.873 3.911 16.522 1.00 0.00 O ATOM 0 H GLU A 65 -10.082 1.906 13.350 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.720 2.420 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.099 3.672 12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.545 2.165 13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.555 3.458 14.425 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.318 4.936 13.873 1.00 0.00 H new ATOM 917 N ARG A 66 -9.593 4.734 11.590 1.00 0.00 N ATOM 918 CA ARG A 66 -9.188 6.076 11.108 1.00 0.00 C ATOM 919 C ARG A 66 -9.048 6.051 9.579 1.00 0.00 C ATOM 920 O ARG A 66 -9.444 6.970 8.895 1.00 0.00 O ATOM 921 CB ARG A 66 -7.838 6.452 11.730 1.00 0.00 C ATOM 922 CG ARG A 66 -7.846 6.156 13.248 1.00 0.00 C ATOM 923 CD ARG A 66 -6.416 6.178 13.785 1.00 0.00 C ATOM 924 NE ARG A 66 -5.917 7.579 13.840 1.00 0.00 N ATOM 925 CZ ARG A 66 -4.659 7.807 14.105 1.00 0.00 C ATOM 926 NH1 ARG A 66 -3.825 6.807 14.208 1.00 0.00 N ATOM 927 NH2 ARG A 66 -4.232 9.029 14.263 1.00 0.00 N ATOM 0 H ARG A 66 -8.866 4.201 12.067 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.943 6.808 11.394 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.038 5.890 11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.633 7.509 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.452 6.897 13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.300 5.183 13.436 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.385 5.732 14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.769 5.577 13.146 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.555 8.357 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.157 5.851 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.842 6.982 14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.882 9.811 14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.248 9.203 14.470 1.00 0.00 H new ATOM 941 N GLU A 67 -8.490 4.998 9.047 1.00 0.00 N ATOM 942 CA GLU A 67 -8.316 4.900 7.566 1.00 0.00 C ATOM 943 C GLU A 67 -9.660 4.627 6.889 1.00 0.00 C ATOM 944 O GLU A 67 -9.932 5.122 5.820 1.00 0.00 O ATOM 945 CB GLU A 67 -7.346 3.762 7.248 1.00 0.00 C ATOM 946 CG GLU A 67 -6.012 3.994 7.970 1.00 0.00 C ATOM 947 CD GLU A 67 -6.134 3.568 9.440 1.00 0.00 C ATOM 948 OE1 GLU A 67 -7.131 2.955 9.775 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.222 3.855 10.196 1.00 0.00 O ATOM 0 H GLU A 67 -8.145 4.197 9.575 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.919 5.844 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.776 2.809 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.181 3.703 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.220 3.426 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.733 5.046 7.909 1.00 0.00 H new ATOM 956 N ILE A 68 -10.510 3.849 7.508 1.00 0.00 N ATOM 957 CA ILE A 68 -11.831 3.564 6.873 1.00 0.00 C ATOM 958 C ILE A 68 -12.474 4.888 6.464 1.00 0.00 C ATOM 959 O ILE A 68 -13.143 4.986 5.449 1.00 0.00 O ATOM 960 CB ILE A 68 -12.733 2.849 7.883 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.027 1.586 8.407 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.055 2.471 7.205 1.00 0.00 C ATOM 963 CD1 ILE A 68 -11.630 0.658 7.250 1.00 0.00 C ATOM 0 H ILE A 68 -10.351 3.405 8.412 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.697 2.930 5.996 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.938 3.512 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.139 1.869 8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.686 1.055 9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.699 1.962 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.552 3.373 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.855 1.809 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.133 -0.227 7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.523 0.357 6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.952 1.184 6.578 1.00 0.00 H new ATOM 975 N GLY A 69 -12.272 5.908 7.247 1.00 0.00 N ATOM 976 CA GLY A 69 -12.865 7.236 6.914 1.00 0.00 C ATOM 977 C GLY A 69 -12.073 7.911 5.791 1.00 0.00 C ATOM 978 O GLY A 69 -12.630 8.633 4.987 1.00 0.00 O ATOM 0 H GLY A 69 -11.721 5.882 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.904 7.111 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.867 7.872 7.799 1.00 0.00 H new ATOM 982 N MET A 70 -10.789 7.670 5.693 1.00 0.00 N ATOM 983 CA MET A 70 -9.996 8.286 4.591 1.00 0.00 C ATOM 984 C MET A 70 -10.167 7.412 3.351 1.00 0.00 C ATOM 985 O MET A 70 -10.198 7.884 2.231 1.00 0.00 O ATOM 986 CB MET A 70 -8.513 8.339 4.985 1.00 0.00 C ATOM 987 CG MET A 70 -8.256 9.553 5.885 1.00 0.00 C ATOM 988 SD MET A 70 -9.124 9.334 7.468 1.00 0.00 S ATOM 989 CE MET A 70 -7.703 8.832 8.474 1.00 0.00 C ATOM 0 H MET A 70 -10.259 7.074 6.329 1.00 0.00 H new ATOM 0 HA MET A 70 -10.340 9.302 4.395 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.233 7.423 5.506 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.892 8.400 4.091 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.186 9.670 6.058 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.600 10.463 5.393 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.026 