USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 654 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 87 THR OG1 : rot 115:sc= -2.74! USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.318 K(o=-3.1,f=-4.5) USER MOD Set 2.1: A 66 GLN : amide:sc= -1.39 K(o=-1.1,f=-8.1!) USER MOD Set 2.2: A 69 ASN : amide:sc= 0.316 K(o=-1.1,f=-2.8) USER MOD Set 3.1: A 56 GLN : amide:sc= -15.1! C(o=-20!,f=-24!) USER MOD Set 3.2: A 59 GLN : amide:sc= -4.96! C(o=-20!,f=-23!) USER MOD Set 3.3: A 67 MET CE :methyl -156:sc= -0.177 (180deg=-0.794) USER MOD Set 4.1: A 53 THR OG1 : rot 98:sc= 1.22 USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 1.07 USER MOD Set 5.1: A 37 CYS SG : rot -110:sc= 1.91 USER MOD Set 5.2: A 42 CYS SG : rot 58:sc= 0.408 USER MOD Set 5.3: A 45 CYS SG : rot -117:sc= -0.485! USER MOD Set 5.4: A 75 CYS SG : rot 180:sc= -5.56! USER MOD Set 6.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl -125:sc= -0.196 (180deg=-1.75!) USER MOD Single : A 0 MET N :NH3+ 150:sc= -0.19 (180deg=-0.715) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0218 (180deg=-0.251) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= -0.0144 (180deg=-0.175) USER MOD Single : A 7 THR OG1 : rot -60:sc= 1.56 USER MOD Single : A 9 SER OG : rot -35:sc= 0.243 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.134 (180deg=-0.606) USER MOD Single : A 16 CYS SG : rot -45:sc= -7.77! USER MOD Single : A 20 THR OG1 : rot 45:sc= 0.448 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 140:sc= 0 USER MOD Single : A 44 SER OG : rot 72:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= 1.29 (180deg=-0.0254!) USER MOD Single : A 57 SER OG : rot -95:sc= 0.596 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -23:sc= -0.188 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.023 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.32! USER MOD Single : A 84 THR OG1 : rot -140:sc= -1.89! USER MOD Single : A 86 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.036) USER MOD Single : A 89 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -13.846 3.522 8.044 1.00 0.00 N ATOM 2 CA MET A 0 -12.979 3.465 6.877 1.00 0.00 C ATOM 3 C MET A 0 -12.397 4.829 6.568 1.00 0.00 C ATOM 4 O MET A 0 -12.916 5.857 7.004 1.00 0.00 O ATOM 5 CB MET A 0 -13.734 2.928 5.663 1.00 0.00 C ATOM 6 CG MET A 0 -15.017 3.661 5.406 1.00 0.00 C ATOM 7 SD MET A 0 -16.077 2.837 4.205 1.00 0.00 S ATOM 8 CE MET A 0 -16.626 1.418 5.150 1.00 0.00 C ATOM 0 H1 MET A 0 -14.592 2.802 7.958 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.286 3.340 8.901 1.00 0.00 H new ATOM 0 H3 MET A 0 -14.280 4.465 8.108 1.00 0.00 H new ATOM 0 HA MET A 0 -12.160 2.783 7.105 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.096 3.002 4.782 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.949 1.870 5.813 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.560 3.771 6.345 1.00 0.00 H new ATOM 0 HG3 MET A 0 -14.789 4.666 5.051 1.00 0.00 H new ATOM 0 HE1 MET A 0 -16.396 0.505 4.602 1.00 0.00 H new ATOM 0 HE2 MET A 0 -16.115 1.402 6.113 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.702 1.483 5.312 1.00 0.00 H new ATOM 18 N TYR A 1 -11.319 4.815 5.816 1.00 0.00 N ATOM 19 CA TYR A 1 -10.591 6.025 5.491 1.00 0.00 C ATOM 20 C TYR A 1 -10.517 6.199 3.984 1.00 0.00 C ATOM 21 O TYR A 1 -10.547 5.217 3.236 1.00 0.00 O ATOM 22 CB TYR A 1 -9.179 5.951 6.066 1.00 0.00 C ATOM 23 CG TYR A 1 -9.115 5.714 7.561 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.250 4.436 8.104 1.00 0.00 C ATOM 25 CD2 TYR A 1 -8.902 6.773 8.434 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.168 4.232 9.467 1.00 0.00 C ATOM 27 CE2 TYR A 1 -8.818 6.570 9.797 1.00 0.00 C ATOM 28 CZ TYR A 1 -8.948 5.300 10.307 1.00 0.00 C ATOM 29 OH TYR A 1 -8.858 5.095 11.665 1.00 0.00 O ATOM 0 H TYR A 1 -10.921 3.967 5.412 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.114 6.878 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.638 5.151 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.659 6.881 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.421 3.595 7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.800 7.773 8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.276 3.237 9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.651 7.406 10.460 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.700 5.951 12.115 1.00 0.00 H new ATOM 39 N LYS A 2 -10.423 7.443 3.540 1.00 0.00 N ATOM 40 CA LYS A 2 -10.323 7.738 2.124 1.00 0.00 C ATOM 41 C LYS A 2 -8.875 7.730 1.677 1.00 0.00 C ATOM 42 O LYS A 2 -8.130 8.685 1.906 1.00 0.00 O ATOM 43 CB LYS A 2 -10.960 9.085 1.816 1.00 0.00 C ATOM 44 CG LYS A 2 -12.438 9.124 2.110 1.00 0.00 C ATOM 45 CD LYS A 2 -13.222 8.222 1.172 1.00 0.00 C ATOM 46 CE LYS A 2 -14.720 8.335 1.407 1.00 0.00 C ATOM 47 NZ LYS A 2 -15.229 9.702 1.118 1.00 0.00 N ATOM 0 H LYS A 2 -10.414 8.265 4.144 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.859 6.963 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.460 9.858 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.799 9.324 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.612 8.816 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.800 10.148 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.995 8.485 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.908 7.188 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.241 7.614 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.945 8.076 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.266 9.677 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.953 10.345 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.824 10.041 0.222 1.00 0.00 H new ATOM 61 N VAL A 3 -8.486 6.642 1.049 1.00 0.00 N ATOM 62 CA VAL A 3 -7.133 6.476 0.572 1.00 0.00 C ATOM 63 C VAL A 3 -7.097 6.612 -0.944 1.00 0.00 C ATOM 64 O VAL A 3 -7.835 5.937 -1.661 1.00 0.00 O ATOM 65 CB VAL A 3 -6.534 5.120 1.038 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.612 4.250 1.664 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.834 4.376 -0.090 1.00 0.00 C ATOM 0 H VAL A 3 -9.098 5.850 0.856 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.512 7.262 1.002 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.777 5.345 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.175 3.304 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.039 4.763 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.396 4.058 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.433 3.436 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.547 4.172 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.019 4.987 -0.479 1.00 0.00 H new ATOM 77 N THR A 4 -6.275 7.526 -1.414 1.00 0.00 N ATOM 78 CA THR A 4 -6.086 7.728 -2.833 1.00 0.00 C ATOM 79 C THR A 4 -4.978 6.820 -3.328 1.00 0.00 C ATOM 80 O THR A 4 -3.805 7.096 -3.129 1.00 0.00 O ATOM 81 CB THR A 4 -5.729 9.199 -3.125 1.00 0.00 C ATOM 82 OG1 THR A 4 -6.813 10.049 -2.725 1.00 0.00 O ATOM 83 CG2 THR A 4 -5.409 9.419 -4.598 1.00 0.00 C ATOM 0 H THR A 4 -5.721 8.148 -0.825 1.00 0.00 H new ATOM 0 HA THR A 4 -7.014 7.488 -3.352 1.00 0.00 H new ATOM 0 HB THR A 4 -4.836 9.449 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.582 10.983 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.162 10.468 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.560 8.797 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.275 9.150 -5.203 1.00 0.00 H new ATOM 91 N LEU A 5 -5.340 5.737 -3.974 1.00 0.00 N ATOM 92 CA LEU A 5 -4.355 4.796 -4.425 1.00 0.00 C ATOM 93 C LEU A 5 -3.848 5.189 -5.777 1.00 0.00 C ATOM 94 O LEU A 5 -4.605 5.308 -6.736 1.00 0.00 O ATOM 95 CB LEU A 5 -4.900 3.383 -4.434 1.00 0.00 C ATOM 96 CG LEU A 5 -4.750 2.665 -3.094 1.00 0.00 C ATOM 97 CD1 LEU A 5 -5.959 1.813 -2.822 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.502 1.802 -3.084 1.00 0.00 C ATOM 0 H LEU A 5 -6.305 5.491 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.521 4.813 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.955 3.410 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.386 2.809 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.660 3.419 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.839 1.307 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.848 2.443 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.067 1.071 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.415 1.300 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.568 1.057 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.625 2.428 -3.247 1.00 0.00 H new ATOM 110 N LYS A 6 -2.559 5.392 -5.844 1.00 0.00 N ATOM 111 CA LYS A 6 -1.946 5.840 -7.053 1.00 0.00 C ATOM 112 C LYS A 6 -1.397 4.679 -7.845 1.00 0.00 C ATOM 113 O LYS A 6 -0.386 4.065 -7.499 1.00 0.00 O ATOM 114 CB LYS A 6 -0.884 6.868 -6.708 1.00 0.00 C ATOM 115 CG LYS A 6 -1.484 8.248 -6.702 1.00 0.00 C ATOM 116 CD LYS A 6 -0.770 9.201 -5.790 1.00 0.00 C ATOM 117 CE LYS A 6 0.657 9.425 -6.210 1.00 0.00 C ATOM 118 NZ LYS A 6 0.759 10.048 -7.559 1.00 0.00 N ATOM 0 H LYS A 6 -1.914 5.251 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.688 6.315 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.455 6.645 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.071 6.820 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.470 8.647 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.529 8.181 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.298 10.155 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.791 8.812 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.152 10.064 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.187 8.472 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.735 10.368 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.499 9.350 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.114 10.862 -7.615 1.00 0.00 H new ATOM 132 N THR A 7 -2.107 4.386 -8.914 1.00 0.00 N ATOM 133 CA THR A 7 -1.787 3.283 -9.781 1.00 0.00 C ATOM 134 C THR A 7 -1.093 3.817 -11.023 1.00 0.00 C ATOM 135 O THR A 7 -1.182 5.008 -11.323 1.00 0.00 O ATOM 136 CB THR A 7 -3.070 2.504 -10.193 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.752 3.191 -11.248 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.031 2.339 -9.013 1.00 0.00 C ATOM 0 H THR A 7 -2.930 4.915 -9.204 1.00 0.00 H new