USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 378 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 35 TYR OH : rot -138:sc= 0.544 USER MOD Set 1.2: A 46 TYR OH : rot 27:sc= -0.678! USER MOD Single : A 1 LYS N :NH3+ -172:sc= 1.19 (180deg=0.928) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.483 (180deg=0.483) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.157 USER MOD Single : A 11 ASN : amide:sc= -0.504 K(o=-0.5,f=-4.1!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0238) USER MOD Single : A 14 TYR OH : rot 175:sc= -2.24! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.368 USER MOD Single : A 23 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= -0.0456 (180deg=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -167:sc= -0.958 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.33 K(o=-2.3,f=-11!) USER MOD Single : A 52 SER OG : rot -140:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.14 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.464 13.655 2.612 1.00 0.00 N ATOM 2 CA LYS A 1 5.407 12.202 2.284 1.00 0.00 C ATOM 3 C LYS A 1 5.126 11.408 3.559 1.00 0.00 C ATOM 4 O LYS A 1 5.147 11.942 4.650 1.00 0.00 O ATOM 5 CB LYS A 1 6.745 11.765 1.686 1.00 0.00 C ATOM 6 CG LYS A 1 7.020 12.591 0.430 1.00 0.00 C ATOM 7 CD LYS A 1 8.145 11.948 -0.380 1.00 0.00 C ATOM 8 CE LYS A 1 8.815 13.020 -1.240 1.00 0.00 C ATOM 9 NZ LYS A 1 9.290 12.415 -2.515 1.00 0.00 N ATOM 0 H1 LYS A 1 5.519 14.207 1.733 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.609 13.926 3.138 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.304 13.847 3.195 1.00 0.00 H new ATOM 0 HA LYS A 1 4.612 12.017 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.546 11.905 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.719 10.703 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.117 12.659 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.295 13.609 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.875 11.490 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.748 11.153 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.111 13.825 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.653 13.461 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.745 13.146 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.976 11.661 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.481 12.014 -3.032 1.00 0.00 H new ATOM 25 N LYS A 2 4.857 10.138 3.435 1.00 0.00 N ATOM 26 CA LYS A 2 4.571 9.326 4.648 1.00 0.00 C ATOM 27 C LYS A 2 4.516 7.843 4.283 1.00 0.00 C ATOM 28 O LYS A 2 4.342 7.475 3.136 1.00 0.00 O ATOM 29 CB LYS A 2 3.221 9.749 5.235 1.00 0.00 C ATOM 30 CG LYS A 2 2.133 9.624 4.165 1.00 0.00 C ATOM 31 CD LYS A 2 1.452 8.259 4.284 1.00 0.00 C ATOM 32 CE LYS A 2 0.567 8.021 3.059 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.733 8.730 3.239 1.00 0.00 N ATOM 0 H LYS A 2 4.823 9.631 2.551 1.00 0.00 H new ATOM 0 HA LYS A 2 5.362 9.488 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.974 9.124 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.275 10.777 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.398 10.420 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.569 9.739 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.202 7.472 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.852 8.218 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.068 8.380 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.395 6.953 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.335 8.568 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.212 8.367 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.560 9.750 3.348 1.00 0.00 H new ATOM 47 N ASP A 3 4.648 6.993 5.262 1.00 0.00 N ATOM 48 CA ASP A 3 4.587 5.530 5.013 1.00 0.00 C ATOM 49 C ASP A 3 3.150 5.076 5.262 1.00 0.00 C ATOM 50 O ASP A 3 2.482 5.589 6.139 1.00 0.00 O ATOM 51 CB ASP A 3 5.519 4.825 5.996 1.00 0.00 C ATOM 52 CG ASP A 3 6.739 5.707 6.264 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.070 6.503 5.402 1.00 0.00 O ATOM 54 OD2 ASP A 3 7.322 5.570 7.327 1.00 0.00 O ATOM 0 H ASP A 3 4.797 7.255 6.236 1.00 0.00 H new ATOM 0 HA ASP A 3 4.890 5.293 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.993 4.620 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.834 3.864 5.590 1.00 0.00 H new ATOM 59 N GLY A 4 2.650 4.133 4.514 1.00 0.00 N ATOM 60 CA GLY A 4 1.244 3.702 4.761 1.00 0.00 C ATOM 61 C GLY A 4 0.817 2.620 3.771 1.00 0.00 C ATOM 62 O GLY A 4 1.625 2.027 3.085 1.00 0.00 O ATOM 0 H GLY A 4 3.139 3.651 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.150 3.325 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.577 4.560 4.676 1.00 0.00 H new ATOM 66 N TYR A 5 -0.462 2.356 3.711 1.00 0.00 N ATOM 67 CA TYR A 5 -0.983 1.305 2.789 1.00 0.00 C ATOM 68 C TYR A 5 -1.735 1.956 1.618 1.00 0.00 C ATOM 69 O TYR A 5 -2.888 2.313 1.752 1.00 0.00 O ATOM 70 CB TYR A 5 -1.958 0.408 3.557 1.00 0.00 C ATOM 71 CG TYR A 5 -1.199 -0.522 4.472 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.485 -1.592 3.933 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.221 -0.322 5.858 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.213 -2.466 4.775 1.00 0.00 C ATOM 75 CE2 TYR A 5 -0.525 -1.196 6.702 1.00 0.00 C ATOM 76 CZ TYR A 5 0.192 -2.269 6.160 1.00 0.00 C ATOM 77 OH TYR A 5 0.877 -3.131 6.991 1.00 0.00 O ATOM 0 H TYR A 5 -1.174 2.829 4.267 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.147 0.721 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.646 1.021 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.560 -0.170 2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.471 -1.747 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.775 0.506 6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.768 -3.292 4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.541 -1.042 7.771 1.00 0.00 H new ATOM 0 HH TYR A 5 0.759 -2.851 7.923 1.00 