8.664 9.502 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.279 7.912 8.072 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.948 9.618 8.455 1.00 0.00 H new ATOM 999 N LEU A 71 -10.297 6.134 3.563 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.488 5.187 2.430 1.00 0.00 C ATOM 1001 C LEU A 71 -11.790 5.547 1.715 1.00 0.00 C ATOM 1002 O LEU A 71 -11.901 5.427 0.515 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.560 3.761 3.004 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.135 3.180 3.196 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.138 2.155 4.330 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.666 2.472 1.915 1.00 0.00 C ATOM 0 H LEU A 71 -10.279 5.699 4.485 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.665 5.246 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.086 3.773 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.133 3.121 2.333 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.463 4.006 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.134 1.752 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.457 2.636 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.826 1.345 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.664 2.070 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.351 1.658 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.650 3.185 1.091 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.768 6.020 2.430 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.048 6.415 1.783 1.00 0.00 C ATOM 1020 C GLU A 72 -13.824 7.740 1.041 1.00 0.00 C ATOM 1021 O GLU A 72 -14.714 8.289 0.422 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.109 6.581 2.884 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.429 7.075 2.279 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.571 6.850 3.280 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.352 6.155 4.254 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -18.645 7.380 3.048 1.00 0.00 O ATOM 0 H GLU A 72 -12.737 6.151 3.441 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.386 5.662 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.267 5.630 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.757 7.289 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.353 8.134 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.636 6.544 1.350 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.624 8.258 1.134 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.288 9.566 0.483 1.00 0.00 C ATOM 1035 C CYS A 73 -11.303 9.373 -0.688 1.00 0.00 C ATOM 1036 O CYS A 73 -10.710 10.326 -1.145 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.662 10.493 1.554 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.625 12.024 1.700 1.00 0.00 S ATOM 0 H CYS A 73 -11.851 7.825 1.640 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.197 10.009 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.632 9.981 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.632 10.727 1.285 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.089 12.790 2.604 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.098 8.172 -1.161 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.127 7.987 -2.286 1.00 0.00 C ATOM 1046 C VAL A 74 -10.716 8.455 -3.617 1.00 0.00 C ATOM 1047 O VAL A 74 -11.902 8.687 -3.750 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.753 6.507 -2.390 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.110 6.060 -1.080 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.012 5.673 -2.640 1.00 0.00 C ATOM 0 H VAL A 74 -11.551 7.322 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.243 8.589 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.055 6.367 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.841 5.006 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.214 6.652 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.815 6.203 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.742 4.620 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.710 5.812 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.482 5.993 -3.570 1.00 0.00 H new ATOM 1060 N THR A 75 -9.868 8.615 -4.597 1.00 0.00 N ATOM 1061 CA THR A 75 -10.320 9.097 -5.940 1.00 0.00 C ATOM 1062 C THR A 75 -10.867 7.942 -6.794 1.00 0.00 C ATOM 1063 O THR A 75 -11.727 8.156 -7.627 1.00 0.00 O ATOM 1064 CB THR A 75 -9.109 9.750 -6.651 1.00 0.00 C ATOM 1065 OG1 THR A 75 -7.919 9.375 -5.976 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.230 11.278 -6.640 1.00 0.00 C ATOM 0 H THR A 75 -8.867 8.430 -4.526 1.00 0.00 H new ATOM 0 HA THR A 75 -11.126 9.819 -5.810 1.00 0.00 H new ATOM 0 HB THR A 75 -9.085 9.409 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.403 8.762 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.368 11.715 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.142 11.574 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.265 11.633 -5.610 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.370 6.731 -6.644 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.869 5.604 -7.504 1.00 0.00 C ATOM 1076 C ALA A 76 -11.900 4.754 -6.735 1.00 0.00 C ATOM 1077 O ALA