ATOM 0 HA THR A 7 -1.130 2.596 -9.247 1.00 0.00 H new ATOM 0 HB THR A 7 -2.754 1.517 -10.531 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.012 4.085 -10.942 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.915 1.791 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.535 1.787 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.328 3.321 -8.645 1.00 0.00 H new ATOM 146 N PRO A 8 -0.376 2.951 -11.750 1.00 0.00 N ATOM 147 CA PRO A 8 0.253 3.313 -13.025 1.00 0.00 C ATOM 148 C PRO A 8 -0.770 3.734 -14.081 1.00 0.00 C ATOM 149 O PRO A 8 -0.409 4.179 -15.169 1.00 0.00 O ATOM 150 CB PRO A 8 0.971 2.034 -13.454 1.00 0.00 C ATOM 151 CG PRO A 8 1.091 1.214 -12.215 1.00 0.00 C ATOM 152 CD PRO A 8 -0.093 1.563 -11.370 1.00 0.00 C ATOM 0 HA PRO A 8 0.918 4.170 -12.917 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.407 1.505 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.952 2.256 -13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.101 0.150 -12.451 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.022 1.433 -11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.941 0.909 -11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.130 1.474 -10.307 1.00 0.00 H new ATOM 160 N SER A 9 -2.048 3.593 -13.748 1.00 0.00 N ATOM 161 CA SER A 9 -3.118 3.998 -14.638 1.00 0.00 C ATOM 162 C SER A 9 -3.825 5.244 -14.096 1.00 0.00 C ATOM 163 O SER A 9 -4.674 5.828 -14.769 1.00 0.00 O ATOM 164 CB SER A 9 -4.117 2.849 -14.812 1.00 0.00 C ATOM 165 OG SER A 9 -5.095 3.157 -15.793 1.00 0.00 O ATOM 0 H SER A 9 -2.365 3.199 -12.862 1.00 0.00 H new ATOM 0 HA SER A 9 -2.691 4.243 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.585 1.942 -15.099 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.607 2.643 -13.860 1.00 0.00 H new ATOM 0 HG SER A 9 -5.302 4.114 -15.759 1.00 0.00 H new ATOM 171 N GLY A 10 -3.466 5.653 -12.886 1.00 0.00 N ATOM 172 CA GLY A 10 -4.078 6.823 -12.289 1.00 0.00 C ATOM 173 C GLY A 10 -4.321 6.665 -10.800 1.00 0.00 C ATOM 174 O GLY A 10 -4.220 5.565 -10.257 1.00 0.00 O ATOM 0 H GLY A 10 -2.762 5.195 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.437 7.689 -12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.026 7.026 -12.788 1.00 0.00 H new ATOM 178 N ASP A 11 -4.630 7.769 -10.142 1.00 0.00 N ATOM 179 CA ASP A 11 -4.922 7.766 -8.711 1.00 0.00 C ATOM 180 C ASP A 11 -6.415 7.616 -8.486 1.00 0.00 C ATOM 181 O ASP A 11 -7.225 8.183 -9.223 1.00 0.00 O ATOM 182 CB ASP A 11 -4.411 9.060 -8.063 1.00 0.00 C ATOM 183 CG ASP A 11 -5.120 10.294 -8.582 1.00 0.00 C ATOM 184 OD1 ASP A 11 -4.659 10.862 -9.597 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.138 10.707 -7.983 1.00 0.00 O ATOM 0 H ASP A 11 -4.687 8.690 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.412 6.922 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.543 8.997 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.341 9.156 -8.248 1.00 0.00 H new ATOM 190 N LYS A 12 -6.780 6.821 -7.497 1.00 0.00 N ATOM 191 CA LYS A 12 -8.180 6.605 -7.193 1.00 0.00 C ATOM 192 C LYS A 12 -8.422 6.481 -5.706 1.00 0.00 C ATOM 193 O LYS A 12 -7.731 5.748 -5.006 1.00 0.00 O ATOM 194 CB LYS A 12 -8.682 5.355 -7.877 1.00 0.00 C ATOM 195 CG LYS A 12 -10.190 5.223 -7.830 1.00 0.00 C ATOM 196 CD LYS A 12 -10.679 4.327 -8.934 1.00 0.00 C ATOM 197 CE LYS A 12 -12.185 4.359 -9.035 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.694 5.724 -9.327 1.00 0.00 N ATOM 0 H LYS A 12 -6.129 6.317 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.723 7.476 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.355 5.359 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.231 4.482 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.495 4.819 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.649 6.207 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.241 4.641 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.346 3.305 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.510 3.675 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.619 4.002 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.635 5.657 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.761 6.266 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.043 6.205 -9.979 1.00 0.00 H new ATOM 212 N THR A 13 -9.423 7.188 -5.241 1.00 0.00 N ATOM 213 CA THR A 13 -9.835 7.118 -3.858 1.00 0.00 C ATOM 214 C THR A 13 -10.668 5.881 -3.605 1.00 0.00 C ATOM 215 O THR A 13 -11.616 5.589 -4.335 1.00 0.00 O ATOM 216 CB THR A 13 -10.672 8.340 -3.496 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.954 9.537 -3.824 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.037 8.340 -2.015 1.00 0.00 C ATOM 0 H THR A 13 -9.976 7.829 -5.810 1.00 0.00 H new ATOM 0 HA THR A 13 -8.933 7.082 -3.246 1.00 0.00 H new ATOM 0 HB THR A 13 -11.597 8.302 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.497 10.319 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.634 9.223 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.612 7.444 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.127 8.353 -1.416 1.00 0.00 H new ATOM 226 N ILE A 14 -10.292 5.156 -2.579 1.00 0.00 N ATOM 227 CA ILE A 14 -11.040 4.023 -2.131 1.00 0.00 C ATOM 228 C ILE A 14 -11.461 4.238 -0.681 1.00 0.00 C ATOM 229 O ILE A 14 -10.944 5.136 -0.007 1.00 0.00 O ATOM 230 CB ILE A 14 -10.187 2.753 -2.217 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.001 2.861 -1.279 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.687 2.531 -3.624 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.578 1.538 -0.687 1.00 0.00 C ATOM 0 H ILE A 14 -9.451 5.343 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.918 3.909 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.812 1.908 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.159 3.294 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.249 3.549 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.084 1.623 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.536 2.428 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.079 3.381 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.725 1.691 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.405 1.113 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.298 0.854 -1.488 1.00 0.00 H new ATOM 245 N GLU A 15 -12.381 3.421 -0.202 1.00 0.00 N ATOM 246 CA GLU A 15 -12.787 3.473 1.193 1.00 0.00 C ATOM 247 C GLU A 15 -12.324 2.212 1.893 1.00 0.00 C ATOM 248 O GLU A 15 -12.978 1.174 1.810 1.00 0.00 O ATOM 249 CB GLU A 15 -14.308 3.594 1.315 1.00 0.00 C ATOM 250 CG GLU A 15 -14.873 4.881 0.744 1.00 0.00 C ATOM 251 CD GLU A 15 -16.367 5.006 0.965 1.00 0.00 C ATOM 252 OE1 GLU A 15 -17.140 4.530 0.108 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.777 5.584 1.992 1.00 0.00 O ATOM 0 H GLU A 15 -12.862 2.713 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.333 4.349 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.771 2.749 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.584 3.523 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.368 5.731 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.662 4.924 -0.324 1.00 0.00 H new ATOM 260 N CYS A 16 -11.201 2.297 2.585 1.00 0.00 N ATOM 261 CA CYS A 16 -10.656 1.141 3.261 1.00 0.00 C ATOM 262 C CYS A 16 -10.974 1.207 4.741 1.00 0.00 C ATOM 263 O CYS A 16 -10.504 2.102 5.445 1.00 0.00 O ATOM 264 CB CYS A 16 -9.153 1.055 3.061 1.00 0.00 C ATOM 265 SG CYS A 16 -8.495 -0.600 3.301 1.00 0.00 S ATOM 0 H CYS A 16 -10.654 3.151 2.691 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.113 0.249 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.908 1.393 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.662 1.737 3.755 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.007 -1.119 4.377 1.00 0.00 H new ATOM 271 N PRO A 17 -11.813 0.284 5.219 1.00 0.00 N ATOM 272 CA PRO A 17 -12.187 0.208 6.630 1.00 0.00 C ATOM 273 C PRO A 17 -10.987 -0.022 7.535 1.00 0.00 C ATOM 274 O PRO A 17 -9.956 -0.544 7.111 1.00 0.00 O ATOM 275 CB PRO A 17 -13.128 -0.997 6.693 1.00 0.00 C ATOM 276 CG PRO A 17 -13.610 -1.187 5.302 1.00 0.00 C ATOM 277 CD PRO A 17 -12.484 -0.751 4.417 1.00 0.00 C ATOM 0 HA PRO A 17 -12.638 1.138 6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.608 -1.884 7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.958 -0.814 7.376 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.871 -2.229 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.506 -0.596 5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.813 -1.577 4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.847 -0.355 3.469 1.00 0.00 H new ATOM 285 N ALA A 18 -11.158 0.334 8.795 1.00 0.00 N ATOM 286 CA ALA A 18 -10.105 0.224 9.796 1.00 0.00 C ATOM 287 C ALA A 18 -9.898 -1.227 10.226 1.00 0.00 C ATOM 288 O ALA A 18 -9.224 -1.505 11.219 1.00 0.00 O ATOM 289 CB ALA A 18 -10.434 1.095 10.998 1.00 0.00 C ATOM 0 H ALA A 18 -12.034 0.710 9.158 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.174 0.573 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.641 1.006 11.740 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.519 2.135 10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.378 0.770 11.435 1.00 0.00 H new ATOM 295 N ASP A 19 -10.528 -2.141 9.502 1.00 0.00 N ATOM 296 CA ASP A 19 -10.425 -3.566 9.792 1.00 0.00 C ATOM 297 C ASP A 19 -10.142 -4.378 8.529 1.00 0.00 C ATOM 298 O ASP A 19 -9.756 -5.545 8.606 1.00 0.00 O ATOM 299 CB ASP A 19 -11.717 -4.075 10.419 1.00 0.00 C ATOM 300 CG ASP A 19 -12.897 -3.988 9.463 1.00 0.00 C ATOM 301 OD1 ASP A 19 -13.506 -2.903 9.356 1.00 0.00 O ATOM 302 OD2 ASP A 19 -13.213 -4.998 8.799 1.00 0.00 O ATOM 0 H ASP A 19 -11.121 -1.919 8.702 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.595 -3.693 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.582 -5.110 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.936 -3.496 11.316 1.00 0.00 H new ATOM 307 N THR A 20 -10.322 -3.755 7.378 1.00 0.00 N ATOM 308 CA THR A 20 -10.226 -4.442 6.107 1.00 0.00 C ATOM 309 C THR A 20 -9.037 -3.920 5.321 1.00 0.00 C ATOM 310 O THR A 20 -8.878 -2.713 5.179 1.00 0.00 O ATOM 311 CB THR A 20 -11.519 -4.242 5.293 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.602 -4.958 5.903 1.00 0.00 O ATOM 313 CG2 THR A 20 -11.345 -4.689 3.852 1.00 0.00 C ATOM 0 H THR