USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 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 53 ASN : amide:sc= 0.956 K(o=1.8,f=-1.7) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.84 K(o=1.8,f=-1.7) USER MOD Set 2.1: A 22 SER OG : rot -170:sc= 0.746 USER MOD Set 2.2: A 43 SER OG : rot 133:sc= 0.853 USER MOD Single : A 3 THR OG1 : rot -129:sc= 0.147 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=7.9e-05) USER MOD Single : A 9 THR OG1 : rot -44:sc= -0.818 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 1.26 (180deg=-0.0289) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 21 GLN : amide:sc= -0.0528 K(o=-0.053,f=-2) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.126 USER MOD Single : A 26 SER OG : rot 171:sc= -0.805 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 72:sc= 0.591 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= 0.94 (180deg=-0.902!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.03) USER MOD Single : A 52 THR OG1 : rot -105:sc= 1.43 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 57 SER OG : rot 180:sc= 0.105 USER MOD Single : A 62 ASN : amide:sc=-0.00157 X(o=-0.0016,f=-0.08) USER MOD Single : A 65 ASN : amide:sc= -4.92! C(o=-4.9!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -0.184 13.903 -4.743 1.00 0.00 N ATOM 15 CA ALA A 2 1.065 13.222 -4.442 1.00 0.00 C ATOM 16 C ALA A 2 1.526 13.528 -3.022 1.00 0.00 C ATOM 17 O ALA A 2 1.945 14.644 -2.719 1.00 0.00 O ATOM 18 CB ALA A 2 2.143 13.611 -5.444 1.00 0.00 C ATOM 0 HA ALA A 2 0.889 12.149 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.070 13.091 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.823 13.334 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.309 14.687 -5.400 1.00 0.00 H new ATOM 24 N THR A 3 1.444 12.528 -2.161 1.00 0.00 N ATOM 25 CA THR A 3 1.876 12.654 -0.781 1.00 0.00 C ATOM 26 C THR A 3 3.393 12.518 -0.680 1.00 0.00 C ATOM 27 O THR A 3 4.006 12.983 0.281 1.00 0.00 O ATOM 28 CB THR A 3 1.206 11.573 0.081 1.00 0.00 C ATOM 29 OG1 THR A 3 0.588 10.600 -0.777 1.00 0.00 O ATOM 30 CG2 THR A 3 0.164 12.180 1.006 1.00 0.00 C ATOM 0 H THR A 3 1.076 11.607 -2.399 1.00 0.00 H new ATOM 0 HA THR A 3 1.584 13.640 -0.418 1.00 0.00 H new ATOM 0 HB THR A 3 1.968 11.096 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.340 10.458 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.294 11.393 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.641 12.905 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.603 12.678 0.413 1.00 0.00 H new ATOM 38 N THR A 4 3.983 11.893 -1.702 1.00 0.00 N ATOM 39 CA THR A 4 5.425 11.643 -1.762 1.00 0.00 C ATOM 40 C THR A 4 5.849 10.553 -0.776 1.00 0.00 C ATOM 41 O THR A 4 5.599 10.646 0.424 1.00 0.00 O ATOM 42 CB THR A 4 6.247 12.923 -1.504 1.00 0.00 C ATOM 43 OG1 THR A 4 5.752 13.988 -2.329 1.00 0.00 O ATOM 44 CG2 THR A 4 7.725 12.690 -1.799 1.00 0.00 C ATOM 0 H THR A 4 3.472 11.545 -2.514 1.00 0.00 H new ATOM 0 HA THR A 4 5.633 11.301 -2.776 1.00 0.00 H new ATOM 0 HB THR A 4 6.144 13.193 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.274 14.800 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.283 13.607 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.104 11.895 -1.156 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.846 12.401 -2.843 1.00 0.00 H new ATOM 52 N ILE A 5 6.489 9.512 -1.294 1.00 0.00 N ATOM 53 CA ILE A 5 6.961 8.424 -0.458 1.00 0.00 C ATOM 54 C ILE A 5 8.485 8.452 -0.354 1.00 0.00 C ATOM 55 O ILE A 5 9.203 8.073 -1.284 1.00 0.00 O ATOM 56 CB ILE A 5 6.469 7.046 -0.974 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.052 5.912 -0.134 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.806 6.844 -2.444 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.000 4.969 0.403 1.00 0.00 C ATOM 0 H ILE A 5 6.691 9.401 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 5 6.540 8.566 0.538 1.00 0.00 H new ATOM 0 HB ILE A 5 5.384 7.031 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.762 5.348 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.611 6.336 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.446 5.868 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.328 7.623 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.886 6.896 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.479 4.186 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.304 5.522 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.457 4.518 -0.428 1.00 0.00 H new ATOM 71 N GLY A 6 8.967 8.964 0.763 1.00 0.00 N ATOM 72 CA GLY A 6 10.385 8.971 1.032 1.00 0.00 C ATOM 73 C GLY A 6 10.789 7.820 1.929 1.00 0.00 C ATOM 74 O GLY A 6 10.100 6.803 1.991 1.00 0.00 O ATOM 0 H GLY A 6 8.393 9.380 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.934 8.911 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.662 9.914 1.503 1.00 0.00 H new ATOM 78 N PRO A 7 11.900 7.957 2.660 1.00 0.00 N ATOM 79 CA PRO A 7 12.430 6.885 3.501 1.00 0.00 C ATOM 80 C PRO A 7 11.742 6.787 4.863 1.00 0.00 C ATOM 81 O PRO A 7 12.187 6.039 5.734 1.00 0.00 O ATOM 82 CB PRO A 7 13.892 7.286 3.667 1.00 0.00 C ATOM 83 CG PRO A 7 13.881 8.776 3.624 1.00 0.00 C ATOM 84 CD PRO A 7 12.739 9.170 2.720 1.00 0.00 C ATOM 0 HA PRO A 7 12.276 5.903 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.299 6.920 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.510 6.871 2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.747 9.192 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 7 14.827 9.160 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.186 10.019 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.094 9.460 1.731 1.00 0.00 H new ATOM 92 N ASN A 8 10.660 7.536 5.049 1.00 0.00 N ATOM 93 CA ASN A 8 9.951 7.528 6.328 1.00 0.00 C ATOM 94 C ASN A 8 8.474 7.885 6.164 1.00 0.00 C ATOM 95 O ASN A 8 7.901 8.596 6.988 1.00 0.00 O ATOM 96 CB ASN A 8 10.618 8.491 7.318 1.00 0.00 C ATOM 97 CG ASN A 8 10.494 8.025 8.759 1.00 0.00 C ATOM 98 OD1 ASN A 8 9.584 8.433 9.482 1.00 0.00 O ATOM 99 ND2 ASN A 8 11.410 7.172 9.191 1.00 0.00 N ATOM 0 H ASN A 8 10.257 8.150 4.341 1.00 0.00 H new ATOM 0 HA ASN A 8 10.006 6.513 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.673 8.596 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.167 9.478 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.376 6.831 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.149 6.856 8.563 1.00 0.00 H new ATOM 106 N THR A 9 7.857 7.406 5.095 1.00 0.00 N ATOM 107 CA THR A 9 6.421 7.572 4.922 1.00 0.00 C ATOM 108 C THR A 9 5.673 6.496 5.696 1.00 0.00 C ATOM 109 O THR A 9 4.959 6.786 6.656 1.00 0.00 O ATOM 110 CB THR A 9 6.034 7.494 3.441 1.00 0.00 C ATOM 111 OG1 THR A 9 7.183 7.787 2.648 