A 76 -12.299 5.079 -5.636 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.675 4.742 -7.946 1.00 0.00 C ATOM 0 H ALA A 76 -9.648 6.477 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.364 6.011 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.030 3.922 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.975 5.354 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.173 4.338 -7.067 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.355 3.688 -7.338 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.394 2.806 -6.710 1.00 0.00 C ATOM 1086 C GLU A 77 -12.846 2.118 -5.468 1.00 0.00 C ATOM 1087 O GLU A 77 -11.871 1.413 -5.521 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.784 1.752 -7.776 1.00 0.00 C ATOM 1089 CG GLU A 77 -14.015 0.354 -7.162 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.692 -0.556 -8.189 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.156 -0.042 -9.200 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -14.733 -1.753 -7.960 1.00 0.00 O ATOM 0 H GLU A 77 -12.046 3.381 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.257 3.393 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.690 2.075 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.997 1.691 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.064 -0.078 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.636 0.436 -6.270 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.482 2.268 -4.342 1.00 0.00 N ATOM 1100 CA LEU A 78 -12.972 1.567 -3.140 1.00 0.00 C ATOM 1101 C LEU A 78 -13.444 0.130 -3.137 1.00 0.00 C ATOM 1102 O LEU A 78 -14.555 -0.197 -3.508 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.440 2.268 -1.857 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.546 1.833 -0.682 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.226 2.608 -0.711 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.263 2.105 0.644 1.00 0.00 C ATOM 0 H LEU A 78 -14.318 2.836 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.883 1.590 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.394 3.350 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.480 2.016 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.340 0.767 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.601 2.293 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.707 2.408 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.429 3.676 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.626 1.795 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.478 3.170 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.197 1.543 0.675 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.562 -0.721 -2.739 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.829 -2.166 -2.685 1.00 0.00 C ATOM 1120 C LYS A 79 -13.078 -2.549 -1.230 1.00 0.00 C ATOM 1121 O LYS A 79 -12.609 -1.879 -0.329 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.553 -2.835 -3.183 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.402 -2.655 -4.703 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.227 -3.713 -5.466 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.373 -4.957 -5.736 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.293 -4.613 -6.703 1.00 0.00 N ATOM 0 H LYS A 79 -11.624 -0.460 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.692 -2.461 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.690 -2.407 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.574 -3.897 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.730 -1.656 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.351 -2.737 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.107 -3.987 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.584 -3.296 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.940 -5.324 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.994 -5.758 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.039 -5.457 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.627 -3.867 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.458 -4.274 -6.184 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.784 -3.613 -0.976 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.038 -4.043 0.419 1.00 0.00 C ATOM 1142 C PRO A 80 -12.706 -4.245 1.142 1.00 0.00 C ATOM 1143 O PRO A 80 -12.605 -4.085 2.341 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.822 -5.366 0.280 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.631 -5.795 -1.142 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.404 -4.517 -1.952 1.00 0.00 C ATOM 0 HA PRO A 80 -14.597 -3.312 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.446 -6.120 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.878 -5.223 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.779 -6.469 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.505 -6.335 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.754 -4.693 -2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.339 -4.113 -2.339 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.681 -4.591 0.404 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.331 -4.810 1.007 1.00 0.00 C ATOM 1156 C ASN A 81 -9.397 -3.640 0.651 