A 20 -10.538 -2.761 7.300 1.00 0.00 H new ATOM 0 HA THR A 20 -10.089 -5.507 6.296 1.00 0.00 H new ATOM 0 HB THR A 20 -11.748 -3.176 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.587 -4.811 6.872 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.277 -4.533 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.550 -4.108 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.083 -5.747 3.828 1.00 0.00 H new ATOM 321 N TYR A 21 -8.216 -4.831 4.810 1.00 0.00 N ATOM 322 CA TYR A 21 -6.991 -4.456 4.116 1.00 0.00 C ATOM 323 C TYR A 21 -7.276 -3.739 2.796 1.00 0.00 C ATOM 324 O TYR A 21 -8.280 -4.014 2.134 1.00 0.00 O ATOM 325 CB TYR A 21 -6.096 -5.682 3.888 1.00 0.00 C ATOM 326 CG TYR A 21 -6.816 -6.929 3.411 1.00 0.00 C ATOM 327 CD1 TYR A 21 -7.606 -6.917 2.269 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.693 -8.126 4.105 1.00 0.00 C ATOM 329 CE1 TYR A 21 -8.253 -8.057 1.835 1.00 0.00 C ATOM 330 CE2 TYR A 21 -7.333 -9.271 3.675 1.00 0.00 C ATOM 331 CZ TYR A 21 -8.113 -9.231 2.540 1.00 0.00 C ATOM 332 OH TYR A 21 -8.750 -10.370 2.105 1.00 0.00 O ATOM 0 H TYR A 21 -8.378 -5.837 4.864 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.459 -3.753 4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.331 -5.422 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.581 -5.914 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.716 -5.999 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.086 -8.161 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.866 -8.028 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.223 -10.194 4.226 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.547 -11.111 2.714 1.00 0.00 H new ATOM 342 N ILE A 22 -6.383 -2.814 2.439 1.00 0.00 N ATOM 343 CA ILE A 22 -6.585 -1.896 1.316 1.00 0.00 C ATOM 344 C ILE A 22 -7.090 -2.594 0.053 1.00 0.00 C ATOM 345 O ILE A 22 -8.027 -2.103 -0.564 1.00 0.00 O ATOM 346 CB ILE A 22 -5.293 -1.098 1.009 1.00 0.00 C ATOM 347 CG1 ILE A 22 -5.068 -0.047 2.101 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.396 -0.429 -0.353 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.612 0.204 2.472 1.00 0.00 C ATOM 0 H ILE A 22 -5.495 -2.680 2.923 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.366 -1.204 1.630 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.446 -1.784 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.510 0.894 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.606 -0.357 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.481 0.128 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.535 -1.189 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.245 0.254 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.561 0.963 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.165 -0.721 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.067 0.549 1.593 1.00 0.00 H new ATOM 361 N LEU A 23 -6.515 -3.754 -0.301 1.00 0.00 N ATOM 362 CA LEU A 23 -6.796 -4.378 -1.603 1.00 0.00 C ATOM 363 C LEU A 23 -8.290 -4.575 -1.850 1.00 0.00 C ATOM 364 O LEU A 23 -8.737 -4.470 -2.986 1.00 0.00 O ATOM 365 CB LEU A 23 -6.033 -5.710 -1.808 1.00 0.00 C ATOM 366 CG LEU A 23 -6.498 -6.942 -1.005 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.720 -7.594 -1.639 1.00 0.00 C ATOM 368 CD2 LEU A 23 -5.376 -7.961 -0.904 1.00 0.00 C ATOM 0 H LEU A 23 -5.862 -4.272 0.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.426 -3.670 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.082 -5.964 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.984 -5.534 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.771 -6.598 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.020 -8.459 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.539 -6.876 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.477 -7.915 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.719 -8.825 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.082 -8.279 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.520 -7.511 -0.401 1.00 0.00 H new ATOM 380 N ASP A 24 -9.062 -4.836 -0.796 1.00 0.00 N ATOM 381 CA ASP A 24 -10.499 -5.076 -0.946 1.00 0.00 C ATOM 382 C ASP A 24 -11.182 -3.845 -1.514 1.00 0.00 C ATOM 383 O ASP A 24 -11.921 -3.912 -2.493 1.00 0.00 O ATOM 384 CB ASP A 24 -11.130 -5.429 0.396 1.00 0.00 C ATOM 385 CG ASP A 24 -12.610 -5.742 0.271 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.950 -6.847 -0.192 1.00 0.00 O ATOM 387 OD2 ASP A 24 -13.441 -4.882 0.627 1.00 0.00 O ATOM 0 H ASP A 24 -8.721 -4.887 0.164 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.631 -5.913 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.614 -6.289 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.994 -4.599 1.089 1.00 0.00 H new ATOM 392 N ALA A 25 -10.907 -2.723 -0.885 1.00 0.00 N ATOM 393 CA ALA A 25 -11.420 -1.438 -1.323 1.00 0.00 C ATOM 394 C ALA A 25 -10.708 -0.982 -2.588 1.00 0.00 C ATOM 395 O ALA A 25 -11.279 -0.272 -3.417 1.00 0.00 O ATOM 396 CB ALA A 25 -11.255 -0.427 -0.212 1.00 0.00 C ATOM 0 H ALA A 25 -10.320 -2.673 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.480 -1.533 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.640 0.539 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.807 -0.759 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.199 -0.331 0.038 1.00 0.00 H new ATOM 402 N ALA A 26 -9.459 -1.397 -2.719 1.00 0.00 N ATOM 403 CA ALA A 26 -8.650 -1.076 -3.879 1.00 0.00 C ATOM 404 C ALA A 26 -9.297 -1.625 -5.150 1.00 0.00 C ATOM 405 O ALA A 26 -9.551 -0.891 -6.102 1.00 0.00 O ATOM 406 CB ALA A 26 -7.250 -1.634 -3.712 1.00 0.00 C ATOM 0 H ALA A 26 -8.979 -1.966 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.584 0.008 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.653 -1.386 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.789 -1.200 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.301 -2.717 -3.602 1.00 0.00 H new ATOM 412 N GLU A 27 -9.589 -2.924 -5.147 1.00 0.00 N ATOM 413 CA GLU A 27 -10.224 -3.567 -6.283 1.00 0.00 C ATOM 414 C GLU A 27 -11.664 -3.095 -6.419 1.00 0.00 C ATOM 415 O GLU A 27 -12.204 -3.034 -7.522 1.00 0.00 O ATOM 416 CB GLU A 27 -10.176 -5.085 -6.140 1.00 0.00 C ATOM 417 CG GLU A 27 -10.711 -5.593 -4.817 1.00 0.00 C ATOM 418 CD GLU A 27 -11.337 -6.965 -4.927 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.601 -7.954 -5.115 1.00 0.00 O ATOM 420 OE2 GLU A 27 -12.579 -7.063 -4.831 1.00 0.00 O ATOM 0 H GLU A 27 -9.393 -3.549 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.677 -3.290 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.750 -5.535 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.145 -5.419 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.899 -5.626 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.452 -4.890 -4.436 1.00 0.00 H new ATOM 427 N GLU A 28 -12.276 -2.781 -5.283 1.00 0.00 N ATOM 428 CA GLU A 28 -13.610 -2.188 -5.245 1.00 0.00 C ATOM 429 C GLU A 28 -13.645 -0.958 -6.130 1.00 0.00 C ATOM 430 O GLU A 28 -14.535 -0.787 -6.962 1.00 0.00 O ATOM 431 CB GLU A 28 -13.931 -1.780 -3.815 1.00 0.00 C ATOM 432 CG GLU A 28 -15.411 -1.674 -3.509 1.00 0.00 C ATOM 433 CD GLU A 28 -15.674 -1.420 -2.040 1.00 0.00 C ATOM 434 OE1 GLU A 28 -15.482 -0.272 -1.584 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.077 -2.367 -1.333 1.00 0.00 O ATOM 0 H GLU A 28 -11.863 -2.930 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.342 -2.914 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.483 -2.504 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.461 -0.818 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.845 -0.867 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.910 -2.595 -3.812 1.00 0.00 H new ATOM 442 N ALA A 29 -12.647 -0.118 -5.930 1.00 0.00 N ATOM 443 CA ALA A 29 -12.482 1.098 -6.725 1.00 0.00 C ATOM 444 C ALA A 29 -12.185 0.769 -8.185 1.00 0.00 C ATOM 445 O ALA A 29 -12.554 1.516 -9.087 1.00 0.00 O ATOM 446 CB ALA A 29 -11.367 1.933 -6.144 1.00 0.00 C ATOM 0 H ALA A 29 -11.929 -0.252 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.415 1.660 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.244 2.839 -6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.611 2.202 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.439 1.362 -6.159 1.00 0.00 H new ATOM 452 N GLY A 30 -11.553 -0.368 -8.421 1.00 0.00 N ATOM 453 CA GLY A 30 -11.277 -0.774 -9.780 1.00 0.00 C ATOM 454 C GLY A 30 -9.802 -0.788 -10.098 1.00 0.00 C ATOM 455 O GLY A 30 -9.414 -0.909 -11.259 1.00 0.00 O ATOM 0 H GLY A 30 -11.228 -1.013 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.690 -1.769 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.786 -0.098 -10.467 1.00 0.00 H new ATOM 459 N LEU A 31 -8.974 -0.651 -9.077 1.00 0.00 N ATOM 460 CA LEU A 31 -7.538 -0.623 -9.273 1.00 0.00 C ATOM 461 C LEU A 31 -7.028 -2.021 -9.580 1.00 0.00 C ATOM 462 O LEU A 31 -7.439 -2.996 -8.944 1.00 0.00 O ATOM 463 CB LEU A 31 -6.851 -0.098 -8.026 1.00 0.00 C ATOM 464 CG LEU A 31 -7.623 0.968 -7.253 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.813 1.375 -6.056 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.948 2.183 -8.113 1.00 0.00 C ATOM 0 H LEU A 31 -9.272 -0.558 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.313 0.036 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.656 -0.937 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.883 0.314 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.577 0.544 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.353 2.137 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.643 0.507 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.855 1.777 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.497 2.913 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.022 2.632 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.557 1.875 -8.963 1.00 0.00 H new ATOM 478 N ASP A 32 -6.136 -2.115 -10.546 1.00 0.00 N ATOM 479 CA ASP A 32 -5.558 -3.392 -10.940 1.00 0.00 C ATOM 480 C ASP A 32 -4.431 -3.773 -9.983 1.00 0.00 C ATOM 481 O ASP A 32 -3.259 -3.818 -10.350 1.00 0.00 O ATOM 482 CB ASP A 32 -5.059 -3.309 -12.384 1.00 0.00 C ATOM 483 CG ASP A 32 -4.420 -4.593 -12.877 1.00 0.00 C ATOM 484 OD1 ASP A 32 -5.074 -5.653 -12.815 1.00 0.00 O ATOM 485 OD2 ASP A 32 -3.263 -4.541 -13.348 1.00 0.00 O ATOM 0 H ASP A 32 -5.791 -1.317 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.320 -4.170 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.895 -3.055 -13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.335 -2.498 -12.464 1.00 0.00 H new ATOM 490 N LEU A 33 -4.804 -4.009 -8.738 1.00 0.00 N ATOM 491 CA LEU A 33 -3.855 -4.351 -7.699 1.00 0.00 C ATOM 492 C LEU A 33 -3.750 -5.867 -7.545 1.00 0.00 C ATOM 493 O LEU A 33 -4.759 -6.551 -7.360 1.00 0.00 O ATOM 494 CB LEU A 33 -4.309 -3.709 -6.392 1.00 0.00 C ATOM 495 CG LEU A 33 -3.200 -3.336 -5.412 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.760 -2.401 -4.363 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.603 -4.573 -4.756 1.00 0.00 C ATOM 0 H LEU A 33 -5.773 -3.969 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.867 -3.976 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.875 -2.809 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.994 -4.394 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.400 -2.838 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.973 -2.130 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.142 -1.501 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.570 -2.897 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.816 -4.274 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.381 -5.108 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.183 -5.225 -5.522 1.00 0.00 H new ATOM 509 N PRO A 34 -2.526 -6.405 -7.639 1.00 0.00 N ATOM 510 CA PRO A 34 -2.265 -7.846 -7.483 1.00 0.00 C ATOM 511 C PRO A 34 -2.456 -8.345 -6.049 1.00 0.00 C ATOM 512 O PRO A 34 -2.032 -7.701 -5.088 1.00 0.00 O ATOM 513 CB PRO A 34 -0.795 -7.972 -7.886 1.00 0.00 C ATOM 514 CG PRO A 34 -0.216 -6.637 -7.577 1.00 0.00 C ATOM 515 CD PRO A 34 -1.290 -5.654 -7.926 1.00 0.00 C ATOM 0 HA PRO A 34 -2.956 -8.443 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.295 -8.762 -7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.691 -8.216 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.061 -6.561 -6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.688 -6.456 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.219 -4.747 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.235 -5.349 -8.971 1.00 0.00 H new ATOM 523 N TYR A 35 -3.084 -9.503 -5.916 1.00 0.00 N ATOM 524 CA TYR A 35 -3.270 -10.139 -4.618 1.00 0.00 C ATOM 525 C TYR A 35 -2.905 -11.616 -4.716 1.00 0.00 C ATOM 526 O TYR A 35 -3.178 -12.256 -5.732 1.00 0.00 O ATOM 527 CB TYR A 35 -4.717 -9.965 -4.137 1.00 0.00 C ATOM 528 CG TYR A 35 -5.761 -10.355 -5.162 1.00 0.00 C ATOM 529 CD1 TYR A 35 -6.224 -11.662 -5.254 1.00 0.00 C ATOM 530 CD2 TYR A 35 -6.282 -9.413 -6.041 1.00 0.00 C ATOM 531 CE1 TYR A 35 -7.171 -12.018 -6.193 1.00 0.00 C ATOM 532 CE2 TYR A 35 -7.232 -9.763 -6.981 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.673 -11.066 -7.053 1.00 0.00 C ATOM 534 OH TYR A 35 -8.614 -11.419 -7.993 1.00 0.00 O ATOM 0 H TYR A 35 -3.477 -10.027 -6.698 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.615 -9.662 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.864 -10.564 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.872 -8.924 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.837 -12.411 -4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.939 -8.390 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.517 -13.039 -6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.627 -9.018 -7.656 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.864 -10.630 -8.518 1.00 0.00 H new ATOM 544 N SER A 36 -2.287 -12.163 -3.678 1.00 0.00 N ATOM 545 CA SER A 36 -1.812 -13.535 -3.744 1.00 0.00 C ATOM 546 C SER A 36 -2.099 -14.307 -2.454 1.00 0.00 C ATOM 547 O SER A 36 -2.912 -15.231 -2.446 1.00 0.00 O ATOM 548 CB SER A 36 -0.311 -13.553 -4.051 1.00 0.00 C ATOM 549 OG SER A 36 0.125 -14.853 -4.410 1.00 0.00 O ATOM 0 H SER A 36 -2.106 -11.686 -2.795 1.00 0.00 H new ATOM 0 HA SER A 36 -2.355 -14.034 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.095 -12.858 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.245 -13.208 -3.179 1.00 0.00 H new ATOM 0 HG SER A 36 1.086 -14.834 -4.602 1.00 0.00 H new ATOM 555 N CYS A 37 -1.441 -13.929 -1.367 1.00 0.00 N ATOM 556 CA CYS A 37 -1.531 -14.683 -0.121 1.00 0.00 C ATOM 557 C CYS A 37 -2.738 -14.281 0.709 1.00 0.00 C ATOM 558 O CYS A 37 -3.325 -15.107 1.406 1.00 0.00 O ATOM 559 CB CYS A 37 -0.270 -14.457 0.702 1.00 0.00 C ATOM 560 SG CYS A 37 0.165 -12.708 0.874 1.00 0.00 S ATOM 0 H CYS A 37 -0.840 -13.106 -1.321 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.639 -15.735 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.408 -14.890 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.560 -14.987 0.236 1.00 0.00 H new ATOM 0 HG CYS A 37 1.241 -12.459 0.189 1.00 0.00 H new ATOM 565 N ARG A 38 -3.092 -13.000 0.627 1.00 0.00 N ATOM 566 CA ARG A 38 -4.102 -12.403 1.500 1.00 0.00 C ATOM 567 C ARG A 38 -3.639 -12.470 2.956 1.00 0.00 C ATOM 568 O ARG A 38 -4.454 -12.395 3.875 1.00 0.00 O ATOM 569 CB ARG A 38 -5.476 -13.088 1.368 1.00 0.00 C ATOM 570 CG ARG A 38 -6.161 -12.920 0.016 1.00 0.00 C ATOM 571 CD ARG A 38 -5.720 -13.978 -0.985 1.00 0.00 C ATOM 572 NE ARG A 38 -6.567 -13.982 -2.178 1.00 0.00 N ATOM 573 CZ ARG A 38 -6.480 -14.880 -3.161 1.00 0.00 C ATOM 574 NH1 ARG A 38 -5.552 -15.826 -3.128 1.00 0.00 N ATOM 575 NH2 ARG A 38 -7.324 -14.823 -4.183 1.00 0.00 N ATOM 0 H ARG A 38 -2.688 -12.347 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.220 -11.365 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.353 -14.153 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.135 -12.695 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.242 -12.975 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.939 -11.930 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.685 -13.796 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.751 -14.960 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.271 -13.249 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.898 -15.871 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.492 -16.509 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.037 -14.094 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.260 -15.508 -4.936 1.00 0.00 H new ATOM 589 N ALA A 39 -2.325 -12.601 3.161 1.00 0.00 N ATOM 590 CA ALA A 39 -1.785 -12.771 4.506 1.00 0.00 C ATOM 591 C ALA A 39 -0.450 -12.045 4.708 1.00 0.00 C ATOM 592 O ALA A 39 -0.017 -11.851 5.843 1.00 0.00 O ATOM 593 CB ALA A 39 -1.629 -14.250 4.822 1.00 0.00 C ATOM 0 H ALA A 39 -1.625 -12.592 2.419 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.499 -12.318 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.225 -14.367 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.601 -14.739 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.948 -14.706 4.103 1.00 0.00 H new ATOM 599 N GLY A 40 0.207 -11.659 3.618 1.00 0.00 N ATOM 600 CA GLY A 40 1.456 -10.922 3.734 1.00 0.00 C ATOM 601 C GLY A 40 2.678 -11.805 3.555 1.00 0.00 C ATOM 602 O GLY A 40 3.625 -11.729 4.337 1.00 0.00 O ATOM 0 H GLY A 40 -0.099 -11.841 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.475 -10.128 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.500 -10.442 4.712 1.00 0.00 H new ATOM 606 N ALA A 41 2.660 -12.655 2.534 1.00 0.00 N ATOM 607 CA ALA A 41 3.743 -13.608 2.316 1.00 0.00 C ATOM 608 C ALA A 41 4.780 -13.092 1.315 1.00 0.00 C ATOM 609 O ALA A 41 5.837 -13.703 1.142 1.00 0.00 O ATOM 610 CB ALA A 41 3.183 -14.941 1.849 1.00 0.00 C ATOM 0 H ALA A 41 1.909 -12.704 1.845 1.00 0.00 H new ATOM 0 HA ALA A 41 4.253 -13.741 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.001 -15.644 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.507 -15.337 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.639 -14.800 0.915 1.00 0.00 H new ATOM 616 N CYS A 42 4.486 -11.981 0.656 1.00 0.00 N ATOM 617 CA CYS A 42 5.409 -11.404 -0.313 1.00 0.00 C ATOM 618 C CYS A 42 5.510 -9.887 -0.134 1.00 0.00 C ATOM 619 O CYS A 42 4.825 -9.306 0.710 1.00 0.00 O ATOM 620 CB CYS A 42 4.975 -11.766 -1.740 1.00 0.00 C ATOM 621 SG CYS A 42 3.267 -11.327 -2.160 1.00 0.00 S ATOM 0 H CYS A 42 3.617 -11.461 0.774 1.00 0.00 H new ATOM 0 HA CYS A 42 6.400 -11.823 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.644 -11.270 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.103 -12.839 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 42 3.092 -10.050 -1.988 1.00 0.00 H new ATOM 626 N SER A 43 6.394 -9.254 -0.902 1.00 0.00 N ATOM 627 CA SER A 43 6.608 -7.816 -0.791 1.00 0.00 C ATOM 628 C SER A 43 6.597 -7.141 -2.163 1.00 0.00 C ATOM 629 O SER A 43 6.799 -5.930 -2.274 1.00 0.00 O ATOM 630 CB SER A 43 7.933 -7.538 -0.081 1.00 0.00 C ATOM 631 OG SER A 43 7.944 -8.107 1.218 1.00 0.00 O ATOM 0 H SER A 43 6.972 -9.714 -1.606 1.00 0.00 H new ATOM 0 HA SER A 43 5.789 -7.399 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.756 -7.946 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.094 -6.462 -0.012 1.00 0.00 H new ATOM 0 HG SER A 43 8.826 -8.495 1.398 1.00 0.00 H new ATOM 637 N SER A 44 6.334 -7.924 -3.201 1.00 0.00 N ATOM 638 CA SER A 44 6.259 -7.403 -4.564 1.00 0.00 C ATOM 639 C SER A 44 4.935 -6.658 -4.763 1.00 0.00 C ATOM 640 O SER A 44 4.667 -6.077 -5.814 1.00 0.00 O ATOM 641 CB SER A 44 6.404 -8.564 -5.560 1.00 0.00 C ATOM 642 OG SER A 44 6.350 -8.123 -6.907 1.00 0.00 O ATOM 0 H SER A 44 6.168 -8.928 -3.126 1.00 0.00 H new ATOM 0 HA SER A 44 7.070 -6.696 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.350 -9.075 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.611 -9.292 -5.385 1.00 0.00 H new ATOM 0 HG SER A 44 7.175 -7.643 -7.127 1.00 0.00 H new ATOM 648 N CYS A 45 4.119 -6.678 -3.728 1.00 0.00 N ATOM 649 CA CYS A 45 2.828 -6.020 -3.726 1.00 0.00 C ATOM 650 C CYS A 45 2.767 -4.966 -2.630 1.00 0.00 C ATOM 651 O CYS A 45 1.694 -4.594 -2.163 1.00 0.00 O ATOM 652 CB CYS A 45 1.777 -7.083 -3.488 1.00 0.00 C ATOM 653 SG CYS A 45 2.461 -8.468 -2.557 1.00 0.00 S ATOM 0 H CYS A 45 4.337 -7.157 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 45 2.658 -5.516 -4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.936 -6.653 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.390 -7.438 -4.443 1.00 0.00 H new ATOM 0 HG CYS A 45 2.415 -9.545 -3.284 1.00 0.00 H new ATOM 658 