1.00 0.00 O ATOM 112 CG2 THR A 9 4.916 8.474 3.114 1.00 0.00 C ATOM 0 H THR A 9 8.323 6.903 4.340 1.00 0.00 H new ATOM 0 HA THR A 9 6.148 8.555 5.304 1.00 0.00 H new ATOM 0 HB THR A 9 5.673 6.489 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.652 8.561 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.662 8.397 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.038 8.239 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.246 9.489 3.335 1.00 0.00 H new ATOM 120 N CYS A 10 5.862 5.253 5.286 1.00 0.00 N ATOM 121 CA CYS A 10 5.254 4.122 5.967 1.00 0.00 C ATOM 122 C CYS A 10 6.317 3.085 6.277 1.00 0.00 C ATOM 123 O CYS A 10 6.228 1.936 5.861 1.00 0.00 O ATOM 124 CB CYS A 10 4.134 3.513 5.118 1.00 0.00 C ATOM 125 SG CYS A 10 2.466 4.024 5.636 1.00 0.00 S ATOM 0 H CYS A 10 6.435 5.001 4.481 1.00 0.00 H new ATOM 0 HA CYS A 10 4.811 4.468 6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.284 3.796 4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.203 2.426 5.166 1.00 0.00 H new ATOM 130 N SER A 11 7.340 3.517 6.994 1.00 0.00 N ATOM 131 CA SER A 11 8.443 2.646 7.365 1.00 0.00 C ATOM 132 C SER A 11 8.576 2.581 8.884 1.00 0.00 C ATOM 133 O SER A 11 9.642 2.833 9.442 1.00 0.00 O ATOM 134 CB SER A 11 9.736 3.154 6.725 1.00 0.00 C ATOM 135 OG SER A 11 9.455 3.946 5.580 1.00 0.00 O ATOM 0 H SER A 11 7.430 4.475 7.334 1.00 0.00 H new ATOM 0 HA SER A 11 8.246 1.638 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.299 3.742 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.364 2.309 6.443 1.00 0.00 H new ATOM 0 HG SER A 11 10.295 4.262 5.187 1.00 0.00 H new ATOM 141 N ILE A 12 7.471 2.253 9.544 1.00 0.00 N ATOM 142 CA ILE A 12 7.440 2.179 11.000 1.00 0.00 C ATOM 143 C ILE A 12 8.186 0.944 11.493 1.00 0.00 C ATOM 144 O ILE A 12 9.207 1.052 12.168 1.00 0.00 O ATOM 145 CB ILE A 12 5.990 2.149 11.534 1.00 0.00 C ATOM 146 CG1 ILE A 12 5.168 3.293 10.928 1.00 0.00 C ATOM 147 CG2 ILE A 12 5.982 2.230 13.054 1.00 0.00 C ATOM 148 CD1 ILE A 12 5.698 4.677 11.253 1.00 0.00 C ATOM 0 H ILE A 12 6.583 2.034 9.093 1.00 0.00 H new ATOM 0 HA ILE A 12 7.932 3.075 11.379 1.00 0.00 H new ATOM 0 HB ILE A 12 5.532 1.205 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.140 3.172 9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.141 3.216 11.284 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.953 2.208 13.414 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.529 1.382 13.466 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.458 3.158 13.371 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.061 5.429 10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.700 4.821 12.333 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.714 4.776 10.872 1.00 0.00 H new ATOM 160 N ASP A 13 7.677 -0.224 11.138 1.00 0.00 N ATOM 161 CA ASP A 13 8.274 -1.486 11.557 1.00 0.00 C ATOM 162 C ASP A 13 8.083 -2.537 10.470 1.00 0.00 C ATOM 163 O ASP A 13 8.711 -2.463 9.415 1.00 0.00 O ATOM 164 CB ASP A 13 7.657 -1.960 12.875 1.00 0.00 C ATOM 165 CG ASP A 13 8.488 -3.030 13.554 1.00 0.00 C ATOM 166 OD1 ASP A 13 9.595 -2.711 14.035 1.00 0.00 O ATOM 167 OD2 ASP A 13 8.035 -4.193 13.604 1.00 0.00 O ATOM 0 H ASP A 13 6.845 -0.327 10.556 1.00 0.00 H new ATOM 0 HA ASP A 13 9.342 -1.334 11.716 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.547 -1.109 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.656 -2.348 12.685 1.00 0.00 H new ATOM 172 N ASP A 14 7.198 -3.499 10.715 1.00 0.00 N ATOM 173 CA ASP A 14 6.849 -4.489 9.698 1.00 0.00 C ATOM 174 C ASP A 14 5.757 -3.940 8.791 1.00 0.00 C ATOM 175 O ASP A 14 5.263 -4.621 7.895 1.00 0.00 O ATOM 176 CB ASP A 14 6.383 -5.797 10.338 1.00 0.00 C ATOM 177 CG ASP A 14 6.566 -6.991 9.417 1.00 0.00 C ATOM 178 OD1 ASP A 14 7.375 -6.903 8.466 1.00 0.00 O ATOM 179 OD2 ASP A 14 5.906 -8.026 9.650 1.00 0.00 O ATOM 0 H ASP A 14 6.711 -3.615 11.604 1.00 0.00 H new ATOM 0 HA ASP A 14 7.741 -4.697 9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.939 -5.965 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.331 -5.710 10.611 1.00 0.00 H new ATOM 184 N TYR A 15 5.378 -2.698 9.045 1.00 0.00 N ATOM 185 CA TYR A 15 4.444 -2.000 8.184 1.00 0.00 C ATOM 186 C TYR A 15 5.186 -1.508 6.958 1.00 0.00 C ATOM 187 O TYR A 15 6.064 -0.654 7.058 1.00 0.00 O ATOM 188 CB TYR A 15 3.795 -0.825 8.920 1.00 0.00 C ATOM 189 CG TYR A 15 3.143 -1.215 10.224 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.958 -1.939 10.241 1.00 0.00 C ATOM 191 CD2 TYR A 15 3.714 -0.861 11.439 1.00 0.00 C ATOM 192 CE1 TYR A 15 1.359 -2.299 11.431 1.00 0.00 C ATOM 193 CE2 TYR A 15 3.121 -1.216 12.634 1.00 0.00 C ATOM 194 CZ TYR A 15 1.945 -1.934 12.627 1.00 0.00 C ATOM 195 OH TYR A 15 1.355 -2.285 13.817 1.00 0.00 O ATOM 0 H TYR A 15 5.705 -2.153 9.843 1.00 0.00 H new ATOM 0 HA TYR A 15 3.649 -2.684 7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.553 -0.066 9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.047 -0.369 8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.497 -2.225 9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.636 -0.299 11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.438 -2.863 11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.577 -0.932 13.571 1.00 0.00 H new ATOM 0 HH TYR A 15 1.897 -1.951 14.562 1.00 0.00 H new ATOM 205 N LYS A 16 4.846 -2.077 5.819 1.00 0.00 N ATOM 206 CA LYS A 16 5.537 -1.786 4.577 1.00 0.00 C ATOM 207 C LYS A 16 4.984 -0.519 3.937 1.00 0.00 C ATOM 208 O LYS A 16 3.864 -0.097 4.242 1.00 0.00 O ATOM 209 CB LYS A 16 5.399 -2.968 3.614 1.00 0.00 C ATOM 210 CG LYS A 16 5.386 -4.323 4.304 1.00 0.00 C ATOM 211 CD LYS A 16 6.710 -5.048 4.139 1.00 0.00 C ATOM 212 CE LYS A 16 7.486 -5.093 5.446 1.00 0.00 C ATOM 213 NZ LYS A 16 7.804 -6.484 5.864 1.00 0.00 N ATOM 0 H LYS A 16 4.086 -2.751 5.727 1.00 0.00 H new ATOM 0 HA LYS A 16 6.593 -1.626 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.478 -2.853 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.223 -2.942 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.174 -4.190 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.582 -4.934 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.529 -6.064 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.307 -4.548 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.412 -4.528 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.905 -4.604 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.001 -6.503 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.995 -7.103 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.640 -6.820 5.344 1.00 0.00 H new ATOM 227 N PRO A 17 5.759 0.110 3.041 1.00 0.00 N ATOM 228 CA PRO A 17 5.324 1.302 2.335 1.00 0.00 C ATOM 229 C PRO A 17 4.389 