1.00 0.00 C ATOM 1157 O ASN A 81 -8.192 -3.785 0.685 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.752 -6.158 0.490 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.748 -5.950 -0.656 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.570 -5.777 -0.419 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.164 -5.957 -1.886 1.00 0.00 N ATOM 0 H ASN A 81 -11.724 -4.733 -0.605 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.416 -4.855 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.262 -6.681 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.567 -6.795 0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.502 -5.817 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.153 -6.102 -2.089 1.00 0.00 H new ATOM 1168 N SER A 82 -9.910 -2.476 0.322 1.00 0.00 N ATOM 1169 CA SER A 82 -9.000 -1.346 0.002 1.00 0.00 C ATOM 1170 C SER A 82 -8.125 -1.066 1.218 1.00 0.00 C ATOM 1171 O SER A 82 -8.556 -1.199 2.352 1.00 0.00 O ATOM 1172 CB SER A 82 -9.814 -0.103 -0.306 1.00 0.00 C ATOM 1173 OG SER A 82 -10.498 -0.306 -1.528 1.00 0.00 O ATOM 0 H SER A 82 -10.907 -2.268 0.264 1.00 0.00 H new ATOM 0 HA SER A 82 -8.387 -1.604 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.524 0.094 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.163 0.768 -0.376 1.00 0.00 H new ATOM 0 HG SER A 82 -9.848 -0.460 -2.245 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.893 -0.718 1.000 1.00 0.00 N ATOM 1180 CA ARG A 83 -5.959 -0.468 2.148 1.00 0.00 C ATOM 1181 C ARG A 83 -5.133 0.785 1.904 1.00 0.00 C ATOM 1182 O ARG A 83 -5.095 1.326 0.816 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.002 -1.652 2.283 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.755 -2.883 2.801 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.026 -2.789 4.327 1.00 0.00 C ATOM 1186 NE ARG A 83 -5.617 -4.080 4.951 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.322 -4.157 6.222 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.272 -3.081 6.956 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -5.046 -5.317 6.759 1.00 0.00 N ATOM 0 H ARG A 83 -6.482 -0.593 0.075 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.551 -0.341 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.548 -1.874 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.191 -1.398 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.701 -2.982 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.175 -3.781 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.466 -1.962 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.082 -2.593 4.515 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.566 -4.920 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.464 -2.170 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.041 -3.150 7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.061 -6.161 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.816 -5.378 7.751 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.444 1.226 2.923 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.567 2.432 2.800 1.00 0.00 C ATOM 1205 C LEU A 84 -2.115 1.979 2.942 1.00 0.00 C ATOM 1206 O LEU A 84 -1.736 1.341 3.899 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.919 3.459 3.881 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.365 3.974 3.717 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.571 5.168 4.654 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.638 4.422 2.270 1.00 0.00 C ATOM 0 H LEU A 84 -4.451 0.797 3.848 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.715 2.908 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.801 3.008 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.224 4.297 3.829 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.052 3.164 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.589 5.542 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.405 4.855 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.866 5.958 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.664 4.779 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.952 5.225 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.492 3.579 1.594 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.318 2.273 1.963 1.00 0.00 N ATOM 1223 CA CYS A 85 0.106 1.838 1.958 1.00 0.00 C ATOM 1224 C CYS A 85 0.913 2.415 3.133 1.00 0.00 C ATOM 1225 O CYS A 85 2.100 2.169 3.231 1.00 0.00 O ATOM 1226 CB CYS A 85 0.731 2.297 0.642 1.00 0.00 C ATOM 1227 SG CYS A 85 2.376 1.573 0.457 1.00 0.00 S ATOM 0 H CYS A 85 -1.598 2.811 1.143 1.00 0.00 H new ATOM 0 HA CYS A 85 0.131 0.753 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.098 2.001 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.798 3.385 0.621 1.00 0.00 H new ATOM 0 HG CYS A 85 2.900 1.967 -0.665 1.00 0.00 H new ATOM 1233 N CYS A 86 0.313 3.174 4.035 1.00 0.00 N ATOM 1234 CA CYS A 86 1.110 3.742 5.181 1.00 0.00 C ATOM 1235 C CYS A 86 0.805 3.002 6.495 1.00 0.00 C ATOM 1236 O CYS A 86 1.665 2.872 7.343 1.00 0.00 O ATOM 1237 CB CYS A 86 0.800 5.233 5.365 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.984 5.502 5.486 1.00 0.00 S ATOM 0 H CYS A 86 -0.677 3.420 4.027 1.00 0.00 