N ALA A 46 3.926 -4.502 -2.196 1.00 0.00 N ATOM 659 CA ALA A 46 3.975 -3.497 -1.154 1.00 0.00 C ATOM 660 C ALA A 46 3.803 -2.100 -1.747 1.00 0.00 C ATOM 661 O ALA A 46 4.664 -1.621 -2.491 1.00 0.00 O ATOM 662 CB ALA A 46 5.274 -3.613 -0.363 1.00 0.00 C ATOM 0 H ALA A 46 4.836 -4.803 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 46 3.149 -3.667 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.295 -2.851 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.335 -4.601 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.122 -3.471 -1.033 1.00 0.00 H new ATOM 668 N GLY A 47 2.696 -1.449 -1.396 1.00 0.00 N ATOM 669 CA GLY A 47 2.397 -0.128 -1.921 1.00 0.00 C ATOM 670 C GLY A 47 3.210 0.948 -1.245 1.00 0.00 C ATOM 671 O GLY A 47 4.038 0.662 -0.387 1.00 0.00 O ATOM 0 H GLY A 47 1.996 -1.817 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.594 -0.111 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.336 0.083 -1.789 1.00 0.00 H new ATOM 675 N LYS A 48 3.021 2.188 -1.649 1.00 0.00 N ATOM 676 CA LYS A 48 3.792 3.291 -1.101 1.00 0.00 C ATOM 677 C LYS A 48 2.883 4.285 -0.409 1.00 0.00 C ATOM 678 O LYS A 48 1.883 4.719 -0.974 1.00 0.00 O ATOM 679 CB LYS A 48 4.555 4.026 -2.206 1.00 0.00 C ATOM 680 CG LYS A 48 5.791 3.335 -2.746 1.00 0.00 C ATOM 681 CD LYS A 48 5.710 1.826 -2.669 1.00 0.00 C ATOM 682 CE LYS A 48 6.662 1.274 -1.636 1.00 0.00 C ATOM 683 NZ LYS A 48 6.847 -0.194 -1.789 1.00 0.00 N ATOM 0 H LYS A 48 2.339 2.460 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 48 4.498 2.870 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.871 4.200 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.849 5.004 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.942 3.632 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.663 3.675 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.691 1.527 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.941 1.398 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.626 1.774 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.282 1.491 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.862 -0.642 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.062 -0.587 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.746 -0.382 -2.277 1.00 0.00 H new ATOM 697 N VAL A 49 3.237 4.657 0.802 1.00 0.00 N ATOM 698 CA VAL A 49 2.530 5.716 1.486 1.00 0.00 C ATOM 699 C VAL A 49 2.955 7.055 0.885 1.00 0.00 C ATOM 700 O VAL A 49 4.043 7.578 1.140 1.00 0.00 O ATOM 701 CB VAL A 49 2.730 5.666 3.035 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.862 7.055 3.642 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.547 4.975 3.677 1.00 0.00 C ATOM 0 H VAL A 49 4.006 4.244 1.330 1.00 0.00 H new ATOM 0 HA VAL A 49 1.459 5.582 1.337 1.00 0.00 H new ATOM 0 HB VAL A 49 3.653 5.118 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.999 6.969 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.722 7.562 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.959 7.630 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.688 4.941 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.635 5.526 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.465 3.960 3.290 1.00 0.00 H new ATOM 713 N ALA A 50 2.104 7.556 0.015 1.00 0.00 N ATOM 714 CA ALA A 50 2.315 8.833 -0.627 1.00 0.00 C ATOM 715 C ALA A 50 1.788 9.929 0.277 1.00 0.00 C ATOM 716 O ALA A 50 2.237 11.075 0.245 1.00 0.00 O ATOM 717 CB ALA A 50 1.581 8.839 -1.950 1.00 0.00 C ATOM 0 H ALA A 50 1.244 7.086 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 50 3.376 9.003 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.732 9.798 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.965 8.039 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.516 8.684 -1.776 1.00 0.00 H new ATOM 723 N ALA A 51 0.807 9.540 1.070 1.00 0.00 N ATOM 724 CA ALA A 51 0.180 10.406 2.039 1.00 0.00 C ATOM 725 C ALA A 51 -0.375 9.560 3.161 1.00 0.00 C ATOM 726 O ALA A 51 -0.511 8.348 2.999 1.00 0.00 O ATOM 727 CB ALA A 51 -0.950 11.169 1.386 1.00 0.00 C ATOM 0 H ALA A 51 0.420 8.596 1.055 1.00 0.00 H new ATOM 0 HA ALA A 51 0.913 11.112 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.421 11.822 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.557 11.770 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.688 10.466 0.999 1.00 0.00 H new ATOM 733 N GLY A 52 -0.699 10.191 4.279 1.00 0.00 N ATOM 734 CA GLY A 52 -1.387 9.498 5.352 1.00 0.00 C ATOM 735 C GLY A 52 -0.605 8.327 5.912 1.00 0.00 C ATOM 736 O GLY A 52 0.615 8.255 5.766 1.00 0.00 O ATOM 0 H GLY A 52 -0.498 11.174 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.595 10.204 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.349 9.140 4.985 1.00 0.00 H new ATOM 740 N THR A 53 -1.309 7.404 6.552 1.00 0.00 N ATOM 741 CA THR A 53 -0.679 6.237 7.142 1.00 0.00 C ATOM 742 C THR A 53 -1.553 5.003 6.976 1.00 0.00 C ATOM 743 O THR A 53 -2.733 5.100 6.621 1.00 0.00 O ATOM 744 CB THR A 53 -0.399 6.437 8.640 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.615 6.772 9.323 1.00 0.00 O ATOM 746 CG2 THR A 53 0.627 7.535 8.867 1.00 0.00 C ATOM 0 H THR A 53 -2.321 7.444 6.675 1.00 0.00 H new ATOM 0 HA THR A 53 0.266 6.096 6.617 1.00 0.00 H new ATOM 0 HB THR A 53 0.002 5.503 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.986 5.968 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.804 7.653 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.561 7.268 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.253 8.473 8.456 1.00 0.00 H new ATOM 754 N VAL A 54 -0.966 3.848 7.250 1.00 0.00 N ATOM 755 CA VAL A 54 -1.649 2.571 7.137 1.00 0.00 C ATOM 756 C VAL A 54 -1.207 1.658 8.277 1.00 0.00 C ATOM 757 O VAL A 54 -0.232 1.957 8.967 1.00 0.00 O ATOM 758 CB VAL A 54 -1.319 1.875 5.806 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.702 2.737 4.609 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.156 1.521 5.770 1.00 0.00 C ATOM 0 H VAL A 54 0.003 3.771 7.559 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.722 2.760 7.182 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.909 0.961 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.453 2.211 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.773 2.939 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.154 3.678 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.389 1.028 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.751 2.430 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.390 0.851 6.597 1.00 0.00 H new ATOM 770 N ASP A 55 -1.917 0.561 8.472 1.00 0.00 N ATOM 771 CA ASP A 55 -1.518 -0.432 9.455 1.00 0.00 C ATOM 772 C ASP A 55 -0.929 -1.647 8.761 1.00 0.00 C ATOM 773 O ASP A 55 -1.652 -2.521 8.282 1.00 0.00 O ATOM 774 CB ASP A 55 -2.695 -0.861 10.333 1.00 0.00 C ATOM 775 CG ASP A 55 -2.245 -1.696 11.516 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.944 -1.110 12.576 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.191 -2.940 11.397 1.00 0.00 O ATOM 0 H ASP A 55 -2.772 0.335 7.964 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.765 0.024 10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.221 0.024 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.405 -1.432 9.735 1.00 0.00 H new ATOM 782 N GLN A 56 0.385 -1.668 8.688 1.00 0.00 N ATOM 783 CA GLN A 56 1.131 -2.789 8.141 1.00 0.00 C ATOM 784 C GLN A 56 2.096 -3.276 9.214 1.00 0.00 C ATOM 785 O GLN A 56 3.314 -3.320 9.020 1.00 0.00 O ATOM 786 CB GLN A 56 1.888 -2.362 6.886 1.00 0.00 C ATOM 787 CG GLN A 56 2.682 -1.087 7.098 1.00 0.00 C ATOM 788 CD GLN A 56 3.757 -0.856 6.072 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.222 -1.775 5.404 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.191 0.385 5.991 1.00 0.00 N ATOM 0 H GLN A 56 0.975 -0.900 9.009 1.00 0.00 H new ATOM 0 HA GLN A 56 0.453 -3.594 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.564 -3.162 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.180 -2.215 6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.997 -0.239 7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.139 -1.116 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.769 1.112 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.949 0.619 5.350 1.00 0.00 H new ATOM 799 N SER A 57 1.524 -3.618 10.358 1.00 0.00 N ATOM 800 CA SER A 57 2.282 -3.901 11.568 1.00 0.00 C ATOM 801 C SER A 57 3.161 -5.149 11.448 1.00 0.00 C ATOM 802 O SER A 57 3.983 -5.423 12.326 1.00 0.00 O ATOM 803 CB SER A 57 1.304 -4.026 12.736 1.00 0.00 C ATOM 804 OG SER A 57 0.081 -4.615 12.311 1.00 0.00 O ATOM 0 H SER A 57 0.515 -3.708 10.474 1.00 0.00 H new ATOM 0 HA SER A 57 2.972 -3.075 11.739 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.749 -4.631 13.526 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.110 -3.041 13.161 1.00 0.00 H new ATOM 0 HG SER A 57 -0.564 -3.910 12.094 1.00 0.00 H new ATOM 810 N ASP A 58 2.996 -5.895 10.367 1.00 0.00 N ATOM 811 CA ASP A 58 3.813 -7.073 10.125 1.00 0.00 C ATOM 812 C ASP A 58 5.025 -6.733 9.248 1.00 0.00 C ATOM 813 O ASP A 58 6.011 -6.202 9.760 1.00 0.00 O ATOM 814 CB ASP A 58 2.967 -8.198 9.517 1.00 0.00 C ATOM 815 CG ASP A 58 2.170 -7.758 8.304 1.00 0.00 C ATOM 816 OD1 ASP A 58 1.209 -6.979 8.464 1.00 0.00 O ATOM 817 OD2 ASP A 58 2.501 -8.204 7.185 1.00 0.00 O ATOM 0 H ASP A 58 2.303 -5.705 9.643 1.00 0.00 H new ATOM 0 HA ASP A 58 4.199 -7.428 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.621 -9.023 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.282 -8.579 10.275 1.00 0.00 H new ATOM 822 N GLN A 59 4.933 -7.005 7.939 1.00 0.00 N ATOM 823 CA GLN A 59 6.020 -6.742 6.986 1.00 0.00 C ATOM 824 C GLN A 59 7.346 -7.386 7.401 1.00 0.00 C ATOM 825 O GLN A 59 8.069 -6.866 8.252 1.00 0.00 O ATOM 826 CB GLN A 59 6.203 -5.237 6.789 1.00 0.00 C ATOM 827 CG GLN A 59 5.238 -4.621 5.789 1.00 0.00 C ATOM 828 CD GLN A 59 5.572 -4.977 4.349 1.00 0.00 C ATOM 829 OE1 GLN A 59 6.074 -6.063 4.059 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.326 -4.046 3.436 1.00 0.00 N ATOM 0 H GLN A 59 4.102 -7.414 7.511 1.00 0.00 H new ATOM 0 HA GLN A 59 5.727 -7.201 6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.081 -4.738 7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.224 -5.046 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.226 -4.955 