0.00 H new ATOM 87 N PRO A 6 -1.065 2.089 0.502 1.00 0.00 N ATOM 88 CA PRO A 6 -1.665 2.695 -0.703 1.00 0.00 C ATOM 89 C PRO A 6 -2.849 1.849 -1.191 1.00 0.00 C ATOM 90 O PRO A 6 -2.692 0.697 -1.547 1.00 0.00 O ATOM 91 CB PRO A 6 -0.540 2.687 -1.747 1.00 0.00 C ATOM 92 CG PRO A 6 0.694 2.003 -1.104 1.00 0.00 C ATOM 93 CD PRO A 6 0.332 1.650 0.347 1.00 0.00 C ATOM 0 HA PRO A 6 -2.047 3.698 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.852 2.149 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.297 3.704 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.966 1.105 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.557 2.668 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.434 0.581 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.988 2.159 1.054 1.00 0.00 H new ATOM 101 N VAL A 7 -4.030 2.409 -1.215 1.00 0.00 N ATOM 102 CA VAL A 7 -5.213 1.626 -1.688 1.00 0.00 C ATOM 103 C VAL A 7 -5.566 2.046 -3.115 1.00 0.00 C ATOM 104 O VAL A 7 -5.338 3.170 -3.516 1.00 0.00 O ATOM 105 CB VAL A 7 -6.411 1.883 -0.771 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.151 1.249 0.596 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.617 3.390 -0.604 1.00 0.00 C ATOM 0 H VAL A 7 -4.227 3.368 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.968 0.564 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.305 1.443 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.004 1.432 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.008 0.175 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.256 1.688 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.471 3.570 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.723 3.833 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.804 3.842 -1.578 1.00 0.00 H new ATOM 117 N ASP A 8 -6.118 1.150 -3.888 1.00 0.00 N ATOM 118 CA ASP A 8 -6.482 1.502 -5.288 1.00 0.00 C ATOM 119 C ASP A 8 -7.600 2.544 -5.272 1.00 0.00 C ATOM 120 O ASP A 8 -7.906 3.124 -4.249 1.00 0.00 O ATOM 121 CB ASP A 8 -6.955 0.246 -6.029 1.00 0.00 C ATOM 122 CG ASP A 8 -7.829 -0.607 -5.104 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.643 -0.039 -4.397 1.00 0.00 O ATOM 124 OD2 ASP A 8 -7.670 -1.816 -5.123 1.00 0.00 O ATOM 0 H ASP A 8 -6.332 0.192 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.611 1.911 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.519 0.528 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.095 -0.333 -6.367 1.00 0.00 H new ATOM 129 N SER A 9 -8.217 2.786 -6.397 1.00 0.00 N ATOM 130 CA SER A 9 -9.320 3.790 -6.443 1.00 0.00 C ATOM 131 C SER A 9 -10.553 3.231 -5.728 1.00 0.00 C ATOM 132 O SER A 9 -11.570 3.886 -5.625 1.00 0.00 O ATOM 133 CB SER A 9 -9.676 4.102 -7.900 1.00 0.00 C ATOM 134 OG SER A 9 -8.878 3.308 -8.768 1.00 0.00 O ATOM 0 H SER A 9 -8.006 2.333 -7.286 1.00 0.00 H new ATOM 0 HA SER A 9 -8.993 4.704 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.733 3.902 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.513 5.160 -8.106 1.00 0.00 H new ATOM 0 HG SER A 9 -9.109 3.508 -9.699 1.00 0.00 H new ATOM 140 N GLY A 10 -10.471 2.022 -5.237 1.00 0.00 N ATOM 141 CA GLY A 10 -11.637 1.420 -4.533 1.00 0.00 C ATOM 142 C GLY A 10 -11.335 1.284 -3.037 1.00 0.00 C ATOM 143 O GLY A 10 -12.138 0.771 -2.284 1.00 0.00 O ATOM 0 H GLY A 10 -9.645 1.426 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.520 2.042 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.862 0.441 -4.957 1.00 0.00 H new ATOM 147 N ASN A 11 -10.186 1.730 -2.596 1.00 0.00 N ATOM 148 CA ASN A 11 -9.848 1.615 -1.147 1.00 0.00 C ATOM 149 C ASN A 11 -9.412 0.181 -0.844 1.00 0.00 C ATOM 150 O ASN A 11 -9.873 -0.439 0.094 1.00 0.00 O ATOM 151 CB ASN A 11 -11.072 1.975 -0.299 1.00 0.00 C ATOM 152 CG ASN A 11 -10.614 2.588 1.027 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.621 3.285 1.076 1.00 0.00 O ATOM 154 ND2 ASN A 11 -11.305 2.359 2.110 1.00 0.00 N ATOM 0 H ASN A 11 -9.470 2.167 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.036 2.301 -0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.706 2.679 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.672 1.085 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.011 2.766 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.139 1.773 2.068 1.00 0.00 H new ATOM 161 N CYS A 12 -8.519 -0.345 -1.635 1.00 0.00 N ATOM 162 CA CYS A 12 -8.034 -1.734 -1.406 1.00 0.00 C ATOM 163 C CYS A 12 -6.507 -1.721 -1.329 1.00 0.00 C ATOM 164 O CYS A 12 -5.828 -1.438 -2.296 1.00 0.00 O ATOM 165 CB CYS A 12 -8.479 -2.633 -2.557 1.00 0.00 C ATOM 166 SG CYS A 12 -9.715 -3.814 -1.958 1.00 0.00 S ATOM 0 H CYS A 12 -8.102 0.131 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.449 -2.117 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.897 -2.030 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.622 -3.165 -2.969 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.096 -4.578 -2.938 1.00 0.00 H new ATOM 171 N LYS A 13 -5.963 -2.017 -0.181 1.00 0.00 N ATOM 172 CA LYS A 13 -4.480 -2.015 -0.029 1.00 0.00 C ATOM 173 C LYS A 13 -3.851 -3.002 -1.015 1.00 0.00 C ATOM 174 O LYS A 13 -4.215 -4.160 -1.063 1.00 0.00 O ATOM 175 CB LYS A 13 -4.115 -2.436 1.398 1.00 0.00 C ATOM 176 CG LYS A 13 -4.824 -1.530 2.406 1.00 0.00 C ATOM 177 CD LYS A 13 -4.487 -1.988 3.829 1.00 0.00 C ATOM 178 CE LYS A 13 -4.970 -3.426 4.035 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.637 -3.543 5.363 1.00 0.00 N ATOM 0 H LYS A 13 -6.483 -2.261 0.662 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.104 -1.012 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.402 -3.474 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.036 -2.377 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.513 -0.495 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.902 -1.564 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.412 -1.928 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.960 -1.327 