H new ATOM 0 HA CYS A 86 2.165 3.612 4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.291 5.604 6.265 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.203 5.800 4.526 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.461 5.783 4.310 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.399 2.521 6.683 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.723 1.799 7.961 1.00 0.00 C ATOM 1245 C GLN A 87 -0.493 0.284 7.787 1.00 0.00 C ATOM 1246 O GLN A 87 -0.868 -0.516 8.618 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.196 2.079 8.344 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.340 2.227 9.862 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.783 0.982 10.553 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.338 -0.092 10.438 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.699 1.081 11.273 1.00 0.00 N ATOM 0 H GLN A 87 -1.168 2.594 6.016 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.070 2.156 8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.539 2.988 7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.830 1.266 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.807 3.114 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.389 2.364 10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.232 1.983 11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.319 0.257 11.738 1.00 0.00 H new ATOM 1260 N ILE A 88 0.108 -0.101 6.696 1.00 0.00 N ATOM 1261 CA ILE A 88 0.361 -1.558 6.424 1.00 0.00 C ATOM 1262 C ILE A 88 1.850 -1.869 6.711 1.00 0.00 C ATOM 1263 O ILE A 88 2.732 -1.325 6.092 1.00 0.00 O ATOM 1264 CB ILE A 88 -0.011 -1.851 4.946 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.530 -2.121 4.804 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.753 -3.082 4.445 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.368 -1.141 5.634 1.00 0.00 C ATOM 0 H ILE A 88 0.441 0.533 5.969 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.247 -2.194 7.067 1.00 0.00 H new ATOM 0 HB ILE A 88 0.258 -0.976 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.815 -2.044 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.748 -3.141 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.485 -3.279 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.825 -2.898 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.493 -3.946 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.426 -1.367 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.103 -1.237 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.171 -0.122 5.301 1.00 0.00 H new ATOM 1279 N ILE A 89 2.115 -2.729 7.675 1.00 0.00 N ATOM 1280 CA ILE A 89 3.533 -3.071 8.058 1.00 0.00 C ATOM 1281 C ILE A 89 4.004 -4.362 7.388 1.00 0.00 C ATOM 1282 O ILE A 89 3.386 -5.399 7.523 1.00 0.00 O ATOM 1283 CB ILE A 89 3.591 -3.320 9.572 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.037 -2.110 10.340 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.037 -3.594 10.004 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.781 -0.831 9.944 1.00 0.00 C ATOM 0 H ILE A 89 1.402 -3.214 8.219 1.00 0.00 H new ATOM 0 HA ILE A 89 4.166 -2.241 7.745 1.00 0.00 H new ATOM 0 HB ILE A 89 2.977 -4.190 9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.973 -1.997 10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.136 -2.277 11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.068 -3.769 11.079 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.412 -4.474 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.659 -2.733 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.373 0.014 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.841 -0.940 10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.659 -0.655 8.875 1.00 0.00 H new ATOM 1298 N MET A 90 5.088 -4.316 6.655 1.00 0.00 N ATOM 1299 CA MET A 90 5.571 -5.551 5.987 1.00 0.00 C ATOM 1300 C MET A 90 6.275 -6.471 6.982 1.00 0.00 C ATOM 1301 O MET A 90 6.813 -6.042 7.982 1.00 0.00 O ATOM 1302 CB MET A 90 6.535 -5.196 4.841 1.00 0.00 C ATOM 1303 CG MET A 90 6.422 -6.272 3.768 1.00 0.00 C ATOM 1304 SD MET A 90 4.808 -6.106 2.954 1.00 0.00 S ATOM 1305 CE MET A 90 4.142 -7.748 3.336 1.00 0.00 C ATOM 0 H MET A 90 5.652 -3.481 6.494 1.00 0.00 H new ATOM 0 HA MET A 90 4.705 -6.074 5.581 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.288 -4.219 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.558 -5.135 5.211 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.226 -6.167 3.040 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.522 -7.262 4.212 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.089 -7.788 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.694 -8.504 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.241 -7.941 4.404 1.00 0.00 H new ATOM 1315 N THR A 91 6.277 -7.738 6.687 1.00 0.00 N ATOM 1316 CA THR A 91 6.945 -8.742 7.563 1.00 0.00 C ATOM 1317 C THR A 91 7.352 -9.928 6.684 1.00 0.00 C ATOM 1318 O THR A 91 6.710 -10.203 5.692 1.00 0.00 O ATOM 1319 CB THR A 91 5.974 -9.221 8.646 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.692 -9.431 8.075 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.874 -8.177 9.753 1.00 0.00 C