0.946 1.193 1.00 0.00 C ATOM 230 O PRO A 17 4.816 0.458 0.147 1.00 0.00 O ATOM 231 CB PRO A 17 6.623 1.919 1.797 1.00 0.00 C ATOM 232 CG PRO A 17 7.738 1.031 2.253 1.00 0.00 C ATOM 233 CD PRO A 17 7.116 -0.279 2.651 1.00 0.00 C ATOM 0 HA PRO A 17 4.770 1.985 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.600 1.984 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.756 2.933 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.467 0.886 1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.269 1.478 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.111 -0.991 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.654 -0.749 3.474 1.00 0.00 H new ATOM 241 N TYR A 18 3.108 1.179 1.403 1.00 0.00 N ATOM 242 CA TYR A 18 2.102 0.786 0.439 1.00 0.00 C ATOM 243 C TYR A 18 1.398 1.993 -0.158 1.00 0.00 C ATOM 244 O TYR A 18 0.854 2.831 0.564 1.00 0.00 O ATOM 245 CB TYR A 18 1.075 -0.123 1.104 1.00 0.00 C ATOM 246 CG TYR A 18 1.581 -1.512 1.392 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.430 -2.162 0.504 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.208 -2.177 2.550 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.888 -3.437 0.764 1.00 0.00 C ATOM 250 CE2 TYR A 18 1.661 -3.452 2.816 1.00 0.00 C ATOM 251 CZ TYR A 18 2.502 -4.078 1.922 1.00 0.00 C ATOM 252 OH TYR A 18 2.952 -5.349 2.185 1.00 0.00 O ATOM 0 H TYR A 18 2.740 1.640 2.235 1.00 0.00 H new ATOM 0 HA TYR A 18 2.605 0.252 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.750 0.335 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.197 -0.193 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.736 -1.662 -0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.552 -1.688 3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.546 -3.931 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.358 -3.958 3.721 1.00 0.00 H new ATOM 0 HH TYR A 18 2.587 -5.654 3.042 1.00 0.00 H new ATOM 262 N CYS A 19 1.416 2.080 -1.475 1.00 0.00 N ATOM 263 CA CYS A 19 0.632 3.077 -2.177 1.00 0.00 C ATOM 264 C CYS A 19 -0.688 2.445 -2.589 1.00 0.00 C ATOM 265 O CYS A 19 -0.757 1.697 -3.569 1.00 0.00 O ATOM 266 CB CYS A 19 1.388 3.609 -3.398 1.00 0.00 C ATOM 267 SG CYS A 19 2.654 4.861 -2.996 1.00 0.00 S ATOM 0 H CYS A 19 1.966 1.471 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 19 0.445 3.927 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.867 2.774 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.672 4.042 -4.096 1.00 0.00 H new ATOM 272 N CYS A 20 -1.728 2.722 -1.823 1.00 0.00 N ATOM 273 CA CYS A 20 -2.998 2.049 -2.002 1.00 0.00 C ATOM 274 C CYS A 20 -3.915 2.810 -2.935 1.00 0.00 C ATOM 275 O CYS A 20 -4.093 4.025 -2.811 1.00 0.00 O ATOM 276 CB CYS A 20 -3.695 1.845 -0.659 1.00 0.00 C ATOM 277 SG CYS A 20 -3.814 0.101 -0.155 1.00 0.00 S ATOM 0 H CYS A 20 -1.716 3.410 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.782 1.080 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.155 2.400 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.698 2.268 -0.712 1.00 0.00 H new ATOM 282 N GLN A 21 -4.490 2.084 -3.873 1.00 0.00 N ATOM 283 CA GLN A 21 -5.533 2.621 -4.717 1.00 0.00 C ATOM 284 C GLN A 21 -6.865 2.426 -4.009 1.00 0.00 C ATOM 285 O GLN A 21 -7.598 1.471 -4.279 1.00 0.00 O ATOM 286 CB GLN A 21 -5.534 1.929 -6.087 1.00 0.00 C ATOM 287 CG GLN A 21 -4.143 1.702 -6.666 1.00 0.00 C ATOM 288 CD GLN A 21 -3.443 2.992 -7.054 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.016 4.077 -6.963 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.199 2.880 -7.492 1.00 0.00 N ATOM 0 H GLN A 21 -4.248 1.113 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.360 3.683 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.041 0.968 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.114 2.531 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.534 1.170 -5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.221 1.060 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.760 1.961 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.679 3.713 -7.769 1.00 0.00 H new ATOM 299 N SER A 22 -7.150 3.319 -3.077 1.00 0.00 N ATOM 300 CA SER A 22 -8.328 3.203 -2.238 1.00 0.00 C ATOM 301 C SER A 22 -9.568 3.643 -2.997 1.00 0.00 C ATOM 302 O SER A 22 -9.674 4.792 -3.433 1.00 0.00 O ATOM 303 CB SER A 22 -8.141 4.040 -0.973 1.00 0.00 C ATOM 304 OG SER A 22 -6.766 4.133 -0.631 1.00 0.00 O ATOM 0 H SER A 22 -6.575 4.139 -2.882 1.00 0.00 H new ATOM 0 HA SER A 22 -8.462 2.159 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.551 5.038 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.696 3.592 -0.149 1.00 0.00 H new ATOM 0 HG SER A 22 -6.677 4.534 0.259 1.00 0.00 H new ATOM 310 N MET A 23 -10.496 2.712 -3.158 1.00 0.00 N ATOM 311 CA MET A 23 -11.700 2.946 -3.938 1.00 0.00 C ATOM 312 C MET A 23 -12.826 3.463 -3.057 1.00 0.00 C ATOM 313 O MET A 23 -12.660 3.621 -1.848 1.00 0.00 O ATOM 314 CB MET A 23 -12.139 1.656 -4.630 1.00 0.00 C ATOM 315 CG MET A 23 -11.053 1.006 -5.465 1.00 0.00 C ATOM 316 SD MET A 23 -11.148 -0.792 -5.426 1.00 0.00 S ATOM 317 CE MET A 23 -9.579 -1.230 -6.165 1.00 0.00 C ATOM 0 H MET A 23 -10.436 1.778 -2.754 1.00 0.00 H new ATOM 0 HA MET A 23 -11.473 3.701 -4.691 1.00 0.00 H new ATOM 0 HB2 MET A 23 -12.476 0.947 -3.874 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.995 1.871 -5.269 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.135 1.350 -6.496 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.077 1.324 -5.100 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.489 -2.315 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.524 -0.818 -7.173 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.767 -0.824 -5.562 1.00 0.00 H new ATOM 327 N SER A 24 -13.978 3.705 -3.663 1.00 0.00 N ATOM 328 CA SER A 24 -15.131 4.207 -2.937 1.00 0.00 C ATOM 329 C SER A 24 -15.996 3.055 -2.423 1.00 0.00 C ATOM 330 O SER A 24 -17.197 3.214 -2.212 1.00 0.00 O ATOM 331 CB SER A 24 -15.947 5.114 -3.855 1.00 0.00 C ATOM 332 OG SER A 24 -15.520 4.973 -5.202 1.00 0.00 O ATOM 0 H SER A 24 -14.138 3.561 -4.660 1.00 0.00 H new ATOM 0 HA SER A 24 -14.786 4.776 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.005 4.865 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.839 6.152 -3.540 1.00 0.00 H new ATOM 0 HG SER A 24 -16.054 5.560 -5.778 1.00 0.00 H new ATOM 338 N GLY A 25 -15.376 1.896 -2.222 1.00 0.00 N ATOM 339 CA GLY A 25 -16.101 0.744 -1.723 1.00 0.00 C ATOM 340 C GLY A 25 -16.222 -0.364 -2.751 1.00 0.00 C ATOM 341 O GLY A 25 -16.754 -1.432 -2.454 1.00 0.00 O ATOM 0 H GLY A 25 -14.384 1.735 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.596 0.358 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.098 1.055 -1.411 1.00 0.00 H new