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.664 -3.704 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.128 -4.115 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.889 -4.537 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.989 -3.213 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.499 -2.961 5.371 1.00 0.00 H new ATOM 193 N TYR A 14 -2.896 -2.560 -1.791 1.00 0.00 N ATOM 194 CA TYR A 14 -2.236 -3.489 -2.755 1.00 0.00 C ATOM 195 C TYR A 14 -1.582 -4.627 -1.970 1.00 0.00 C ATOM 196 O TYR A 14 -0.759 -4.400 -1.112 1.00 0.00 O ATOM 197 CB TYR A 14 -1.169 -2.733 -3.549 1.00 0.00 C ATOM 198 CG TYR A 14 -1.802 -1.546 -4.235 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.796 -1.745 -5.202 1.00 0.00 C ATOM 200 CD2 TYR A 14 -1.398 -0.248 -3.906 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.385 -0.646 -5.838 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.986 0.852 -4.542 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.979 0.653 -5.508 1.00 0.00 C ATOM 204 OH TYR A 14 -3.558 1.737 -6.135 1.00 0.00 O ATOM 0 H TYR A 14 -2.546 -1.602 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.975 -3.892 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.372 -2.400 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.713 -3.393 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.108 -2.747 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.632 -0.094 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.152 -0.800 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.673 1.854 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.221 2.565 -5.734 1.00 0.00 H new ATOM 214 N GLU A 15 -1.951 -5.845 -2.249 1.00 0.00 N ATOM 215 CA GLU A 15 -1.366 -7.002 -1.507 1.00 0.00 C ATOM 216 C GLU A 15 0.162 -6.985 -1.590 1.00 0.00 C ATOM 217 O GLU A 15 0.760 -6.077 -2.133 1.00 0.00 O ATOM 218 CB GLU A 15 -1.881 -8.299 -2.122 1.00 0.00 C ATOM 219 CG GLU A 15 -1.336 -8.440 -3.545 1.00 0.00 C ATOM 220 CD GLU A 15 -0.746 -9.839 -3.733 1.00 0.00 C ATOM 221 OE1 GLU A 15 -0.533 -10.512 -2.737 1.00 0.00 O ATOM 222 OE2 GLU A 15 -0.514 -10.213 -4.871 1.00 0.00 O ATOM 0 H GLU A 15 -2.636 -6.093 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.661 -6.931 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.570 -9.150 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.971 -8.299 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.133 -8.270 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.572 -7.685 -3.729 1.00 0.00 H new ATOM 229 N CYS A 16 0.796 -7.996 -1.051 1.00 0.00 N ATOM 230 CA CYS A 16 2.283 -8.060 -1.090 1.00 0.00 C ATOM 231 C CYS A 16 2.743 -9.509 -0.903 1.00 0.00 C ATOM 232 O CYS A 16 2.334 -10.186 0.020 1.00 0.00 O ATOM 233 CB CYS A 16 2.861 -7.188 0.029 1.00 0.00 C ATOM 234 SG CYS A 16 2.649 -7.995 1.636 1.00 0.00 S ATOM 0 H CYS A 16 0.343 -8.782 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 16 2.635 -7.694 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.919 -7.004 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.365 -6.217 0.035 1.00 0.00 H new ATOM 239 N LEU A 17 3.593 -9.988 -1.769 1.00 0.00 N ATOM 240 CA LEU A 17 4.083 -11.390 -1.639 1.00 0.00 C ATOM 241 C LEU A 17 5.502 -11.378 -1.069 1.00 0.00 C ATOM 242 O LEU A 17 5.791 -12.025 -0.082 1.00 0.00 O ATOM 243 CB LEU A 17 4.091 -12.057 -3.015 1.00 0.00 C ATOM 244 CG LEU A 17 2.770 -11.768 -3.730 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.997 -11.773 -5.243 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.743 -12.843 -3.363 1.00 0.00 C ATOM 0 H LEU A 17 3.970 -9.469 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 17 3.426 -11.947 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.926 -11.683 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.231 -13.133 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 17 2.397 -10.791 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.056 -11.567 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.726 -11.006 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.371 -12.749 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.802 -12.636 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.115 -13.821 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.580 -12.838 -2.285 1.00 0.00 H new ATOM 258 N LYS A 18 6.390 -10.643 -1.679 1.00 0.00 N ATOM 259 CA LYS A 18 7.788 -10.584 -1.169 1.00 0.00 C ATOM 260 C LYS A 18 8.178 -9.122 -0.944 1.00 0.00 C ATOM 261 O LYS A 18 7.445 -8.215 -1.285 1.00 0.00 O ATOM 262 CB LYS A 18 8.736 -11.217 -2.191 1.00 0.00 C ATOM 263 CG LYS A 18 8.887 -12.710 -1.891 1.00 0.00 C ATOM 264 CD LYS A 18 8.142 -13.523 -2.952 1.00 0.00 C ATOM 265 CE LYS A 18 9.110 -14.504 -3.617 1.00 0.00 C ATOM 266 NZ LYS A 18 8.357 -15.400 -4.540 1.00 0.00 N ATOM 0 H LYS A 18 6.207 -10.080 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 18 7.858 -11.131 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.348 -11.075 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.709 -10.727 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.942 -12.985 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.490 -12.935 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.315 -14.066 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.712 -12.857 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.876 -13.958 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.623 -15.095 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.016 -16.066 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.642 -15.931 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.887 -14.829 -5.271 1.00 0.00 H new ATOM 280 N ASP A 19 9.326 -8.887 -0.371 1.00 0.00 N ATOM 281 CA ASP A 19 9.762 -7.485 -0.121 1.00 0.00 C ATOM 282 C ASP A 19 10.025 -6.781 -1.456 1.00 0.00 C ATOM 283 O ASP A 19 9.875 -5.582 -1.573 1.00 0.00 O ATOM 284 CB ASP A 19 11.044 -7.492 0.714 1.00 0.00 C ATOM 285 CG ASP A 19 11.292 -6.094 1.282 1.00 