ATOM 0 H THR A 91 5.834 -8.131 5.857 1.00 0.00 H new ATOM 0 HA THR A 91 7.816 -8.301 8.048 1.00 0.00 H new ATOM 0 HB THR A 91 6.343 -10.156 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.072 -9.739 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.182 -8.525 10.520 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.858 -8.021 10.196 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.511 -7.238 9.336 1.00 0.00 H new ATOM 1329 N PRO A 92 8.411 -10.620 7.018 1.00 0.00 N ATOM 1330 CA PRO A 92 8.891 -11.772 6.201 1.00 0.00 C ATOM 1331 C PRO A 92 7.802 -12.839 5.993 1.00 0.00 C ATOM 1332 O PRO A 92 7.632 -13.357 4.912 1.00 0.00 O ATOM 1333 CB PRO A 92 10.088 -12.333 7.004 1.00 0.00 C ATOM 1334 CG PRO A 92 9.994 -11.722 8.371 1.00 0.00 C ATOM 1335 CD PRO A 92 9.262 -10.394 8.197 1.00 0.00 C ATOM 0 HA PRO A 92 9.168 -11.465 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.045 -13.421 7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.033 -12.075 6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.453 -12.378 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.985 -11.567 8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.670 -10.144 9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.958 -9.570 8.037 1.00 0.00 H new ATOM 1343 N GLU A 93 7.069 -13.174 7.018 1.00 0.00 N ATOM 1344 CA GLU A 93 6.005 -14.208 6.856 1.00 0.00 C ATOM 1345 C GLU A 93 5.038 -13.758 5.749 1.00 0.00 C ATOM 1346 O GLU A 93 4.496 -14.558 5.013 1.00 0.00 O ATOM 1347 CB GLU A 93 5.249 -14.392 8.181 1.00 0.00 C ATOM 1348 CG GLU A 93 5.223 -13.068 8.956 1.00 0.00 C ATOM 1349 CD GLU A 93 4.190 -13.149 10.077 1.00 0.00 C ATOM 1350 OE1 GLU A 93 3.101 -13.636 9.821 1.00 0.00 O ATOM 1351 OE2 GLU A 93 4.507 -12.725 11.178 1.00 0.00 O ATOM 0 H GLU A 93 7.158 -12.781 7.955 1.00 0.00 H new ATOM 0 HA GLU A 93 6.455 -15.162 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.231 -14.729 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.731 -15.165 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.209 -12.859 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.980 -12.246 8.283 1.00 0.00 H new ATOM 1358 N LEU A 94 4.813 -12.481 5.656 1.00 0.00 N ATOM 1359 CA LEU A 94 3.872 -11.942 4.625 1.00 0.00 C ATOM 1360 C LEU A 94 4.610 -11.686 3.309 1.00 0.00 C ATOM 1361 O LEU A 94 4.102 -11.041 2.420 1.00 0.00 O ATOM 1362 CB LEU A 94 3.277 -10.645 5.187 1.00 0.00 C ATOM 1363 CG LEU A 94 2.497 -10.925 6.478 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.682 -9.692 6.830 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.546 -12.120 6.340 1.00 0.00 C ATOM 0 H LEU A 94 5.243 -11.775 6.254 1.00 0.00 H new ATOM 0 HA LEU A 94 3.079 -12.658 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.074 -9.929 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.617 -10.191 4.448 1.00 0.00 H new ATOM 0 HG LEU A 94 3.220 -11.164 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.121 -9.876 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.351 -8.844 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.989 -9.470 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.018 -12.276 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.824 -11.921 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.119 -13.014 6.093 1.00 0.00 H new ATOM 1377 N ASP A 95 5.801 -12.188 3.186 1.00 0.00 N ATOM 1378 CA ASP A 95 6.573 -11.988 1.930 1.00 0.00 C ATOM 1379 C ASP A 95 5.773 -12.502 0.721 1.00 0.00 C ATOM 1380 O ASP A 95 5.165 -13.552 0.764 1.00 0.00 O ATOM 1381 CB ASP A 95 7.888 -12.765 2.035 1.00 0.00 C ATOM 1382 CG ASP A 95 7.584 -14.238 2.315 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.454 -14.533 2.666 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.487 -15.045 2.169 1.00 0.00 O ATOM 0 H ASP A 95 6.278 -12.732 3.905 1.00 0.00 H new ATOM 0 HA ASP A 95 6.769 -10.925 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.456 -12.669 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.506 -12.351 2.832 1.00 0.00 H new ATOM 1389 N GLY A 96 5.788 -11.755 -0.348 1.00 0.00 N ATOM 1390 CA GLY A 96 5.063 -12.150 -1.595 1.00 0.00 C ATOM 1391 C GLY A 96 3.845 -11.244 -1.778 1.00 0.00 C ATOM 1392 O GLY A 96 3.052 -11.428 -2.682 1.00 0.00 O ATOM 0 H GLY A 96 6.283 -10.866 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.725 -12.067 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.750 -13.192 -1.533 1.00 0.00 H new ATOM 1396 N ILE A 97 3.651 -10.324 -0.880 1.00 0.00 N ATOM 1397 CA ILE A 97 2.430 -9.456 -0.939 1.00 0.00 C ATOM 1398 C ILE A 97 2.305 -8.715 -2.276 1.00 0.00 C ATOM 1399 O ILE A 97 3.244 -8.141 -2.778 1.00 0.00 O ATOM 1400 CB ILE A 97 2.422 -8.478 0.250 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.037 -7.807 0.375 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.536 -7.426 0.142 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.792 -6.704 -0.659 1.00 0.00 C ATOM 0 H ILE A 97 4.282 -10.129 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 97 1.556 -10.104 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 97 2.620 -9.053 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.264 -8.568 