ATOM 345 N SER A 26 -15.721 -0.105 -3.956 1.00 0.00 N ATOM 346 CA SER A 26 -15.771 -1.074 -5.047 1.00 0.00 C ATOM 347 C SER A 26 -15.098 -2.390 -4.656 1.00 0.00 C ATOM 348 O SER A 26 -15.726 -3.449 -4.671 1.00 0.00 O ATOM 349 CB SER A 26 -15.095 -0.471 -6.276 1.00 0.00 C ATOM 350 OG SER A 26 -14.847 0.913 -6.076 1.00 0.00 O ATOM 0 H SER A 26 -15.272 0.777 -4.203 1.00 0.00 H new ATOM 0 HA SER A 26 -16.814 -1.299 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.157 -0.990 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.728 -0.611 -7.152 1.00 0.00 H new ATOM 0 HG SER A 26 -14.287 1.254 -6.805 1.00 0.00 H new ATOM 356 N ALA A 27 -13.822 -2.315 -4.306 1.00 0.00 N ATOM 357 CA ALA A 27 -13.084 -3.477 -3.835 1.00 0.00 C ATOM 358 C ALA A 27 -12.141 -3.060 -2.715 1.00 0.00 C ATOM 359 O ALA A 27 -10.990 -3.495 -2.657 1.00 0.00 O ATOM 360 CB ALA A 27 -12.316 -4.127 -4.981 1.00 0.00 C ATOM 0 H ALA A 27 -13.274 -1.456 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.787 -4.215 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.771 -4.994 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.016 -4.444 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.612 -3.409 -5.401 1.00 0.00 H new ATOM 366 N SER A 28 -12.655 -2.205 -1.833 1.00 0.00 N ATOM 367 CA SER A 28 -11.885 -1.656 -0.722 1.00 0.00 C ATOM 368 C SER A 28 -10.658 -0.886 -1.225 1.00 0.00 C ATOM 369 O SER A 28 -10.786 0.247 -1.700 1.00 0.00 O ATOM 370 CB SER A 28 -11.491 -2.776 0.249 1.00 0.00 C ATOM 371 OG SER A 28 -12.625 -3.559 0.602 1.00 0.00 O ATOM 0 H SER A 28 -13.619 -1.874 -1.870 1.00 0.00 H new ATOM 0 HA SER A 28 -12.509 -0.943 -0.184 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.733 -3.411 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.046 -2.346 1.147 1.00 0.00 H new ATOM 0 HG SER A 28 -12.353 -4.269 1.220 1.00 0.00 H new ATOM 377 N LEU A 29 -9.479 -1.494 -1.135 1.00 0.00 N ATOM 378 CA LEU A 29 -8.255 -0.833 -1.565 1.00 0.00 C ATOM 379 C LEU A 29 -7.241 -1.842 -2.082 1.00 0.00 C ATOM 380 O LEU A 29 -6.969 -2.857 -1.439 1.00 0.00 O ATOM 381 CB LEU A 29 -7.633 -0.025 -0.420 1.00 0.00 C ATOM 382 CG LEU A 29 -8.135 -0.369 0.983 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.034 -1.029 1.798 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.637 0.883 1.681 1.00 0.00 C ATOM 0 H LEU A 29 -9.347 -2.437 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.522 -0.153 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.553 -0.167 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.819 1.033 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.962 -1.074 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.410 -1.266 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.715 -1.946 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.187 -0.349 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.992 0.626 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.825 1.606 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.455 1.317 1.106 1.00 0.00 H new ATOM 396 N GLY A 30 -6.692 -1.555 -3.250 1.00 0.00 N ATOM 397 CA GLY A 30 -5.640 -2.380 -3.805 1.00 0.00 C ATOM 398 C GLY A 30 -4.297 -1.702 -3.661 1.00 0.00 C ATOM 399 O GLY A 30 -4.087 -0.615 -4.199 1.00 0.00 O ATOM 0 H GLY A 30 -6.958 -0.758 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.622 -3.345 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.843 -2.577 -4.858 1.00 0.00 H new ATOM 403 N CYS A 31 -3.390 -2.326 -2.933 1.00 0.00 N ATOM 404 CA CYS A 31 -2.131 -1.688 -2.593 1.00 0.00 C ATOM 405 C CYS A 31 -0.994 -2.169 -3.481 1.00 0.00 C ATOM 406 O CYS A 31 -0.928 -3.342 -3.854 1.00 0.00 O ATOM 407 CB CYS A 31 -1.794 -1.956 -1.128 1.00 0.00 C ATOM 408 SG CYS A 31 -1.874 -0.479 -0.067 1.00 0.00 S ATOM 0 H CYS A 31 -3.500 -3.271 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.247 -0.616 -2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.481 -2.707 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.792 -2.380 -1.068 1.00 0.00 H new ATOM 413 N VAL A 32 -0.119 -1.240 -3.835 1.00 0.00 N ATOM 414 CA VAL A 32 1.111 -1.561 -4.535 1.00 0.00 C ATOM 415 C VAL A 32 2.292 -1.178 -3.659 1.00 0.00 C ATOM 416 O VAL A 32 2.172 -0.298 -2.802 1.00 0.00 O ATOM 417 CB VAL A 32 1.225 -0.820 -5.887 1.00 0.00 C ATOM 418 CG1 VAL A 32 2.113 -1.599 -6.848 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.145 -0.575 -6.496 1.00 0.00 C ATOM 0 H VAL A 32 -0.243 -0.246 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 32 1.107 -2.631 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 32 1.684 0.151 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.182 -1.063 -7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.109 -1.706 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.684 -2.586 -7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.033 -0.052 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.645 -1.529 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.742 0.033 -5.816 1.00 0.00 H new ATOM 429 N VAL A 33 3.417 -1.848 -3.849 1.00 0.00 N ATOM 430 CA VAL A 33 4.612 -1.551 -3.072 1.00 0.00 C ATOM 431 C VAL A 33 5.178 -0.189 -3.462 1.00 0.00 C ATOM 432 O VAL A 33 5.702 -0.014 -4.567 1.00 0.00 O ATOM 433 CB VAL A 33 5.700 -2.631 -3.254 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.806 -2.460 -2.223 1.00 0.00 C ATOM 435 CG2 VAL A 33 5.094 -4.020 -3.147 1.00 0.00 C ATOM 0 H VAL A 33 3.529 -2.598 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 33 4.317 -1.539 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 33 6.132 -2.514 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.562 -3.231 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.263 -1.477 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.386 -2.549 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.875 -4.769 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.635 -4.142 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.337 -4.147 -3.920 1.00 0.00 H new ATOM 445 N GLY A 34 5.065 0.766 -2.550 1.00 0.00 N ATOM 446 CA GLY A 34 5.527 2.108 -2.813 1.00 0.00 C ATOM 447 C GLY A 34 7.028 2.221 -2.694 1.00 0.00 C ATOM 448 O GLY A 34 7.569 2.272 -1.591 1.00 0.00 O ATOM 0 H GLY A 34 4.657 0.630 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.219 2.408 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.055 2.798 -2.114 1.00 0.00 H new ATOM 452 N VAL A 35 7.700 2.244 -3.831 1.00 0.00 N ATOM 453 CA VAL A 35 9.149 2.342 -3.853 1.00 0.00 C ATOM 454 C VAL A 35 9.600 3.714 -3.366 1.00 0.00 C ATOM 455 O VAL A 35 9.159 4.745 -3.886 1.00 0.00 O ATOM 456 CB VAL A 35 9.733 2.079 -5.258 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.731 0.934 -5.213 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.632 