0.00 C ATOM 286 OD1 ASP A 19 10.566 -5.705 2.183 1.00 0.00 O ATOM 287 OD2 ASP A 19 12.203 -5.436 0.806 1.00 0.00 O ATOM 0 H ASP A 19 9.981 -9.606 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 19 8.978 -6.953 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.958 -8.215 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.889 -7.801 0.099 1.00 0.00 H new ATOM 292 N ASP A 20 10.420 -7.515 -2.461 1.00 0.00 N ATOM 293 CA ASP A 20 10.694 -6.885 -3.782 1.00 0.00 C ATOM 294 C ASP A 20 9.395 -6.329 -4.362 1.00 0.00 C ATOM 295 O ASP A 20 9.300 -5.160 -4.671 1.00 0.00 O ATOM 296 CB ASP A 20 11.284 -7.917 -4.748 1.00 0.00 C ATOM 297 CG ASP A 20 10.847 -9.333 -4.365 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.735 -9.701 -4.704 1.00 0.00 O ATOM 299 OD2 ASP A 20 11.632 -10.025 -3.738 1.00 0.00 O ATOM 0 H ASP A 20 10.565 -8.524 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 20 11.411 -6.076 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.962 -7.695 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.372 -7.852 -4.737 1.00 0.00 H new ATOM 304 N TYR A 21 8.388 -7.144 -4.509 1.00 0.00 N ATOM 305 CA TYR A 21 7.109 -6.624 -5.062 1.00 0.00 C ATOM 306 C TYR A 21 6.764 -5.329 -4.329 1.00 0.00 C ATOM 307 O TYR A 21 6.218 -4.403 -4.894 1.00 0.00 O ATOM 308 CB TYR A 21 5.995 -7.650 -4.842 1.00 0.00 C ATOM 309 CG TYR A 21 4.653 -6.985 -5.046 1.00 0.00 C ATOM 310 CD1 TYR A 21 4.013 -6.357 -3.970 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.054 -6.988 -6.312 1.00 0.00 C ATOM 312 CE1 TYR A 21 2.774 -5.734 -4.159 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.814 -6.366 -6.500 1.00 0.00 C ATOM 314 CZ TYR A 21 2.174 -5.738 -5.423 1.00 0.00 C ATOM 315 OH TYR A 21 0.954 -5.124 -5.610 1.00 0.00 O ATOM 0 H TYR A 21 8.395 -8.136 -4.273 1.00 0.00 H new ATOM 0 HA TYR A 21 7.210 -6.439 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.110 -8.483 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.059 -8.063 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.476 -6.353 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.548 -7.470 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.281 -5.250 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.350 -6.370 -7.475 1.00 0.00 H new ATOM 0 HH TYR A 21 0.680 -5.218 -6.546 1.00 0.00 H new ATOM 325 N CYS A 22 7.085 -5.268 -3.068 1.00 0.00 N ATOM 326 CA CYS A 22 6.789 -4.049 -2.274 1.00 0.00 C ATOM 327 C CYS A 22 7.691 -2.901 -2.710 1.00 0.00 C ATOM 328 O CYS A 22 7.256 -1.785 -2.814 1.00 0.00 O ATOM 329 CB CYS A 22 7.027 -4.341 -0.801 1.00 0.00 C ATOM 330 SG CYS A 22 5.507 -4.068 0.144 1.00 0.00 S ATOM 0 H CYS A 22 7.544 -6.018 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 22 5.749 -3.764 -2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.361 -5.371 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.821 -3.700 -0.419 1.00 0.00 H new ATOM 335 N ASN A 23 8.936 -3.161 -2.970 1.00 0.00 N ATOM 336 CA ASN A 23 9.846 -2.066 -3.401 1.00 0.00 C ATOM 337 C ASN A 23 9.402 -1.573 -4.765 1.00 0.00 C ATOM 338 O ASN A 23 9.010 -0.445 -4.928 1.00 0.00 O ATOM 339 CB ASN A 23 11.267 -2.621 -3.499 1.00 0.00 C ATOM 340 CG ASN A 23 12.251 -1.490 -3.804 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.883 -0.332 -3.809 1.00 0.00 O ATOM 342 ND2 ASN A 23 13.498 -1.779 -4.060 1.00 0.00 N ATOM 0 H ASN A 23 9.366 -4.084 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 23 9.819 -1.244 -2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.541 -3.110 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.317 -3.379 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.163 -1.033 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.807 -2.751 -4.056 1.00 0.00 H new ATOM 349 N ASP A 24 9.454 -2.421 -5.741 1.00 0.00 N ATOM 350 CA ASP A 24 9.020 -2.006 -7.109 1.00 0.00 C ATOM 351 C ASP A 24 7.670 -1.294 -7.015 1.00 0.00 C ATOM 352 O ASP A 24 7.561 -0.098 -7.214 1.00 0.00 O ATOM 353 CB ASP A 24 8.864 -3.243 -7.990 1.00 0.00 C ATOM 354 CG ASP A 24 8.581 -2.814 -9.431 1.00 0.00 C ATOM 355 OD1 ASP A 24 7.908 -1.812 -9.608 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.040 -3.495 -10.333 1.00 0.00 O ATOM 0 H ASP A 24 9.777 -3.385 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 24 9.766 -1.337 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.771 -3.846 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.050 -3.866 -7.619 1.00 0.00 H new ATOM 361 N LEU A 25 6.638 -2.031 -6.720 1.00 0.00 N ATOM 362 CA LEU A 25 5.287 -1.415 -6.612 1.00 0.00 C ATOM 363 C LEU A 25 5.384 -0.097 -5.842 1.00 0.00 C ATOM 364 O LEU A 25 4.761 0.883 -6.193 1.00 0.00 O ATOM 365 CB LEU A 25 4.346 -2.364 -5.861 1.00 0.00 C ATOM 366 CG LEU A 25 2.986 -1.686 -5.660 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.014 -2.150 -6.744 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.423 -2.059 -4.284 1.00 0.00 C ATOM 0 H LEU A 25 6.671 -3.036 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 25 4.899 -1.229 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.223 -3.290 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.777 -2.631 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 25 3.113 -0.605 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.048 -1.666 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.409 -1.884 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.891 -3.231 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.456 -1.576 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.301 -3.140 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.111 -1.726 -3.507 1.00 0.00 H new ATOM 380 N CYS A 26 6.155 -0.070 -4.787 1.00 0.00 N ATOM 381 CA CYS A 26 6.292 1.157 -3.979 1.00 0.00 C ATOM 382 C CYS A 26 6.807 2.302 -4.851 1.00 0.00 C ATOM 383 O CYS A 26 6.310 3.406 -4.798 1.00 0.00 O ATOM 384 CB CYS A 26 7.292 0.864 -2.857 1.00 0.00 C ATOM 385 SG CYS A 26 6.445 0.303 -1.346 1.00 0.00 S ATOM 0 H CYS A 