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.937 -7.384 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.491 -6.759 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.505 -7.924 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.403 -6.848 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.201 -6.279 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.543 -5.922 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.859 -7.124 -1.662 1.00 0.00 H new ATOM 1415 N VAL A 98 1.127 -8.754 -2.860 1.00 0.00 N ATOM 1416 CA VAL A 98 0.891 -8.078 -4.171 1.00 0.00 C ATOM 1417 C VAL A 98 0.015 -6.834 -3.964 1.00 0.00 C ATOM 1418 O VAL A 98 -1.097 -6.924 -3.479 1.00 0.00 O ATOM 1419 CB VAL A 98 0.177 -9.059 -5.097 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.268 -8.564 -6.541 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.838 -10.438 -4.987 1.00 0.00 C ATOM 0 H VAL A 98 0.312 -9.232 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 98 1.841 -7.770 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.871 -9.132 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.243 -9.267 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.203 -7.584 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.315 -8.488 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.329 -11.139 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.886 -10.363 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.769 -10.793 -3.959 1.00 0.00 H new ATOM 1431 N VAL A 99 0.515 -5.673 -4.305 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.261 -4.405 -4.128 1.00 0.00 C ATOM 1433 C VAL A 99 -0.745 -3.908 -5.492 1.00 0.00 C ATOM 1434 O VAL A 99 0.021 -3.773 -6.423 1.00 0.00 O ATOM 1435 CB VAL A 99 0.647 -3.317 -3.523 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.219 -2.242 -2.861 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.594 -3.903 -2.471 1.00 0.00 C ATOM 0 H VAL A 99 1.445 -5.547 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.107 -4.602 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 99 1.243 -2.888 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.422 -1.471 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.876 -1.794 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.820 -2.694 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.221 -3.110 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.011 -4.354 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.225 -4.663 -2.932 1.00 0.00 H new ATOM 1447 N ASP A 100 -2.010 -3.652 -5.608 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.589 -3.176 -6.897 1.00 0.00 C ATOM 1449 C ASP A 100 -2.848 -1.668 -6.824 1.00 0.00 C ATOM 1450 O ASP A 100 -3.555 -1.189 -5.953 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.893 -3.956 -7.161 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.639 -5.117 -8.134 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -3.016 -4.884 -9.160 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -4.073 -6.219 -7.840 1.00 0.00 O ATOM 0 H ASP A 100 -2.686 -3.753 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.895 -3.353 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.289 -4.341 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.647 -3.286 -7.574 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.250 -0.919 -7.720 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.412 0.569 -7.718 1.00 0.00 C ATOM 1461 C VAL A 101 -3.318 1.003 -8.895 1.00 0.00 C ATOM 1462 O VAL A 101 -3.130 0.558 -10.011 1.00 0.00 O ATOM 1463 CB VAL A 101 -1.023 1.199 -7.896 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -1.053 2.670 -7.462 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.001 0.423 -7.041 1.00 0.00 C ATOM 0 H VAL A 101 -1.650 -1.281 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.868 0.892 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.735 1.149 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.063 3.108 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.774 3.215 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.343 2.734 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.987 0.866 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.293 0.472 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.026 -0.618 -7.362 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.293 1.863 -8.663 1.00 0.00 N ATOM 1476 CA PRO A 102 -5.222 2.343 -9.738 1.00 0.00 C ATOM 1477 C PRO A 102 -4.642 3.481 -10.600 1.00 0.00 C ATOM 1478 O PRO A 102 -3.519 3.909 -10.427 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.411 2.875 -8.939 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.788 3.420 -7.698 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.640 2.470 -7.357 1.00 0.00 C ATOM 0 HA PRO A 102 -5.449 1.546 -10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.950 3.647 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.128 2.085 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.422 4.434 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.512 3.466 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.793 3.003 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.945 1.715 -6.632 