1.789 -6.270 1.00 0.00 C ATOM 0 H VAL A 35 7.265 2.196 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 35 9.526 1.570 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 35 10.252 2.982 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.133 0.762 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.545 1.187 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.233 0.030 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.076 1.608 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.073 0.907 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.958 2.644 -6.329 1.00 0.00 H new ATOM 468 N ILE A 36 10.466 3.712 -2.360 1.00 0.00 N ATOM 469 CA ILE A 36 10.987 4.941 -1.779 1.00 0.00 C ATOM 470 C ILE A 36 11.653 5.814 -2.841 1.00 0.00 C ATOM 471 O ILE A 36 12.554 5.366 -3.552 1.00 0.00 O ATOM 472 CB ILE A 36 12.001 4.629 -0.656 1.00 0.00 C ATOM 473 CG1 ILE A 36 11.298 3.954 0.523 1.00 0.00 C ATOM 474 CG2 ILE A 36 12.710 5.896 -0.196 1.00 0.00 C ATOM 475 CD1 ILE A 36 12.161 2.940 1.238 1.00 0.00 C ATOM 0 H ILE A 36 10.825 2.862 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 36 10.143 5.486 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 36 12.751 3.946 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.984 4.718 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.394 3.462 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.418 5.650 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.244 6.340 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.976 6.607 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.599 2.501 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.454 2.156 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.053 3.431 1.628 1.00 0.00 H new ATOM 487 N GLY A 37 11.185 7.049 -2.959 1.00 0.00 N ATOM 488 CA GLY A 37 11.785 7.985 -3.887 1.00 0.00 C ATOM 489 C GLY A 37 10.968 8.166 -5.152 1.00 0.00 C ATOM 490 O GLY A 37 11.251 9.054 -5.951 1.00 0.00 O ATOM 0 H GLY A 37 10.398 7.420 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.904 8.951 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.783 7.637 -4.152 1.00 0.00 H new ATOM 494 N SER A 38 9.944 7.343 -5.331 1.00 0.00 N ATOM 495 CA SER A 38 9.143 7.396 -6.551 1.00 0.00 C ATOM 496 C SER A 38 7.886 8.236 -6.362 1.00 0.00 C ATOM 497 O SER A 38 7.112 8.421 -7.304 1.00 0.00 O ATOM 498 CB SER A 38 8.767 5.983 -6.992 1.00 0.00 C ATOM 499 OG SER A 38 9.710 5.038 -6.512 1.00 0.00 O ATOM 0 H SER A 38 9.649 6.637 -4.656 1.00 0.00 H new ATOM 0 HA SER A 38 9.747 7.870 -7.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.773 5.733 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.721 5.937 -8.080 1.00 0.00 H new ATOM 0 HG SER A 38 9.605 4.935 -5.543 1.00 0.00 H new ATOM 505 N GLN A 39 7.701 8.742 -5.142 1.00 0.00 N ATOM 506 CA GLN A 39 6.531 9.550 -4.785 1.00 0.00 C ATOM 507 C GLN A 39 5.249 8.712 -4.800 1.00 0.00 C ATOM 508 O GLN A 39 5.105 7.778 -5.585 1.00 0.00 O ATOM 509 CB GLN A 39 6.383 10.751 -5.723 1.00 0.00 C ATOM 510 CG GLN A 39 6.942 12.040 -5.157 1.00 0.00 C ATOM 511 CD GLN A 39 8.260 12.431 -5.795 1.00 0.00 C ATOM 512 OE1 GLN A 39 9.327 12.251 -5.209 1.00 0.00 O ATOM 513 NE2 GLN A 39 8.191 12.971 -7.001 1.00 0.00 N ATOM 0 H GLN A 39 8.357 8.604 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 39 6.690 9.917 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.886 10.530 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.327 10.893 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.219 12.842 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.081 11.931 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.285 13.102 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.044 13.256 -7.482 1.00 0.00 H new ATOM 522 N CYS A 40 4.325 9.033 -3.912 1.00 0.00 N ATOM 523 CA CYS A 40 3.052 8.334 -3.866 1.00 0.00 C ATOM 524 C CYS A 40 1.945 9.249 -4.360 1.00 0.00 C ATOM 525 O CYS A 40 1.725 10.318 -3.798 1.00 0.00 O ATOM 526 CB CYS A 40 2.751 7.850 -2.446 1.00 0.00 C ATOM 527 SG CYS A 40 1.573 6.458 -2.364 1.00 0.00 S ATOM 0 H CYS A 40 4.431 9.770 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 40 3.108 7.461 -4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.685 7.549 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.353 8.683 -1.867 1.00 0.00 H new ATOM 532 N GLY A 41 1.267 8.832 -5.420 1.00 0.00 N ATOM 533 CA GLY A 41 0.215 9.645 -5.997 1.00 0.00 C ATOM 534 C GLY A 41 -1.162 9.192 -5.561 1.00 0.00 C ATOM 535 O GLY A 41 -2.164 9.511 -6.205 1.00 0.00 O ATOM 0 H GLY A 41 1.427 7.942 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.362 10.685 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.282 9.604 -7.084 1.00 0.00 H new ATOM 539 N ALA A 42 -1.206 8.448 -4.467 1.00 0.00 N ATOM 540 CA ALA A 42 -2.455 7.943 -3.924 1.00 0.00 C ATOM 541 C ALA A 42 -2.416 7.975 -2.399 1.00 0.00 C ATOM 542 O ALA A 42 -1.712 8.798 -1.808 1.00 0.00 O ATOM 543 CB ALA A 42 -2.715 6.531 -4.432 1.00 0.00 C ATOM 0 H ALA A 42 -0.380 8.179 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.273 8.582 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.654 6.163 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.777 6.542 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.900 5.877 -4.121 1.00 0.00 H new ATOM 549 N SER A 43 -3.159 7.085 -1.761 1.00 0.00 N ATOM 550 CA SER A 43 -3.185 7.017 -0.312 1.00 0.00 C ATOM 551 C SER A 43 -2.111 6.063 0.204 1.00 0.00 C ATOM 552 O SER A 43 -2.112 4.876 -0.121 1.00 0.00 O ATOM 553 CB SER A 43 -4.565 6.562 0.160 1.00 0.00 C ATOM 554 OG SER A 43 -5.523 6.686 -0.883 1.00 0.00 O ATOM 0 H SER A 43 -3.753 6.399 -2.227 1.00 0.00 H new ATOM 0 HA SER A 43 -2.979 8.010 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.516 5.525 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.876 7.159 1.018 1.00 0.00 H new ATOM 0 HG SER A 43 -6.055 5.865 -0.938 1.00 0.00 H new ATOM 560 N VAL A 44 -1.185 6.589 0.990 1.00 0.00 N ATOM 561 CA VAL A 44 -0.145 5.765 1.594 1.00 0.00 C ATOM 562 C VAL A 44 -0.705 5.037 2.808 1.00 0.00 C ATOM 563 O VAL A 44 -0.988 5.655 3.836 1.00 0.00 O ATOM 564 CB VAL A 44 1.083 6.593 2.028 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.340 5.738 1.992 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.250 7.818 1.149 1.00 0.00 C ATOM 0 H VAL A 44 -1.130 7.580 1.225 1.00 0.00 H new ATOM 0 HA VAL A 44 0.181 5.053 0.836 1.00 0.00 H new ATOM 0 HB VAL A 44 0.920 6.930 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.197 6.337 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.225 4.893 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.501 5.370 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.122 8.384 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.387 