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.248 -3.537 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.909 -3.157 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.554 -4.219 2.457 1.00 0.00 H new ATOM 839 N SER A 60 7.678 -8.507 6.779 1.00 0.00 N ATOM 840 CA SER A 60 8.934 -9.192 7.055 1.00 0.00 C ATOM 841 C SER A 60 9.997 -8.824 6.017 1.00 0.00 C ATOM 842 O SER A 60 10.769 -9.674 5.567 1.00 0.00 O ATOM 843 CB SER A 60 8.708 -10.705 7.082 1.00 0.00 C ATOM 844 OG SER A 60 7.724 -11.050 8.047 1.00 0.00 O ATOM 0 H SER A 60 7.094 -8.963 6.078 1.00 0.00 H new ATOM 0 HA SER A 60 9.296 -8.872 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.393 -11.048 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.644 -11.213 7.313 1.00 0.00 H new ATOM 0 HG SER A 60 7.593 -12.021 8.048 1.00 0.00 H new ATOM 850 N PHE A 61 10.035 -7.545 5.652 1.00 0.00 N ATOM 851 CA PHE A 61 10.998 -7.043 4.678 1.00 0.00 C ATOM 852 C PHE A 61 10.991 -5.517 4.681 1.00 0.00 C ATOM 853 O PHE A 61 12.042 -4.876 4.712 1.00 0.00 O ATOM 854 CB PHE A 61 10.683 -7.582 3.276 1.00 0.00 C ATOM 855 CG PHE A 61 11.685 -7.176 2.232 1.00 0.00 C ATOM 856 CD1 PHE A 61 13.038 -7.399 2.425 1.00 0.00 C ATOM 857 CD2 PHE A 61 11.272 -6.573 1.056 1.00 0.00 C ATOM 858 CE1 PHE A 61 13.960 -7.026 1.467 1.00 0.00 C ATOM 859 CE2 PHE A 61 12.189 -6.197 0.093 1.00 0.00 C ATOM 860 CZ PHE A 61 13.535 -6.423 0.300 1.00 0.00 C ATOM 0 H PHE A 61 9.404 -6.833 6.020 1.00 0.00 H new ATOM 0 HA PHE A 61 11.993 -7.391 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.636 -8.670 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.696 -7.231 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.376 -7.870 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.220 -6.394 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.012 -7.206 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.853 -5.727 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.254 -6.129 -0.450 1.00 0.00 H new ATOM 870 N LEU A 62 9.796 -4.945 4.635 1.00 0.00 N ATOM 871 CA LEU A 62 9.619 -3.506 4.775 1.00 0.00 C ATOM 872 C LEU A 62 9.577 -3.146 6.264 1.00 0.00 C ATOM 873 O LEU A 62 8.880 -3.794 7.040 1.00 0.00 O ATOM 874 CB LEU A 62 8.326 -3.089 4.077 1.00 0.00 C ATOM 875 CG LEU A 62 8.078 -1.586 3.985 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.377 -1.257 2.684 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.251 -1.103 5.164 1.00 0.00 C ATOM 0 H LEU A 62 8.927 -5.461 4.500 1.00 0.00 H new ATOM 0 HA LEU A 62 10.451 -2.975 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.331 -3.500 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.487 -3.545 4.603 1.00 0.00 H new ATOM 0 HG LEU A 62 9.040 -1.074 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.203 -0.182 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.000 -1.570 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.422 -1.781 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.087 -0.029 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.290 -1.618 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.782 -1.315 6.092 1.00 0.00 H new ATOM 889 N ASP A 63 10.324 -2.126 6.665 1.00 0.00 N ATOM 890 CA ASP A 63 10.404 -1.756 8.079 1.00 0.00 C ATOM 891 C ASP A 63 9.571 -0.518 8.387 1.00 0.00 C ATOM 892 O ASP A 63 9.026 0.109 7.480 1.00 0.00 O ATOM 893 CB ASP A 63 11.849 -1.507 8.496 1.00 0.00 C ATOM 894 CG ASP A 63 12.700 -2.758 8.452 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.612 -3.578 9.389 1.00 0.00 O ATOM 896 OD2 ASP A 63 13.467 -2.928 7.479 1.00 0.00 O ATOM 0 H ASP A 63 10.880 -1.542 6.040 1.00 0.00 H new ATOM 0 HA ASP A 63 10.002 -2.595 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.286 -0.753 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.865 -1.099 9.506 1.00 0.00 H new ATOM 901 N ASP A 64 9.487 -0.155 9.662 1.00 0.00 N ATOM 902 CA ASP A 64 8.759 1.047 10.072 1.00 0.00 C ATOM 903 C ASP A 64 9.402 2.282 9.451 1.00 0.00 C ATOM 904 O ASP A 64 8.714 3.220 9.040 1.00 0.00 O ATOM 905 CB ASP A 64 8.742 1.176 11.598 1.00 0.00 C ATOM 906 CG ASP A 64 7.908 2.350 12.081 1.00 0.00 C ATOM 907 OD1 ASP A 64 8.448 3.470 12.198 1.00 0.00 O ATOM 908 OD2 ASP A 64 6.706 2.155 12.365 1.00 0.00 O ATOM 0 H ASP A 64 9.912 -0.673 10.431 1.00 0.00 H new ATOM 0 HA ASP A 64 7.730 0.964 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.351 0.256 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.764 1.289 11.960 1.00 0.00 H new ATOM 913 N ALA A 65 10.729 2.254 9.358 1.00 0.00 N ATOM 914 CA ALA A 65 11.488 3.332 8.735 1.00 0.00 C ATOM 915 C ALA A 65 11.035 3.555 7.303 1.00 0.00 C ATOM 916 O ALA A 65 11.050 4.677 6.802 1.00 0.00 O ATOM 917 CB ALA A 65 12.975 3.023 8.767 1.00 0.00 C ATOM 0 H ALA A 65 11.304 1.489 9.710 1.00 0.00 H new ATOM 0 HA ALA A 65 11.305 4.244 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.526 3.838 8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.301 2.912 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.166 2.097 8.225 1.00 0.00 H new ATOM 923 N GLN A 66 10.623 2.478 6.647 1.00 0.00 N ATOM 924 CA GLN A 66 10.114 2.558 5.297 1.00 0.00 C ATOM 925 C GLN A 66 8.825 3.368 5.243 1.00 0.00 C ATOM 926 O GLN A 66 8.589 4.078 4.283 1.00 0.00 O ATOM 927 CB GLN A 66 9.892 1.157 4.757 1.00 0.00 C ATOM 928 CG GLN A 66 11.159 0.348 4.652 1.00 0.00 C ATOM 929 CD GLN A 66 12.024 0.789 3.496 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.058 1.968 3.139 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.711 -0.155 2.892 1.00 0.00 N ATOM 0 H GLN A 66 10.634 1.536 7.037 1.00 0.00 H new ATOM 0 HA GLN A 66 10.848 3.070 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.188 0.634 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.430 1.224 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.723 0.438 5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.906 -0.706 4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.653 -1.118 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.302 0.076 2.094 1.00 0.00 H new ATOM 940 N MET A 67 7.992 3.268 6.272 1.00 0.00 N ATOM 941 CA MET A 67 6.810 4.116 6.369 1.00 0.00 C ATOM 942 C MET A 67 7.196 5.575 6.503 1.00 0.00 C ATOM 943 O MET A 67 6.523 6.452 5.964 1.00 0.00 O ATOM 944 CB MET A 67 5.935 3.702 7.538 1.00 0.00 C ATOM 945 CG MET A 67 4.645 3.082 7.078 1.00 0.00 C ATOM 946 SD MET A 67 3.605 2.505 8.434 1.00 0.00 S ATOM 947 CE MET A 67 4.687 1.309 9.219 1.00 0.00 C ATOM 0 H MET A 67 8.111 2.614 7.045 1.00 0.00 H new ATOM 0 HA MET A 67 6.241 3.990 5.448 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.476 2.993 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.719 4.573 8.157 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.089 3.812 6.489 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.868 2.243 6.419 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.089 0.584 9.770 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.272 0.793 8.458 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.359 1.823 9.907 1.00 0.00 H new ATOM 957 N GLY A 68 8.283 5.831 7.214 1.00 0.00 N ATOM 958 CA GLY A 68 8.803 7.179 7.299 1.00 0.00 C ATOM 959 C GLY A 68 9.422 7.614 5.984 1.00 0.00 C ATOM 960 O GLY A 68 9.735 8.788 5.780 1.00 0.00 O ATOM 0 H GLY A 68 8.813 5.131 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.000 7.865 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.550 7.234 8.091 1.00 0.00 H new ATOM 964 N ASN A 69 9.612 6.642 5.102 1.00 0.00 N ATOM 965 CA ASN A 69 10.102 6.881 3.759 1.00 0.00 C ATOM 966 C ASN A 69 8.936 6.952 2.779 1.00 0.00 C ATOM 967 O ASN A 69 9.072 7.451 1.663 1.00 0.00 O ATOM 968 CB ASN A 69 11.028 5.739 3.350 1.00 0.00 C ATOM 969 CG ASN A 69 12.398 5.808 3.994 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.891 6.884 4.329 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.024 4.651 4.174 1.00 0.00 N ATOM 0 H ASN A 69 9.428 5.659 5.304 1.00 0.00 H new ATOM 0 HA ASN A 69 10.643 7.827 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.560 4.791 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.144 5.747 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.949 4.633 4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.580 3.780 3.882 1.00 0.00 H new ATOM 978 N GLY A 70 7.795 6.445 3.224 1.00 0.00 N ATOM 979 CA GLY A 70 6.597 6.430 2.403 1.00 0.00 C ATOM 980 C GLY A 70 6.380 5.096 1.716 1.00 0.00 C ATOM 981 O GLY A 70 5.873 5.042 0.602 1.00 0.00 O ATOM 0 H GLY A 70 7.676 6.038 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.732 6.660 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.666 7.215 1.650 1.00 0.00 H new ATOM 985 N PHE A 71 6.782 4.014 2.367 1.00 0.00 N ATOM 986 CA PHE A 71 6.655 2.680 1.788 1.00 0.00 C ATOM 987 C PHE A 71 5.875 1.764 2.722 1.00 0.00 C ATOM 988 O PHE A 71 6.103 1.756 3.932 1.00 0.00 O ATOM 989 CB PHE A 71 8.043 2.104 1.487 1.00 0.00 C ATOM 990 CG PHE A 71 8.896 3.036 0.680 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.357 3.694 -0.400 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.222 3.254 0.999 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.105 4.562 -1.156 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.989 4.121 0.247 1.00 0.00 C ATOM 995 CZ PHE A 71 10.428 4.779 -0.833 1.00 0.00 C ATOM 0 H PHE A 71 7.200 4.032 3.297 1.00 0.00 H new ATOM 0 HA PHE A 71 6.102 2.753 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.549 1.877 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.932 1.163 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.322 3.524 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.662 2.743 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.660 5.072 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.026 4.285 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.024 5.461 -1.421 1.00 0.00 H new ATOM 1005 N VAL A 72 4.950 0.993 2.148 1.00 0.00 N ATOM 1006 CA VAL A 72 3.977 0.226 2.923 1.00 0.00 C ATOM 1007 C VAL A 72 3.587 -1.070 2.216 1.00 0.00 C ATOM 1008 O VAL A 72 4.114 -1.386 1.161 1.00 0.00 O ATOM 1009 CB VAL A 72 2.709 1.069 3.163 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.043 2.299 3.976 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.074 1.455 1.830 1.00 0.00 C ATOM 0 H VAL A 72 4.855 0.884 1.138 1.00 0.00 H new ATOM 0 HA VAL A 72 4.445 -0.027 3.874 1.00 0.00 H new ATOM 0 HB VAL A 72 