26 6.701 -0.864 -4.453 1.00 0.00 H new ATOM 0 HA CYS A 26 5.328 1.451 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.997 0.101 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.871 1.761 -2.640 1.00 0.00 H new ATOM 390 N LEU A 27 7.797 2.045 -5.651 1.00 0.00 N ATOM 391 CA LEU A 27 8.344 3.109 -6.525 1.00 0.00 C ATOM 392 C LEU A 27 7.202 3.712 -7.337 1.00 0.00 C ATOM 393 O LEU A 27 7.144 4.904 -7.565 1.00 0.00 O ATOM 394 CB LEU A 27 9.383 2.507 -7.474 1.00 0.00 C ATOM 395 CG LEU A 27 10.759 2.506 -6.803 1.00 0.00 C ATOM 396 CD1 LEU A 27 11.159 1.071 -6.450 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.792 3.098 -7.765 1.00 0.00 C ATOM 0 H LEU A 27 8.253 1.137 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 27 8.817 3.881 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.098 1.490 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.420 3.082 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 27 10.718 3.104 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.139 1.073 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.424 0.646 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.200 0.471 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.773 3.099 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.829 2.497 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.510 4.120 -8.017 1.00 0.00 H new ATOM 409 N GLU A 28 6.293 2.890 -7.782 1.00 0.00 N ATOM 410 CA GLU A 28 5.158 3.408 -8.583 1.00 0.00 C ATOM 411 C GLU A 28 4.219 4.215 -7.689 1.00 0.00 C ATOM 412 O GLU A 28 3.551 5.130 -8.130 1.00 0.00 O ATOM 413 CB GLU A 28 4.397 2.240 -9.212 1.00 0.00 C ATOM 414 CG GLU A 28 4.008 2.603 -10.644 1.00 0.00 C ATOM 415 CD GLU A 28 3.314 3.967 -10.656 1.00 0.00 C ATOM 416 OE1 GLU A 28 4.001 4.961 -10.481 1.00 0.00 O ATOM 417 OE2 GLU A 28 2.108 3.994 -10.841 1.00 0.00 O ATOM 0 H GLU A 28 6.290 1.882 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 28 5.541 4.054 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.016 1.343 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.505 2.015 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.895 2.629 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.345 1.842 -11.056 1.00 0.00 H new ATOM 424 N ARG A 29 4.167 3.878 -6.436 1.00 0.00 N ATOM 425 CA ARG A 29 3.281 4.608 -5.493 1.00 0.00 C ATOM 426 C ARG A 29 3.947 5.921 -5.066 1.00 0.00 C ATOM 427 O ARG A 29 3.442 6.636 -4.224 1.00 0.00 O ATOM 428 CB ARG A 29 3.019 3.745 -4.257 1.00 0.00 C ATOM 429 CG ARG A 29 2.476 2.382 -4.691 1.00 0.00 C ATOM 430 CD ARG A 29 1.137 2.566 -5.406 1.00 0.00 C ATOM 431 NE ARG A 29 1.174 1.851 -6.714 1.00 0.00 N ATOM 432 CZ ARG A 29 0.071 1.644 -7.381 1.00 0.00 C ATOM 433 NH1 ARG A 29 -1.069 2.076 -6.914 1.00 0.00 N ATOM 434 NH2 ARG A 29 0.109 1.007 -8.519 1.00 0.00 N ATOM 0 H ARG A 29 4.706 3.119 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 29 2.336 4.827 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.940 3.617 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.304 4.240 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.188 1.890 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.350 1.736 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.326 2.178 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.939 3.626 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 29 2.064 1.523 -7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.099 2.577 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.929 1.913 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.000 0.672 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.752 0.844 -9.041 1.00 0.00 H new ATOM 448 N LYS A 30 5.079 6.236 -5.639 1.00 0.00 N ATOM 449 CA LYS A 30 5.786 7.500 -5.273 1.00 0.00 C ATOM 450 C LYS A 30 6.550 7.305 -3.964 1.00 0.00 C ATOM 451 O LYS A 30 6.943 8.253 -3.318 1.00 0.00 O ATOM 452 CB LYS A 30 4.775 8.636 -5.100 1.00 0.00 C ATOM 453 CG LYS A 30 5.484 9.983 -5.277 1.00 0.00 C ATOM 454 CD LYS A 30 5.931 10.517 -3.911 1.00 0.00 C ATOM 455 CE LYS A 30 5.738 12.034 -3.866 1.00 0.00 C ATOM 456 NZ LYS A 30 6.323 12.646 -5.092 1.00 0.00 N ATOM 0 H LYS A 30 5.546 5.670 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 30 6.484 7.755 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.972 8.537 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.316 8.581 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.347 9.867 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.814 10.697 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.354 10.043 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.978 10.268 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.677 12.274 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.216 12.446 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.674 13.600 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.111 12.058 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.594 12.708 -5.831 1.00 0.00 H new ATOM 470 N ALA A 31 6.769 6.088 -3.565 1.00 0.00 N ATOM 471 CA ALA A 31 7.513 5.857 -2.299 1.00 0.00 C ATOM 472 C ALA A 31 8.928 5.394 -2.619 1.00 0.00 C ATOM 473 O ALA A 31 9.166 4.692 -3.582 1.00 0.00 O ATOM 474 CB ALA A 31 6.813 4.789 -1.464 1.00 0.00 C ATOM 0 H ALA A 31 6.468 5.247 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 31 7.546 6.789 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.367 4.629 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.801 5.117 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.770 3.857 -2.027 1.00 0.00 H new ATOM 480 N ASP A 32 9.867 5.783 -1.813 1.00 0.00 N ATOM 481 CA ASP A 32 11.263 5.382 -2.043 1.00 0.00 C ATOM 482 C ASP A 32 11.390 3.871 -1.857 1.00 0.00 C ATOM 483 O ASP A 32 12.052 3.196 -2.620 1.00 0.00 O ATOM 484 CB ASP A 32 12.136 6.106 -1.031 1.00 0.00 C ATOM 485 CG ASP A 32 13.497 6.425 -1.653 1.00 0.00 C ATOM 486 OD1 ASP A 32 14.053 5.551 -2.297 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.959 