7.507 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.361 8.445 1.225 1.00 0.00 H new ATOM 576 N LYS A 45 -0.875 3.732 2.683 1.00 0.00 N ATOM 577 CA LYS A 45 -1.463 2.940 3.750 1.00 0.00 C ATOM 578 C LYS A 45 -0.390 2.158 4.492 1.00 0.00 C ATOM 579 O LYS A 45 0.358 1.383 3.893 1.00 0.00 O ATOM 580 CB LYS A 45 -2.519 1.987 3.186 1.00 0.00 C ATOM 581 CG LYS A 45 -3.830 2.670 2.832 1.00 0.00 C ATOM 582 CD LYS A 45 -4.632 3.023 4.075 1.00 0.00 C ATOM 583 CE LYS A 45 -5.909 2.200 4.169 1.00 0.00 C ATOM 584 NZ LYS A 45 -6.693 2.528 5.391 1.00 0.00 N ATOM 0 H LYS A 45 -0.614 3.198 1.854 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.944 3.618 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.120 1.502 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.714 1.201 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.626 3.576 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.421 2.015 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.023 2.853 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.882 4.084 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.522 2.379 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.658 1.139 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.696 1.709 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.261 3.343 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.670 2.762 5.124 1.00 0.00 H new ATOM 598 N CYS A 46 -0.307 2.376 5.793 1.00 0.00 N ATOM 599 CA CYS A 46 0.666 1.683 6.618 1.00 0.00 C ATOM 600 C CYS A 46 0.118 0.324 7.038 1.00 0.00 C ATOM 601 O CYS A 46 -0.559 0.202 8.062 1.00 0.00 O ATOM 602 CB CYS A 46 1.011 2.522 7.851 1.00 0.00 C ATOM 603 SG CYS A 46 2.439 3.634 7.630 1.00 0.00 S ATOM 0 H CYS A 46 -0.903 3.029 6.301 1.00 0.00 H new ATOM 0 HA CYS A 46 1.576 1.531 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.141 3.118 8.125 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.214 1.852 8.686 1.00 0.00 H new ATOM 608 N CYS A 47 0.394 -0.693 6.237 1.00 0.00 N ATOM 609 CA CYS A 47 -0.128 -2.024 6.493 1.00 0.00 C ATOM 610 C CYS A 47 1.001 -3.033 6.579 1.00 0.00 C ATOM 611 O CYS A 47 2.097 -2.795 6.073 1.00 0.00 O ATOM 612 CB CYS A 47 -1.099 -2.433 5.383 1.00 0.00 C ATOM 613 SG CYS A 47 -2.205 -1.096 4.828 1.00 0.00 S ATOM 0 H CYS A 47 0.977 -0.621 5.403 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.657 -2.006 7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.526 -2.793 4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.705 -3.268 5.735 1.00 0.00 H new ATOM 618 N LYS A 48 0.734 -4.153 7.229 1.00 0.00 N ATOM 619 CA LYS A 48 1.689 -5.244 7.280 1.00 0.00 C ATOM 620 C LYS A 48 1.243 -6.307 6.300 1.00 0.00 C ATOM 621 O LYS A 48 2.021 -6.787 5.475 1.00 0.00 O ATOM 622 CB LYS A 48 1.768 -5.823 8.698 1.00 0.00 C ATOM 623 CG LYS A 48 2.612 -7.086 8.802 1.00 0.00 C ATOM 624 CD LYS A 48 2.044 -8.051 9.832 1.00 0.00 C ATOM 625 CE LYS A 48 2.429 -9.494 9.523 1.00 0.00 C ATOM 626 NZ LYS A 48 1.273 -10.282 9.020 1.00 0.00 N ATOM 0 H LYS A 48 -0.137 -4.330 7.729 1.00 0.00 H new ATOM 0 HA LYS A 48 2.682 -4.883 7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.179 -5.067 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.759 -6.042 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.658 -7.576 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.634 -6.821 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.408 -7.781 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.958 -7.961 9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.227 -9.506 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.825 -9.965 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.428 -11.291 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.404 -9.966 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.177 -10.141 7.994 1.00 0.00 H new ATOM 640 N ASP A 49 -0.045 -6.627 6.393 1.00 0.00 N ATOM 641 CA ASP A 49 -0.682 -7.634 5.556 1.00 0.00 C ATOM 642 C ASP A 49 0.119 -8.936 5.550 1.00 0.00 C ATOM 643 O ASP A 49 0.623 -9.367 6.590 1.00 0.00 O ATOM 644 CB ASP A 49 -0.886 -7.116 4.132 1.00 0.00 C ATOM 645 CG ASP A 49 -2.073 -7.776 3.465 1.00 0.00 C ATOM 646 OD1 ASP A 49 -3.220 -7.503 3.883 1.00 0.00 O ATOM 647 OD2 ASP A 49 -1.859 -8.595 2.549 1.00 0.00 O ATOM 0 H ASP A 49 -0.681 -6.188 7.059 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.662 -7.845 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.034 -6.036 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.013 -7.302 3.544 1.00 0.00 H new ATOM 652 N ASP A 50 0.228 -9.560 4.389 1.00 0.00 N ATOM 653 CA ASP A 50 1.030 -10.764 4.246 1.00 0.00 C ATOM 654 C ASP A 50 1.718 -10.787 2.890 1.00 0.00 C ATOM 655 O ASP A 50 1.168 -11.286 1.904 1.00 0.00 O ATOM 656 CB ASP A 50 0.165 -12.014 4.424 1.00 0.00 C ATOM 657 CG ASP A 50 0.982 -13.290 4.402 1.00 0.00 C ATOM 658 OD1 ASP A 50 1.730 -13.541 5.372 1.00 0.00 O ATOM 659 OD2 ASP A 50 0.872 -14.055 3.418 1.00 0.00 O ATOM 0 H ASP A 50 -0.229 -9.252 3.531 1.00 0.00 H new ATOM 0 HA ASP A 50 1.793 -10.760 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.375 -11.948 5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.583 -12.051 3.632 1.00 0.00 H new ATOM 664 N VAL A 51 2.912 -10.221 2.839 1.00 0.00 N ATOM 665 CA VAL A 51 3.701 -10.218 1.617 1.00 0.00 C ATOM 666 C VAL A 51 4.516 -11.500 1.519 1.00 0.00 C ATOM 667 O VAL A 51 5.722 -11.506 1.764 1.00 0.00 O ATOM 668 CB VAL A 51 4.654 -9.003 1.534 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.372 -8.194 0.277 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.541 -8.126 2.771 1.00 0.00 C ATOM 0 H VAL A 51 3.357 -9.757 3.630 1.00 0.00 H new ATOM 0 HA VAL A 51 2.999 -10.151 0.786 1.00 0.00 H new ATOM 0 HB VAL A 51 5.676 -9.380 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.051 -7.342 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.521 -8.822 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.342 -7.837 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.224 -7.281 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.519 -7.759 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.799 -8.709 3.655 1.00 0.00 H new ATOM 680 N THR A 52 3.847 -12.585 1.153 1.00 0.00 N ATOM 681 CA THR A 52 4.489 -13.885 1.073 1.00 0.00 C ATOM 682 C THR A 52 5.314 -14.012 -0.203 1.00 0.00 C ATOM 683 O THR A 52 6.194 -14.869 -0.304 1.00 0.00 O ATOM 684 CB THR A 52 3.441 -15.008 1.113 1.00 0.00 C ATOM 685 OG1 THR A 52 2.120 -14.441 1.101 1.00 0.00 O ATOM 686 CG2 THR A 52 3.625 -15.871 2.350 1.00 0.00 C ATOM 0 H THR A 52 2.857 -12.588 0.907 1.00 0.00 H new ATOM 0 HA THR A 52 5.152 -13.977 1.933 1.00 0.00 H new ATOM 0 HB THR A 52 3.572 -15.637 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.728 -14.506 