1.990 0.474 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.138 2.885 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.457 1.998 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.775 2.902 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.179 2.050 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.784 2.038 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.804 0.553 1.281 1.00 0.00 H new ATOM 1021 N LEU A 73 2.709 -1.845 2.839 1.00 0.00 N ATOM 1022 CA LEU A 73 2.110 -3.012 2.197 1.00 0.00 C ATOM 1023 C LEU A 73 0.684 -2.671 1.788 1.00 0.00 C ATOM 1024 O LEU A 73 -0.099 -2.225 2.615 1.00 0.00 O ATOM 1025 CB LEU A 73 2.110 -4.213 3.148 1.00 0.00 C ATOM 1026 CG LEU A 73 1.516 -5.506 2.577 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.334 -6.001 1.395 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.439 -6.576 3.655 1.00 0.00 C ATOM 0 H LEU A 73 2.393 -1.686 3.796 1.00 0.00 H new ATOM 0 HA LEU A 73 2.695 -3.278 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.137 -4.410 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.554 -3.944 4.046 1.00 0.00 H new ATOM 0 HG LEU A 73 0.506 -5.292 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.893 -6.919 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.339 -5.242 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.357 -6.197 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.015 -7.487 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.440 -6.783 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.807 -6.226 4.471 1.00 0.00 H new ATOM 1040 N THR A 74 0.345 -2.836 0.519 1.00 0.00 N ATOM 1041 CA THR A 74 -0.977 -2.430 0.065 1.00 0.00 C ATOM 1042 C THR A 74 -1.968 -3.595 0.026 1.00 0.00 C ATOM 1043 O THR A 74 -3.177 -3.366 -0.044 1.00 0.00 O ATOM 1044 CB THR A 74 -0.935 -1.719 -1.308 1.00 0.00 C ATOM 1045 OG1 THR A 74 -2.221 -1.174 -1.621 1.00 0.00 O ATOM 1046 CG2 THR A 74 -0.512 -2.666 -2.415 1.00 0.00 C ATOM 0 H THR A 74 0.948 -3.237 -0.199 1.00 0.00 H new ATOM 0 HA THR A 74 -1.332 -1.714 0.806 1.00 0.00 H new ATOM 0 HB THR A 74 -0.199 -0.918 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.911 -1.653 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.494 -2.131 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.483 -3.056 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.220 -3.492 -2.477 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.491 -4.839 0.069 1.00 0.00 N ATOM 1055 CA CYS A 75 -2.409 -5.960 -0.074 1.00 0.00 C ATOM 1056 C CYS A 75 -3.017 -6.358 1.276 1.00 0.00 C ATOM 1057 O CYS A 75 -4.237 -6.423 1.408 1.00 0.00 O ATOM 1058 CB CYS A 75 -1.734 -7.160 -0.771 1.00 0.00 C ATOM 1059 SG CYS A 75 -0.677 -8.187 0.283 1.00 0.00 S ATOM 0 H CYS A 75 -0.510 -5.088 0.197 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.227 -5.634 -0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.512 -7.792 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.134 -6.785 -1.600 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.175 -9.158 -0.421 1.00 0.00 H new ATOM 1064 N VAL A 76 -2.189 -6.576 2.292 1.00 0.00 N ATOM 1065 CA VAL A 76 -2.707 -6.968 3.603 1.00 0.00 C ATOM 1066 C VAL A 76 -2.329 -5.939 4.669 1.00 0.00 C ATOM 1067 O VAL A 76 -1.695 -6.246 5.680 1.00 0.00 O ATOM 1068 CB VAL A 76 -2.226 -8.374 4.019 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -3.017 -8.884 5.217 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -2.348 -9.343 2.858 1.00 0.00 C ATOM 0 H VAL A 76 -1.174 -6.491 2.239 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.793 -7.003 3.519 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.177 -8.302 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.661 -9.877 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.882 -8.204 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.075 -8.937 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.004 -10.329 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.390 -9.404 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.738 -8.992 2.026 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.725 -4.709 4.405 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.571 -3.600 5.331 1.00 0.00 C ATOM 1082 C ALA A 77 -3.651 -2.587 5.005 1.00 0.00 C ATOM 1083 O ALA A 77 -4.109 -2.548 3.865 1.00 0.00 O ATOM 1084 CB ALA A 77 -1.196 -2.973 5.202 1.00 0.00 C ATOM 0 H ALA A 77 -3.171 -4.446 3.526 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.668 -3.949 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.106 -2.145 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.433 -3.720 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.059 -2.602 4.186 1.00 0.00 H new ATOM 1090 N TYR A 78 -4.086 -1.794 5.969 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.115 -0.800 5.692 1.00 0.00 C ATOM 1092 C TYR A 78 -4.822 0.535 6.352 1.00 0.00 C ATOM 1093 O TYR A 78 -4.155 0.589 7.367 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.491 -1.286 6.123 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.565 -1.895 7.507 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.518 -1.100 8.639 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.686 -3.268 7.676 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.585 -1.653 9.903 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.762 -3.829 8.934 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.710 -3.019 10.044 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.774 -3.578 11.300 1.00 0.00 O ATOM 0 H TYR A 78 -3.753 -1.815 6.933 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.109 -0.655 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.184 -0.446 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.838 -2.025 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.427 -0.029 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.721 -3.908 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.540 -1.019 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.862 -4.898 9.046 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.862 -4.551 11.221 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.358 1.623 5.785 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.098 2.985 6.249 1.00 0.00 C ATOM 1113 C PRO A 79 -5.544 3.211 7.681 1.00 0.00 C ATOM 1114 O PRO A 79 -6.677 2.911 8.045 1.00 0.00 O ATOM 1115 CB PRO A 79 -5.927 3.858 5.304 1.00 0.00 C ATOM 1116 CG PRO A 79 -6.959 2.945 4.759 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.292 1.612 4.657 1.00 0.00 C ATOM 0 HA PRO A 79 -4.031 3.208 6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.379 4.696 5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.310 4.278 4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.830 2.900 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.310 3.285 3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.009 0.795 4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.774 1.492 3.705 1.00 0.00 H new ATOM 1125 N THR A 80 -4.641 3.721 8.495 1.00 0.00 N ATOM 1126 CA THR A 80 -5.000 4.162 9.832 1.00 0.00 C ATOM 1127 C THR A 80 -5.411 5.628 9.799 1.00 0.00 C ATOM 1128 O THR A 80 -5.791 6.210 10.818 1.00 0.00 O ATOM 1129 CB THR A 80 -3.837 3.960 10.819 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.612 4.416 10.228 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.706 2.498 11.209 1.00 0.00 C ATOM 0 H THR A 80 -3.656 3.841 8.257 1.00 0.00 H new ATOM 0 HA THR A 80 -5.839 3.558 10.176 1.00 0.00 H new ATOM 0 HB THR A 80 -4.045 4.540 11.718 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.875 4.287 10.861 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.877 2.381 11.907 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.629 2.164 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.517 1.899 10.318 1.00 0.00 H new ATOM 1139 N SER A 81 -5.324 6.217 8.614 1.00 0.00 N ATOM 1140 CA SER A 81 -5.805 7.568 8.383 1.00 0.00 C ATOM 1141 C SER A 81 -6.155 7.740 6.916 1.00 0.00 C ATOM 1142 O SER A 81 -5.965 6.832 6.107 1.00 0.00 O ATOM 1143 CB SER A 81 -4.758 8.606 8.778 1.00 0.00 C ATOM 1144 OG SER A 81 -5.296 9.918 8.776 1.00 0.00 O ATOM 0 H SER A 81 -4.919 5.772 7.790 1.00 0.00 H new ATOM 0 HA SER A 81 -6.690 7.722 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.370 8.373 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.917 8.556 8.087 1.00 0.00 H new ATOM 0 HG SER A 81 -4.600 10.557 9.035 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.647 8.914 6.589 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.031 9.243 5.232 1.00 0.00 C ATOM 1152 C ASP A 82 -5.775 9.570 4.445 1.00 0.00 C ATOM 1153 O ASP A 82 -5.113 10.573 4.708 1.00 0.00 O ATOM 1154 CB ASP A 82 -7.993 10.427 5.236 1.00 0.00 C ATOM 1155 CG ASP A 82 -9.324 10.097 5.887 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -9.431 10.214 7.130 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -10.272 9.724 5.160 1.00 0.00 O ATOM 0 H ASP A 82 -6.793 9.670 7.258 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.541 8.399 4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.532 11.263 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.166 10.753 4.210 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.437 8.720 3.495 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.118 8.762 2.889 1.00 0.00 C ATOM 1164 C CYS A 83 -4.171 8.695 1.374 1.00 0.00 C ATOM 1165 O CYS A 83 -5.234 8.751 0.761 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.307 7.589 3.432 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.011 5.969 3.066 1.00 0.00 S ATOM 0 H CYS A 83 -6.053 7.995 3.127 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.652 9.714 3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.300 7.636 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.214 7.696 4.513 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.249 5.042 3.566 1.00 0.00 H new ATOM 1173 N THR A 84 -2.995 8.614 0.794 1.00 0.00 N ATOM 1174 CA THR A 84 -2.816 8.401 -0.623 1.00 0.00 C ATOM 1175 C THR A 84 -1.724 7.379 -0.799 1.00 0.00 C ATOM 1176 O THR A 84 -0.601 7.599 -0.359 1.00 0.00 O ATOM 1177 CB THR A 84 -2.410 9.686 -1.351 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.517 10.595 -1.400 1.00 0.00 O ATOM 1179 CG2 THR A 84 -1.902 9.374 -2.757 1.00 0.00 C ATOM 0 H THR A 84 -2.117 8.696 1.307 1.00 0.00 H new ATOM 0 HA