7.541 -1.478 1.00 0.00 O ATOM 0 H ASP A 32 9.718 6.371 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 32 11.576 5.639 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.649 7.026 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.268 5.488 -0.143 1.00 0.00 H new ATOM 492 N LYS A 33 10.757 3.331 -0.849 1.00 0.00 N ATOM 493 CA LYS A 33 10.850 1.850 -0.630 1.00 0.00 C ATOM 494 C LYS A 33 9.709 1.362 0.270 1.00 0.00 C ATOM 495 O LYS A 33 8.981 2.144 0.847 1.00 0.00 O ATOM 496 CB LYS A 33 12.197 1.507 0.020 1.00 0.00 C ATOM 497 CG LYS A 33 12.235 2.036 1.458 1.00 0.00 C ATOM 498 CD LYS A 33 12.788 3.459 1.459 1.00 0.00 C ATOM 499 CE LYS A 33 14.244 3.446 1.927 1.00 0.00 C ATOM 500 NZ LYS A 33 14.929 4.680 1.451 1.00 0.00 N ATOM 0 H LYS A 33 10.186 3.840 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 33 10.770 1.352 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.347 0.427 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.011 1.944 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.234 2.023 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.858 1.391 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.721 3.886 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.190 4.091 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.287 3.390 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.753 2.563 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.919 4.672 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.899 4.715 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.448 5.516 1.839 1.00 0.00 H new ATOM 514 N GLY A 34 9.549 0.066 0.393 1.00 0.00 N ATOM 515 CA GLY A 34 8.456 -0.475 1.255 1.00 0.00 C ATOM 516 C GLY A 34 8.628 -1.984 1.440 1.00 0.00 C ATOM 517 O GLY A 34 9.266 -2.644 0.645 1.00 0.00 O ATOM 0 H GLY A 34 10.128 -0.637 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.468 0.022 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.487 -0.265 0.802 1.00 0.00 H new ATOM 521 N TYR A 35 8.055 -2.544 2.478 1.00 0.00 N ATOM 522 CA TYR A 35 8.192 -4.016 2.680 1.00 0.00 C ATOM 523 C TYR A 35 6.823 -4.674 2.715 1.00 0.00 C ATOM 524 O TYR A 35 5.806 -4.034 2.866 1.00 0.00 O ATOM 525 CB TYR A 35 8.913 -4.332 3.983 1.00 0.00 C ATOM 526 CG TYR A 35 8.329 -3.523 5.116 1.00 0.00 C ATOM 527 CD1 TYR A 35 7.021 -3.772 5.551 1.00 0.00 C ATOM 528 CD2 TYR A 35 9.099 -2.541 5.748 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.486 -3.043 6.616 1.00 0.00 C ATOM 530 CE2 TYR A 35 8.562 -1.809 6.811 1.00 0.00 C ATOM 531 CZ TYR A 35 7.254 -2.061 7.247 1.00 0.00 C ATOM 532 OH TYR A 35 6.724 -1.345 8.302 1.00 0.00 O ATOM 0 H TYR A 35 7.507 -2.052 3.183 1.00 0.00 H new ATOM 0 HA TYR A 35 8.775 -4.404 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.827 -5.396 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.976 -4.112 3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.425 -4.529 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.108 -2.348 5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.478 -3.239 6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.156 -1.049 7.297 1.00 0.00 H new ATOM 0 HH TYR A 35 6.967 -0.400 8.211 1.00 0.00 H new ATOM 542 N CYS A 36 6.806 -5.957 2.558 1.00 0.00 N ATOM 543 CA CYS A 36 5.521 -6.705 2.549 1.00 0.00 C ATOM 544 C CYS A 36 5.143 -7.156 3.961 1.00 0.00 C ATOM 545 O CYS A 36 5.792 -7.995 4.554 1.00 0.00 O ATOM 546 CB CYS A 36 5.697 -7.919 1.644 1.00 0.00 C ATOM 547 SG CYS A 36 4.330 -9.092 1.869 1.00 0.00 S ATOM 0 H CYS A 36 7.638 -6.533 2.433 1.00 0.00 H new ATOM 0 HA CYS A 36 4.721 -6.062 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.740 -7.599 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.644 -8.410 1.866 1.00 0.00 H new ATOM 552 N TYR A 37 4.078 -6.620 4.491 1.00 0.00 N ATOM 553 CA TYR A 37 3.628 -7.028 5.850 1.00 0.00 C ATOM 554 C TYR A 37 2.442 -7.981 5.689 1.00 0.00 C ATOM 555 O TYR A 37 1.314 -7.561 5.497 1.00 0.00 O ATOM 556 CB TYR A 37 3.203 -5.791 6.648 1.00 0.00 C ATOM 557 CG TYR A 37 2.822 -6.199 8.053 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.811 -6.329 9.036 1.00 0.00 C ATOM 559 CD2 TYR A 37 1.482 -6.449 8.373 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.462 -6.707 10.338 1.00 0.00 C ATOM 561 CE2 TYR A 37 1.132 -6.827 9.677 1.00 0.00 C ATOM 562 CZ TYR A 37 2.122 -6.957 10.659 1.00 0.00 C ATOM 563 OH TYR A 37 1.779 -7.330 11.943 1.00 0.00 O ATOM 0 H TYR A 37 3.498 -5.914 4.038 1.00 0.00 H new ATOM 0 HA TYR A 37 4.438 -7.523 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.018 -5.067 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.360 -5.303 6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.845 -6.137 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.718 -6.351 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.226 -6.806 11.095 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.098 -7.018 9.924 1.00 0.00 H new ATOM 0 HH TYR A 37 0.810 -7.464 11.997 1.00 0.00 H new ATOM 573 N TRP A 38 2.698 -9.262 5.736 1.00 0.00 N ATOM 574 CA TRP A 38 1.602 -10.253 5.559 1.00 0.00 C ATOM 575 C TRP A 38 0.635 -10.190 6.746 1.00 0.00 C ATOM 576 O TRP A 38 -0.181 -9.295 6.830 1.00 0.00 O ATOM 577 CB TRP A 38 2.196 -11.660 5.432 1.00 0.00 C ATOM 578 CG TRP A 38 2.366 -11.996 3.985 1.00 0.00 C ATOM 579 CD1 TRP A 38 3.541 -11.996 3.318 1.00 0.00 C ATOM 580 CD2 TRP A 38 1.345 -12.381 3.019 1.00 0.00 C ATOM 581 NE1 TRP A 38 3.308 -12.357 2.002 1.00 0.00 N ATOM 582 CE2 TRP A 38 1.968 -12.604 1.769 1.00 0.00 C ATOM 583 CE3 TRP A 38 -0.048 -12.555 3.108 1.00 0.00 C ATOM 584 CZ2 TRP A 38 1.235 -12.987 0.645 1.00 0.00 C ATOM 585 CZ3 TRP A 38 -0.789 -12.941 1.979 1.00 0.00 C ATOM 586 CH2 TRP A 38 -0.149 -13.155 0.750 1.00 0.00 C ATOM 0 H TRP A 38 3.623 -9.663 5.890 1.00 0.00 H new ATOM 0 HA TRP A 38 1.049 -10.016 4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.157 -11.709 5.944 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.542 -12.388 5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.504 -11.754 3.742 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.036 -12.432 1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.551 -12.391 4.