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.873 -16.660 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.619 -16.318 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.515 -15.255 3.243 1.00 0.00 H new ATOM 694 N ASN A 53 5.032 -13.150 -1.168 1.00 0.00 N ATOM 695 CA ASN A 53 5.770 -13.141 -2.423 1.00 0.00 C ATOM 696 C ASN A 53 6.956 -12.187 -2.327 1.00 0.00 C ATOM 697 O ASN A 53 6.833 -11.086 -1.789 1.00 0.00 O ATOM 698 CB ASN A 53 4.859 -12.728 -3.584 1.00 0.00 C ATOM 699 CG ASN A 53 5.393 -13.178 -4.935 1.00 0.00 C ATOM 700 OD1 ASN A 53 6.437 -13.825 -5.025 1.00 0.00 O ATOM 701 ND2 ASN A 53 4.684 -12.834 -5.997 1.00 0.00 N ATOM 0 H ASN A 53 4.296 -12.446 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 53 6.137 -14.150 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.866 -13.151 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.746 -11.644 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.997 -13.105 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.824 -12.298 -5.884 1.00 0.00 H new ATOM 708 N THR A 54 8.089 -12.609 -2.868 1.00 0.00 N ATOM 709 CA THR A 54 9.311 -11.816 -2.828 1.00 0.00 C ATOM 710 C THR A 54 9.286 -10.721 -3.895 1.00 0.00 C ATOM 711 O THR A 54 10.176 -10.630 -4.741 1.00 0.00 O ATOM 712 CB THR A 54 10.541 -12.720 -3.040 1.00 0.00 C ATOM 713 OG1 THR A 54 10.112 -14.037 -3.423 1.00 0.00 O ATOM 714 CG2 THR A 54 11.375 -12.805 -1.772 1.00 0.00 C ATOM 0 H THR A 54 8.189 -13.505 -3.345 1.00 0.00 H new ATOM 0 HA THR A 54 9.376 -11.345 -1.847 1.00 0.00 H new ATOM 0 HB THR A 54 11.155 -12.288 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.896 -14.610 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.237 -13.448 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.716 -11.808 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.770 -13.220 -0.966 1.00 0.00 H new ATOM 722 N GLY A 55 8.257 -9.890 -3.840 1.00 0.00 N ATOM 723 CA GLY A 55 8.081 -8.850 -4.828 1.00 0.00 C ATOM 724 C GLY A 55 6.779 -9.019 -5.582 1.00 0.00 C ATOM 725 O GLY A 55 6.734 -9.680 -6.622 1.00 0.00 O ATOM 0 H GLY A 55 7.535 -9.919 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.097 -7.876 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.915 -8.868 -5.530 1.00 0.00 H new ATOM 729 N ASN A 56 5.711 -8.445 -5.045 1.00 0.00 N ATOM 730 CA ASN A 56 4.397 -8.536 -5.668 1.00 0.00 C ATOM 731 C ASN A 56 3.962 -7.176 -6.177 1.00 0.00 C ATOM 732 O ASN A 56 4.401 -6.148 -5.664 1.00 0.00 O ATOM 733 CB ASN A 56 3.364 -9.077 -4.674 1.00 0.00 C ATOM 734 CG ASN A 56 2.285 -9.894 -5.357 1.00 0.00 C ATOM 735 OD1 ASN A 56 2.565 -10.936 -5.951 1.00 0.00 O ATOM 736 ND2 ASN A 56 1.047 -9.428 -5.277 1.00 0.00 N ATOM 0 H ASN A 56 5.729 -7.910 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 56 4.464 -9.225 -6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.867 -9.693 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.904 -8.245 -4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.281 -9.937 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.860 -8.560 -4.775 1.00 0.00 H new ATOM 743 N SER A 57 3.115 -7.171 -7.190 1.00 0.00 N ATOM 744 CA SER A 57 2.629 -5.938 -7.764 1.00 0.00 C ATOM 745 C SER A 57 1.378 -5.477 -7.031 1.00 0.00 C ATOM 746 O SER A 57 1.422 -4.546 -6.229 1.00 0.00 O ATOM 747 CB SER A 57 2.333 -6.150 -9.245 1.00 0.00 C ATOM 748 OG SER A 57 2.514 -7.514 -9.600 1.00 0.00 O ATOM 0 H SER A 57 2.750 -8.015 -7.632 1.00 0.00 H new ATOM 0 HA SER A 57 3.391 -5.165 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.310 -5.844 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.990 -5.522 -9.846 1.00 0.00 H new ATOM 0 HG SER A 57 2.318 -7.633 -10.553 1.00 0.00 H new ATOM 754 N PHE A 58 0.270 -6.158 -7.280 1.00 0.00 N ATOM 755 CA PHE A 58 -0.995 -5.773 -6.692 1.00 0.00 C ATOM 756 C PHE A 58 -1.387 -6.709 -5.565 1.00 0.00 C ATOM 757 O PHE A 58 -1.559 -7.910 -5.767 1.00 0.00 O ATOM 758 CB PHE A 58 -2.095 -5.745 -7.749 1.00 0.00 C ATOM 759 CG PHE A 58 -2.951 -4.522 -7.655 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.385 -3.266 -7.779 1.00 0.00 C ATOM 761 CD2 PHE A 58 -4.312 -4.625 -7.431 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.164 -2.130 -7.683 1.00 0.00 C ATOM 763 CE2 PHE A 58 -5.098 -3.495 -7.331 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.523 -2.244 -7.458 1.00 0.00 C ATOM 0 H PHE A 58 0.225 -6.978 -7.885 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.873 -4.771 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.643 -5.793 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.720 -6.631 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.323 -3.173 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.765 -5.601 -7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.712 -1.154 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.159 -3.588 -7.154 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.135 -1.357 -7.382 1.00 0.00 H new ATOM 774 N LEU A 59 -1.514 -6.153 -4.375 1.00 0.00 N ATOM 775 CA LEU A 59 -1.996 -6.903 -3.231 1.00 0.00 C ATOM 776 C LEU A 59 -3.196 -6.191 -2.626 1.00 0.00 C ATOM 777 O LEU A 59 -3.103 -5.033 -2.220 1.00 0.00 O ATOM 778 CB LEU A 59 -0.890 -7.079 -2.186 1.00 0.00 C ATOM 779 CG LEU A 59 -0.064 -5.827 -1.880 1.00 0.00 C ATOM 780 CD1 LEU A 59 -0.086 -5.527 -0.389 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.367 -6.000 -2.368 1.00 0.00 C ATOM 0 H LEU A 59 -1.288 -5.179 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.299 -7.896 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.343 -7.429 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.215 -7.864 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.508 -4.983 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.506 -4.634 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.114 -5.361 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.334 -6.371 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.940 -5.100 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.821 -6.855 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.366 -6.169 -3.445 1.00 0.00 H new ATOM 793 N ILE A 60 -4.331 -6.863 -2.608 1.00 0.00 N ATOM 794 CA ILE A 60 -5.532 -6.279 -2.045 1.00 0.00 C ATOM 795 C ILE A 60 -5.565 -6.521 -0.537 1.00 0.00 C ATOM 796 O ILE A 60 -5.293 -7.628 -0.063 1.00 0.00 O ATOM 797 CB ILE A 60 -6.814 -6.815 -2.740 1.00 0.00 C ATOM 798 CG1 ILE A 60 -7.929 -5.769 -2.676 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.288 -8.132 -2.138 1.00 0.00 C ATOM 800 CD1 ILE A 60 -8.594 -5.515 -4.010 1.00 0.00 C ATOM 0 H ILE A 60 -4.446 -7.808 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.511 -5.204 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.561 -7.009 