THR A 84 -3.762 8.065 -1.048 1.00 0.00 H new ATOM 0 HB THR A 84 -1.597 10.158 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.541 11.034 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.619 10.301 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.034 8.717 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.689 8.881 -3.327 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.038 6.266 -1.412 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.123 5.164 -1.446 1.00 0.00 C ATOM 1189 C ILE A 85 -0.809 4.752 -2.869 1.00 0.00 C ATOM 1190 O ILE A 85 -1.667 4.300 -3.611 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.655 3.958 -0.653 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -1.911 4.340 0.820 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.664 2.809 -0.747 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -0.908 5.303 1.410 1.00 0.00 C ATOM 0 H ILE A 85 -2.922 6.103 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.202 5.504 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.605 3.643 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.905 4.780 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.916 3.430 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.042 1.955 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.533 2.526 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.295 3.121 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.171 5.512 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.088 4.861 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.916 6.232 0.840 1.00 0.00 H new ATOM 1206 N GLN A 86 0.435 4.924 -3.227 1.00 0.00 N ATOM 1207 CA GLN A 86 0.948 4.523 -4.518 1.00 0.00 C ATOM 1208 C GLN A 86 0.966 2.993 -4.567 1.00 0.00 C ATOM 1209 O GLN A 86 1.316 2.352 -3.588 1.00 0.00 O ATOM 1210 CB GLN A 86 2.360 5.072 -4.612 1.00 0.00 C ATOM 1211 CG GLN A 86 2.623 6.028 -5.758 1.00 0.00 C ATOM 1212 CD GLN A 86 3.901 6.825 -5.539 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.038 7.947 -6.018 1.00 0.00 O ATOM 1214 NE2 GLN A 86 4.837 6.254 -4.785 1.00 0.00 N ATOM 0 H GLN A 86 1.136 5.353 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 86 0.341 4.895 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.594 5.582 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.050 4.233 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.698 5.468 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.781 6.712 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.686 5.320 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.706 6.751 -4.587 1.00 0.00 H new ATOM 1223 N THR A 87 0.591 2.406 -5.687 1.00 0.00 N ATOM 1224 CA THR A 87 0.401 0.955 -5.739 1.00 0.00 C ATOM 1225 C THR A 87 1.658 0.178 -6.159 1.00 0.00 C ATOM 1226 O THR A 87 2.397 -0.336 -5.324 1.00 0.00 O ATOM 1227 CB THR A 87 -0.754 0.601 -6.692 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.536 1.228 -7.960 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.079 1.070 -6.121 1.00 0.00 C ATOM 0 H THR A 87 0.412 2.895 -6.564 1.00 0.00 H new ATOM 0 HA THR A 87 0.166 0.651 -4.719 1.00 0.00 H new ATOM 0 HB THR A 87 -0.787 -0.482 -6.814 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.389 0.541 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.884 0.811 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.253 0.586 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.054 2.151 -5.983 1.00 0.00 H new ATOM 1237 N HIS A 88 1.895 0.141 -7.462 1.00 0.00 N ATOM 1238 CA HIS A 88 2.865 -0.775 -8.093 1.00 0.00 C ATOM 1239 C HIS A 88 4.334 -0.414 -7.856 1.00 0.00 C ATOM 1240 O HIS A 88 5.212 -0.883 -8.578 1.00 0.00 O ATOM 1241 CB HIS A 88 2.598 -0.832 -9.594 1.00 0.00 C ATOM 1242 CG HIS A 88 1.420 -1.679 -9.965 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.151 -1.471 -9.466 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.327 -2.754 -10.782 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.667 -2.381 -9.957 1.00 0.00 C ATOM 1246 NE2 HIS A 88 0.020 -3.172 -10.758 1.00 0.00 N ATOM 0 H HIS A 88 1.419 0.749 -8.129 1.00 0.00 H new ATOM 0 HA HIS A 88 2.715 -1.744 -7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.437 0.181 -9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.485 -1.218 -10.097 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.132 -3.200 -11.348 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.722 -2.465 -9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.358 -3.965 -11.275 1.00 0.00 H new ATOM 1255 N GLN A 89 4.610 0.402 -6.864 1.00 0.00 N ATOM 1256 CA GLN A 89 5.972 0.878 -6.631 1.00 0.00 C ATOM 1257 C GLN A 89 6.719 -0.012 -5.636 1.00 0.00 C ATOM 1258 O GLN A 89 7.465 0.479 -4.791 1.00 0.00 O ATOM 1259 CB GLN A 89 5.981 2.332 -6.163 1.00 0.00 C ATOM 1260 CG GLN A 89 4.613 2.975 -6.198 1.00 0.00 C ATOM 1261 CD GLN A 89 4.155 3.291 -7.609 1.00 0.00 C ATOM 1262 OE1 GLN A 89 4.959 3.603 -8.482 1.00 0.00 O ATOM 1263 NE2 GLN A 89 2.862 3.176 -7.847 1.00 0.00 N ATOM 0 H GLN A 89 3.918 0.754 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 89 6.496 0.825 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.371 2.378 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.662 2.906 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.890 2.310 -5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.632 3.894 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.226 2.914 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.499 3.349 -8.784 1.00 0.00 H new ATOM 1272 N GLU A 90 6.473 -1.313 -5.715 1.00 0.00 N ATOM 1273 CA GLU A 90 7.134 -2.304 -4.857 1.00 0.00 C ATOM 1274 C GLU A 90 8.633 -2.034 -4.691 1.00 0.00 C ATOM 1275 O GLU A 90 9.144 -2.010 -3.567 1.00 0.00 O ATOM 1276 CB GLU A 90 6.955 -3.695 -5.446 1.00 0.00 C ATOM 1277 CG GLU A 90 7.307 -3.771 -6.924 1.00 0.00 C ATOM 1278 CD GLU A 90 7.147 -5.159 -7.497 1.00 0.00 C ATOM 1279 OE1 GLU A 90 7.983 -6.032 -7.186 1.00 0.00 O ATOM 1280 OE2 GLU A 90 6.189 -5.383 -8.267 1.00 0.00 O ATOM 0 H GLU A 90 5.809 -1.718 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 90 6.667 -2.232 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.578 -4.399 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.921 -4.010 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.673 -3.079 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.337 -3.442 -7.064 1.00 0.00 H new ATOM 1287 N GLU A 91 9.303 -1.800 -5.820 1.00 0.00 N ATOM 1288 CA GLU A 91 10.749 -1.573 -5.880 1.00 0.00 C ATOM 1289 C GLU A 91 11.194 -0.516 -4.873 1.00 0.00 C ATOM 1290 O GLU A 91 12.314 -0.552 -4.373 1.00 0.00 O ATOM 1291 CB GLU A 91 11.139 -1.174 -7.312 1.00 0.00 C ATOM 1292 CG GLU A 91 12.575 -0.687 -7.488 1.00 0.00 C ATOM 1293 CD GLU A 91 13.605 -1.667 -6.974 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.540 -2.858 -7.346 1.00 0.00 O ATOM 1295 OE2 GLU A 91 14.498 -1.243 -6.215 1.00 0.00 O ATOM 0 H GLU A 91 8.850 -1.762 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 91 11.261 -2.497 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.982 -2.032 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.463 -0.388 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.760 -0.497 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.696 0.263 -6.967 1.00 0.00 H new ATOM 1302 N ALA A 92 10.297 0.411 -4.567 1.00 0.00 N ATOM 1303 CA ALA A 92 10.627 1.552 -3.726 1.00 0.00 C ATOM 1304 C ALA A 92 11.146 1.093 -2.360 1.00 0.00 C ATOM 1305 O ALA A 92 12.050 1.702 -1.792 1.00 0.00 O ATOM 1306 CB ALA A 92 9.415 2.442 -3.568 1.00 0.00 C ATOM 0 H ALA A 92 9.330 0.394 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 92 11.421 2.122 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.669 3.294 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.095 2.798 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.606 1.877 -3.105 1.00 0.00 H new ATOM 1312 N LEU A 93 10.558 0.016 -1.836 1.00 0.00 N ATOM 1313 CA LEU A 93 11.003 -0.573 -0.578 1.00 0.00 C ATOM 1314 C LEU A 93 12.265 -1.406 -0.807 1.00 0.00 C ATOM 1315 O LEU A 93 13.174 -1.415 0.023 1.00 0.00 O ATOM 1316 CB LEU A 93 9.883 -1.448 0.016 1.00 0.00 C ATOM 1317 CG LEU A 93 10.206 -2.931 0.200 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.932 -3.158 1.517 1.00 0.00 C ATOM 1319 CD2 LEU A 93 8.935 -3.761 0.131 1.00 0.00 C ATOM 0 H LEU A 93 9.769 -0.466 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 93 11.236 0.225 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.605 -1.036 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.007 -1.366 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 93 10.865 -3.248 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.154 -4.219 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.862 -2.590 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.301 -2.828 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.181 -4.815 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.251 -3.446 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.460 -3.619 -0.840 1.00 0.00 H new ATOM 1331 N TYR A 94 12.300 -2.091 -1.947 1.00 0.00 N ATOM 1332 CA TYR A 94 13.347 -3.062 -2.250 1.00 0.00 C ATOM 1333 C TYR A 94 14.723 -2.407 -2.247 1.00 0.00 C ATOM 1334 O TYR A 94 15.548 -2.677 -1.369 1.00 0.00 O ATOM 1335 CB TYR A 94 13.055 -3.727 -3.595 1.00 0.00 C ATOM 1336 CG TYR A 94 14.009 -4.840 -3.955 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.050 -6.009 -3.212 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.869 -4.717 -5.035 1.00 0.00 C ATOM 1339 CE1 TYR A 94 14.924 -7.027 -3.534 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.749 -5.731 -5.365 1.00 0.00 C ATOM 1341 CZ TYR A 94 15.771 -6.884 -4.610 1.00 0.00 C ATOM 1342 OH TYR A 94 16.644 -7.902 -4.931 1.00 0.00 O ATOM 0 H TYR A 94 11.604 -1.989 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 94 13.353 -3.827 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.040 -4.125 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.087 -2.969 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.387 -6.125 -2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.851 -3.815 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.944 -7.932 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.414 -5.620 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 94 17.171 -7.645 -5.716 1.00 0.00 H new