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.733 -13.152 -0.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.858 -13.074 2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.725 -13.449 -0.115 1.00 0.00 H new ATOM 642 N SER A 42 -1.057 -6.390 3.836 1.00 0.00 N ATOM 643 CA SER A 42 -0.718 -6.015 2.432 1.00 0.00 C ATOM 644 C SER A 42 0.693 -5.423 2.364 1.00 0.00 C ATOM 645 O SER A 42 1.477 -5.534 3.284 1.00 0.00 O ATOM 646 CB SER A 42 -1.726 -4.979 1.935 1.00 0.00 C ATOM 647 OG SER A 42 -2.615 -5.590 1.009 1.00 0.00 O ATOM 0 HA SER A 42 -0.756 -6.906 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.285 -4.568 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.205 -4.147 1.461 1.00 0.00 H new ATOM 0 HG SER A 42 -3.123 -4.897 0.537 1.00 0.00 H new ATOM 653 N CYS A 43 1.001 -4.782 1.270 1.00 0.00 N ATOM 654 CA CYS A 43 2.342 -4.151 1.091 1.00 0.00 C ATOM 655 C CYS A 43 2.402 -2.845 1.889 1.00 0.00 C ATOM 656 O CYS A 43 1.396 -2.235 2.179 1.00 0.00 O ATOM 657 CB CYS A 43 2.545 -3.826 -0.396 1.00 0.00 C ATOM 658 SG CYS A 43 3.999 -4.694 -1.040 1.00 0.00 S ATOM 0 H CYS A 43 0.369 -4.666 0.478 1.00 0.00 H new ATOM 0 HA CYS A 43 3.116 -4.834 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.660 -4.116 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.668 -2.751 -0.526 1.00 0.00 H new ATOM 663 N TYR A 44 3.580 -2.406 2.225 1.00 0.00 N ATOM 664 CA TYR A 44 3.727 -1.135 2.984 1.00 0.00 C ATOM 665 C TYR A 44 4.783 -0.274 2.294 1.00 0.00 C ATOM 666 O TYR A 44 5.887 -0.720 2.046 1.00 0.00 O ATOM 667 CB TYR A 44 4.177 -1.440 4.412 1.00 0.00 C ATOM 668 CG TYR A 44 3.807 -0.286 5.304 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.472 -0.083 5.649 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.795 0.580 5.785 1.00 0.00 C ATOM 671 CE1 TYR A 44 2.118 0.982 6.476 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.447 1.647 6.612 1.00 0.00 C ATOM 673 CZ TYR A 44 3.105 1.851 6.962 1.00 0.00 C ATOM 674 OH TYR A 44 2.757 2.904 7.784 1.00 0.00 O ATOM 0 H TYR A 44 4.457 -2.878 2.004 1.00 0.00 H new ATOM 0 HA TYR A 44 2.773 -0.608 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.705 -2.356 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.254 -1.606 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.711 -0.752 5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.829 0.422 5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.083 1.138 6.742 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.210 2.315 6.982 1.00 0.00 H new ATOM 0 HH TYR A 44 3.562 3.406 8.031 1.00 0.00 H new ATOM 684 N CYS A 45 4.460 0.949 1.969 1.00 0.00 N ATOM 685 CA CYS A 45 5.463 1.807 1.281 1.00 0.00 C ATOM 686 C CYS A 45 5.960 2.912 2.203 1.00 0.00 C ATOM 687 O CYS A 45 5.452 3.140 3.286 1.00 0.00 O ATOM 688 CB CYS A 45 4.852 2.463 0.043 1.00 0.00 C ATOM 689 SG CYS A 45 4.656 1.242 -1.276 1.00 0.00 S ATOM 0 H CYS A 45 3.556 1.386 2.148 1.00 0.00 H new ATOM 0 HA CYS A 45 6.294 1.163 0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.884 2.898 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.490 3.279 -0.298 1.00 0.00 H new ATOM 694 N TYR A 46 6.948 3.607 1.732 1.00 0.00 N ATOM 695 CA TYR A 46 7.549 4.737 2.483 1.00 0.00 C ATOM 696 C TYR A 46 7.915 5.804 1.462 1.00 0.00 C ATOM 697 O TYR A 46 8.793 5.603 0.643 1.00 0.00 O ATOM 698 CB TYR A 46 8.822 4.271 3.182 1.00 0.00 C ATOM 699 CG TYR A 46 8.489 3.268 4.256 1.00 0.00 C ATOM 700 CD1 TYR A 46 8.172 1.955 3.910 1.00 0.00 C ATOM 701 CD2 TYR A 46 8.514 3.650 5.597 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.881 1.024 4.909 1.00 0.00 C ATOM 703 CE2 TYR A 46 8.220 2.726 6.597 1.00 0.00 C ATOM 704 CZ TYR A 46 7.903 1.412 6.255 1.00 0.00 C ATOM 705 OH TYR A 46 7.612 0.501 7.245 1.00 0.00 O ATOM 0 H TYR A 46 7.380 3.433 0.825 1.00 0.00 H new ATOM 0 HA TYR A 46 6.852 5.117 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.502 3.825 2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.339 5.125 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.152 1.659 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.763 4.667 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.639 0.005 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.238 3.026 7.634 1.00 0.00 H new ATOM 0 HH TYR A 46 7.834 -0.402 6.935 1.00 0.00 H new ATOM 715 N GLY A 47 7.243 6.917 1.484 1.00 0.00 N ATOM 716 CA GLY A 47 7.539 7.985 0.490 1.00 0.00 C ATOM 717 C GLY A 47 6.252 8.341 -0.257 1.00 0.00 C ATOM 718 O GLY A 47 6.266 9.093 -1.211 1.00 0.00 O ATOM 0 H GLY A 47 6.500 7.135 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.939 8.866 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.300 7.645 -0.212 1.00 0.00 H new ATOM 722 N LEU A 48 5.137 7.809 0.172 1.00 0.00 N ATOM 723 CA LEU A 48 3.855 8.124 -0.514 1.00 0.00 C ATOM 724 C LEU A 48 3.497 9.589 -0.264 1.00 0.00 C ATOM 725 O LEU A 48 3.947 10.179 0.698 1.00 0.00 O ATOM 726 CB LEU A 48 2.740 7.241 0.048 1.00 0.00 C ATOM 727 CG LEU A 48 3.119 5.769 -0.097 1.00 0.00 C ATOM 728 CD1 LEU A 48 2.041 4.902 0.557 1.00 0.00 C ATOM 729 CD2 LEU A 48 3.226 5.416 -1.583 1.00 0.00 C ATOM 0 H LEU A 48 5.062 7.172 0.965 1.00 0.00 H new ATOM 0 HA LEU A 48 3.964 7.942 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.570 7.480 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.807 7.439 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 48 4.077 5.588 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.309 3.850 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.962 5.156 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.083 5.082 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.497 4.365 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.267 5.595 