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.683 -6.096 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.517 -4.833 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.186 -8.467 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.506 -8.884 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.511 -7.989 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.374 -4.763 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.852 -5.158 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.036 -6.441 -4.378 1.00 0.00 H new ATOM 812 N ILE A 61 -5.854 -5.475 0.214 1.00 0.00 N ATOM 813 CA ILE A 61 -5.821 -5.561 1.661 1.00 0.00 C ATOM 814 C ILE A 61 -7.226 -5.618 2.231 1.00 0.00 C ATOM 815 O ILE A 61 -8.114 -4.880 1.802 1.00 0.00 O ATOM 816 CB ILE A 61 -5.062 -4.372 2.285 1.00 0.00 C ATOM 817 CG1 ILE A 61 -3.731 -4.151 1.561 1.00 0.00 C ATOM 818 CG2 ILE A 61 -4.824 -4.604 3.773 1.00 0.00 C ATOM 819 CD1 ILE A 61 -3.015 -2.897 1.997 1.00 0.00 C ATOM 0 H ILE A 61 -6.113 -4.559 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.292 -6.480 1.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.675 -3.478 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.083 -5.010 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.913 -4.102 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.287 -3.753 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.782 -4.716 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.233 -5.509 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.080 -2.801 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.645 -2.030 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.802 -2.952 3.065 1.00 0.00 H new ATOM 831 N ASN A 62 -7.418 -6.496 3.203 1.00 0.00 N ATOM 832 CA ASN A 62 -8.702 -6.631 3.877 1.00 0.00 C ATOM 833 C ASN A 62 -8.891 -5.535 4.922 1.00 0.00 C ATOM 834 O ASN A 62 -9.717 -5.668 5.823 1.00 0.00 O ATOM 835 CB ASN A 62 -8.820 -8.011 4.530 1.00 0.00 C ATOM 836 CG ASN A 62 -10.019 -8.785 4.014 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.207 -8.914 2.803 1.00 0.00 O ATOM 838 ND2 ASN A 62 -10.832 -9.310 4.919 1.00 0.00 N ATOM 0 H ASN A 62 -6.696 -7.130 3.545 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.488 -6.527 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.911 -8.581 4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.902 -7.895 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.649 -9.844 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.641 -9.180 5.913 1.00 0.00 H new ATOM 845 N ALA A 63 -8.086 -4.471 4.801 1.00 0.00 N ATOM 846 CA ALA A 63 -8.198 -3.261 5.627 1.00 0.00 C ATOM 847 C ALA A 63 -7.722 -3.472 7.068 1.00 0.00 C ATOM 848 O ALA A 63 -7.075 -2.601 7.644 1.00 0.00 O ATOM 849 CB ALA A 63 -9.621 -2.722 5.609 1.00 0.00 C ATOM 0 H ALA A 63 -7.329 -4.426 4.118 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.531 -2.523 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.679 -1.826 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.904 -2.475 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.301 -3.478 6.001 1.00 0.00 H new ATOM 855 N ALA A 64 -8.014 -4.633 7.636 1.00 0.00 N ATOM 856 CA ALA A 64 -7.699 -4.907 9.038 1.00 0.00 C ATOM 857 C ALA A 64 -6.227 -5.262 9.235 1.00 0.00 C ATOM 858 O ALA A 64 -5.818 -5.658 10.327 1.00 0.00 O ATOM 859 CB ALA A 64 -8.580 -6.029 9.560 1.00 0.00 C ATOM 0 H ALA A 64 -8.470 -5.405 7.149 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.895 -3.996 9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.338 -6.226 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.627 -5.737 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.408 -6.930 8.972 1.00 0.00 H new ATOM 865 N ASN A 65 -5.435 -5.109 8.183 1.00 0.00 N ATOM 866 CA ASN A 65 -4.006 -5.398 8.252 1.00 0.00 C ATOM 867 C ASN A 65 -3.204 -4.108 8.296 1.00 0.00 C ATOM 868 O ASN A 65 -1.969 -4.115 8.288 1.00 0.00 O ATOM 869 CB ASN A 65 -3.581 -6.237 7.052 1.00 0.00 C ATOM 870 CG ASN A 65 -3.292 -7.672 7.431 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.969 -7.972 8.579 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.382 -8.566 6.464 1.00 0.00 N ATOM 0 H ASN A 65 -5.756 -4.786 7.270 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.810 -5.961 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.368 -6.214 6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.692 -5.797 6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.180 -9.547 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.653 -8.276 5.525 1.00 0.00 H new ATOM 879 N CYS A 66 -3.927 -3.006 8.317 1.00 0.00 N ATOM 880 CA CYS A 66 -3.330 -1.679 8.392 1.00 0.00 C ATOM 881 C CYS A 66 -3.582 -1.050 9.758 1.00 0.00 C ATOM 882 O CYS A 66 -4.489 -1.461 10.482 1.00 0.00 O ATOM 883 CB CYS A 66 -3.913 -0.782 7.298 1.00 0.00 C ATOM 884 SG CYS A 66 -3.993 -1.568 5.659 1.00 0.00 S ATOM 0 H CYS A 66 -4.946 -3.001 8.283 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.254 -1.778 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.917 -0.475 7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.311 0.124 7.226 1.00 0.00 H new ATOM 889 N VAL A 67 -2.766 -0.065 10.115 1.00 0.00 N ATOM 890 CA VAL A 67 -2.971 0.682 11.353 1.00 0.00 C ATOM 891 C VAL A 67 -3.695 1.992 11.069 1.00 0.00 C ATOM 892 O VAL A 67 -4.126 2.691 11.986 1.00 0.00 O ATOM 893 CB VAL A 67 -1.646 0.989 12.083 1.00 0.00 C ATOM 894 CG1 VAL A 67 -1.262 -0.160 12.999 1.00 0.00 C ATOM 895 CG2 VAL A 67 -0.530 1.288 11.095 1.00 0.00 C ATOM 0 H VAL A 67 -1.959 0.235 9.568 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.576 0.049 12.002 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.797 1.880 12.693 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.325 0.075 13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.046 -0.312 13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.138 -1.069 12.410 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.390 1.500 11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.377 0.425 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.802 2.153 10.490 1.00 0.00 H new ATOM 905 N ALA A 68 -3.822 2.306 9.790 1.00 0.00 N ATOM 906 CA ALA A 68 -4.489 3.513 9.339 1.00 0.00 C ATOM 907 C ALA A 68 -4.905 3.329 7.891 1.00 0.00 C ATOM 908 O ALA A 68 -4.462 2.334 7.284 1.00 0.00 O ATOM 909 CB ALA A 68 -3.574 4.723 9.488 1.00 0.00 C ATOM 910 OXT ALA A 68 -5.672 4.161 7.363 1.00 0.00 O ATOM 0 H ALA A 68 -3.462 1.726 9.032 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.372 3.692 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.094 5.617 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.298 4.844 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.674 4.574 8.891 1.00 0.00 H new