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.444 3.981 -11.503 1.00 0.00 N ATOM 1490 CA ASP A 103 -5.008 5.110 -12.375 1.00 0.00 C ATOM 1491 C ASP A 103 -5.194 6.416 -11.601 1.00 0.00 C ATOM 1492 O ASP A 103 -4.609 7.432 -11.921 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.861 5.141 -13.642 1.00 0.00 C ATOM 1494 CG ASP A 103 -7.342 5.063 -13.265 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -7.685 4.214 -12.464 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -8.110 5.853 -13.796 1.00 0.00 O ATOM 0 H ASP A 103 -6.394 3.651 -11.675 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.962 4.984 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.665 6.055 -14.202 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.596 4.307 -14.292 1.00 0.00 H new ATOM 1501 N ARG A 104 -6.001 6.382 -10.575 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.245 7.591 -9.734 1.00 0.00 C ATOM 1503 C ARG A 104 -5.940 7.169 -8.312 1.00 0.00 C ATOM 1504 O ARG A 104 -6.620 6.322 -7.765 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.729 8.052 -9.846 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.384 7.556 -11.171 1.00 0.00 C ATOM 1507 CD ARG A 104 -9.242 8.660 -11.795 1.00 0.00 C ATOM 1508 NE ARG A 104 -8.340 9.519 -12.602 1.00 0.00 N ATOM 1509 CZ ARG A 104 -8.823 10.456 -13.380 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -10.107 10.704 -13.393 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -8.012 11.152 -14.132 1.00 0.00 N ATOM 0 H ARG A 104 -6.512 5.551 -10.278 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.625 8.428 -10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.294 7.672 -8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.777 9.140 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.609 7.250 -11.874 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.999 6.678 -10.972 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.025 8.231 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.738 9.245 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.331 9.378 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.736 10.167 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.479 11.434 -14.000 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.010 10.964 -14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.381 11.883 -14.740 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.938 7.736 -7.687 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.601 7.332 -6.291 1.00 0.00 C ATOM 1527 C GLN A 105 -4.701 8.546 -5.372 1.00 0.00 C ATOM 1528 O GLN A 105 -4.394 8.468 -4.193 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.166 6.798 -6.263 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.208 7.860 -6.815 1.00 0.00 C ATOM 1531 CD GLN A 105 -0.833 7.234 -7.050 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.732 6.147 -7.581 1.00 0.00 O ATOM 1533 NE2 GLN A 105 0.237 7.878 -6.674 1.00 0.00 N ATOM 0 H GLN A 105 -4.340 8.461 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.294 6.562 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.885 6.536 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.095 5.887 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.598 8.267 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.126 8.691 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.152 8.791 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.159 7.468 -6.826 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.106 9.672 -5.900 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.209 10.906 -5.067 1.00 0.00 C ATOM 1544 C TRP A 106 -3.802 11.477 -4.876 1.00 0.00 C ATOM 1545 O TRP A 106 -3.625 12.659 -5.119 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.857 10.571 -3.703 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.653 11.741 -3.196 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -8.006 11.785 -3.098 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -6.170 13.027 -2.707 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -8.376 13.014 -2.582 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -7.281 13.812 -2.326 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.887 13.582 -2.560 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -7.127 15.102 -1.818 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -4.727 14.879 -2.047 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -5.845 15.639 -1.680 1.00 0.00 C ATOM 1556 OXT TRP A 106 -2.924 10.721 -4.495 1.00 0.00 O ATOM 0 H TRP A 106 -5.371 9.790 -6.878 1.00 0.00 H new ATOM 0 HA TRP A 106 -5.838 11.646 -5.562 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.505 9.700 -3.806 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.084 10.310 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.683 10.991 -3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.341 13.296 -2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.018 13.007 -2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -7.993 15.681 -1.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -3.736 15.293 -1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -5.716 16.638 -1.291 1.00 0.00 H new