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.991 6.036 -2.050 1.00 0.00 H new ATOM 741 N PRO A 49 2.693 10.133 -1.139 1.00 0.00 N ATOM 742 CA PRO A 49 2.260 11.533 -1.031 1.00 0.00 C ATOM 743 C PRO A 49 1.487 11.726 0.276 1.00 0.00 C ATOM 744 O PRO A 49 0.863 10.811 0.776 1.00 0.00 O ATOM 745 CB PRO A 49 1.345 11.757 -2.244 1.00 0.00 C ATOM 746 CG PRO A 49 1.262 10.419 -3.023 1.00 0.00 C ATOM 747 CD PRO A 49 2.158 9.401 -2.300 1.00 0.00 C ATOM 0 HA PRO A 49 3.093 12.236 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.353 12.075 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.741 12.547 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.233 10.063 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.592 10.555 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.590 8.525 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.959 9.047 -2.949 1.00 0.00 H new ATOM 755 N ASP A 50 1.530 12.901 0.837 1.00 0.00 N ATOM 756 CA ASP A 50 0.809 13.148 2.106 1.00 0.00 C ATOM 757 C ASP A 50 -0.671 12.832 1.927 1.00 0.00 C ATOM 758 O ASP A 50 -1.263 12.091 2.686 1.00 0.00 O ATOM 759 CB ASP A 50 0.983 14.614 2.493 1.00 0.00 C ATOM 760 CG ASP A 50 2.010 14.730 3.620 1.00 0.00 C ATOM 761 OD1 ASP A 50 1.615 14.623 4.769 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.176 14.924 3.315 1.00 0.00 O ATOM 0 H ASP A 50 2.038 13.703 0.465 1.00 0.00 H new ATOM 0 HA ASP A 50 1.212 12.509 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.310 15.192 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.028 15.032 2.813 1.00 0.00 H new ATOM 767 N ASN A 51 -1.267 13.401 0.931 1.00 0.00 N ATOM 768 CA ASN A 51 -2.701 13.172 0.671 1.00 0.00 C ATOM 769 C ASN A 51 -2.918 11.766 0.100 1.00 0.00 C ATOM 770 O ASN A 51 -4.034 11.334 -0.109 1.00 0.00 O ATOM 771 CB ASN A 51 -3.170 14.214 -0.337 1.00 0.00 C ATOM 772 CG ASN A 51 -2.245 14.196 -1.554 1.00 0.00 C ATOM 773 OD1 ASN A 51 -1.303 13.431 -1.603 1.00 0.00 O ATOM 774 ND2 ASN A 51 -2.477 15.009 -2.548 1.00 0.00 N ATOM 0 H ASN A 51 -0.809 14.030 0.271 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.266 13.257 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.195 14.005 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.169 15.204 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.867 15.002 -3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.268 15.652 -2.507 1.00 0.00 H new ATOM 781 N SER A 52 -1.857 11.054 -0.159 1.00 0.00 N ATOM 782 CA SER A 52 -1.988 9.677 -0.725 1.00 0.00 C ATOM 783 C SER A 52 -3.088 8.901 0.022 1.00 0.00 C ATOM 784 O SER A 52 -2.942 8.603 1.190 1.00 0.00 O ATOM 785 CB SER A 52 -0.656 8.942 -0.567 1.00 0.00 C ATOM 786 OG SER A 52 -0.833 7.572 -0.900 1.00 0.00 O ATOM 0 H SER A 52 -0.899 11.366 -0.003 1.00 0.00 H new ATOM 0 HA SER A 52 -2.254 9.746 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.099 9.391 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.295 9.035 0.457 1.00 0.00 H new ATOM 0 HG SER A 52 -0.322 7.015 -0.276 1.00 0.00 H new ATOM 792 N PRO A 53 -4.158 8.593 -0.677 1.00 0.00 N ATOM 793 CA PRO A 53 -5.296 7.851 -0.093 1.00 0.00 C ATOM 794 C PRO A 53 -4.874 6.426 0.288 1.00 0.00 C ATOM 795 O PRO A 53 -4.615 5.594 -0.560 1.00 0.00 O ATOM 796 CB PRO A 53 -6.349 7.807 -1.208 1.00 0.00 C ATOM 797 CG PRO A 53 -5.720 8.440 -2.475 1.00 0.00 C ATOM 798 CD PRO A 53 -4.328 8.966 -2.092 1.00 0.00 C ATOM 0 HA PRO A 53 -5.669 8.325 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.655 6.779 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.244 8.354 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.644 7.702 -3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.346 9.251 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.552 8.520 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.263 10.046 -2.227 1.00 0.00 H new ATOM 806 N THR A 54 -4.808 6.137 1.558 1.00 0.00 N ATOM 807 CA THR A 54 -4.410 4.771 1.991 1.00 0.00 C ATOM 808 C THR A 54 -5.524 4.161 2.847 1.00 0.00 C ATOM 809 O THR A 54 -6.371 4.857 3.368 1.00 0.00 O ATOM 810 CB THR A 54 -3.123 4.870 2.807 1.00 0.00 C ATOM 811 OG1 THR A 54 -3.354 5.668 3.960 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.040 5.514 1.945 1.00 0.00 C ATOM 0 H THR A 54 -5.013 6.790 2.315 1.00 0.00 H new ATOM 0 HA THR A 54 -4.245 4.136 1.121 1.00 0.00 H new ATOM 0 HB THR A 54 -2.803 3.876 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.529 5.731 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.116 5.590 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.869 4.902 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.361 6.510 1.641 1.00 0.00 H new ATOM 820 N LYS A 55 -5.532 2.863 2.988 1.00 0.00 N ATOM 821 CA LYS A 55 -6.590 2.202 3.800 1.00 0.00 C ATOM 822 C LYS A 55 -6.830 2.996 5.086 1.00 0.00 C ATOM 823 O LYS A 55 -5.951 3.144 5.912 1.00 0.00 O ATOM 824 CB LYS A 55 -6.141 0.781 4.152 1.00 0.00 C ATOM 825 CG LYS A 55 -7.050 0.207 5.242 1.00 0.00 C ATOM 826 CD LYS A 55 -8.498 0.195 4.747 1.00 0.00 C ATOM 827 CE LYS A 55 -8.686 -0.936 3.734 1.00 0.00 C ATOM 828 NZ LYS A 55 -10.103 -0.960 3.277 1.00 0.00 N ATOM 0 H LYS A 55 -4.848 2.231 2.573 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.516 2.164 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.176 0.148 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.107 0.791 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.734 -0.804 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.970 0.806 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.179 0.061 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.744 1.152 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.020 -0.791 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.422 -1.892 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.523 -1.886 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.638 -0.214 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.140 -0.797 2.250 1.00 0.00 H new