USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0916 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.575 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.59 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.82 K(o=-1.8,f=-6.6!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.638 USER MOD Single : A 29 ASN : amide:sc= -2.87! C(o=-2.9!,f=-11!) USER MOD Single : A 30 ASN : amide:sc= -1.45! K(o=-1.5!,f=0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 36 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0998) USER MOD Single : A 40 MET CE :methyl -124:sc= -4.64! (180deg=-6.05!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -140:sc= -0.0248 USER MOD Single : A 48 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.97) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-2.9!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 65 SER OG : rot 24:sc= 0.569 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.478 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.705 -12.798 -4.336 1.00 0.00 N ATOM 2 CA GLY A 1 -9.275 -13.042 -4.395 1.00 0.00 C ATOM 3 C GLY A 1 -8.816 -13.461 -5.778 1.00 0.00 C ATOM 4 O GLY A 1 -9.566 -13.354 -6.747 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.883 -11.891 -3.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.092 -12.765 -5.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.166 -13.564 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.743 -12.139 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.012 -13.819 -3.677 1.00 0.00 H new ATOM 8 N SER A 2 -7.578 -13.937 -5.869 1.00 0.00 N ATOM 9 CA SER A 2 -7.017 -14.367 -7.144 1.00 0.00 C ATOM 10 C SER A 2 -5.849 -15.325 -6.928 1.00 0.00 C ATOM 11 O SER A 2 -4.771 -14.919 -6.494 1.00 0.00 O ATOM 12 CB SER A 2 -6.555 -13.157 -7.957 1.00 0.00 C ATOM 13 OG SER A 2 -5.600 -12.394 -7.239 1.00 0.00 O ATOM 0 H SER A 2 -6.945 -14.034 -5.075 1.00 0.00 H new ATOM 0 HA SER A 2 -7.797 -14.891 -7.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.123 -13.492 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.413 -12.532 -8.204 1.00 0.00 H new ATOM 0 HG SER A 2 -4.965 -12.996 -6.799 1.00 0.00 H new ATOM 19 N SER A 3 -6.072 -16.599 -7.234 1.00 0.00 N ATOM 20 CA SER A 3 -5.041 -17.617 -7.070 1.00 0.00 C ATOM 21 C SER A 3 -5.251 -18.767 -8.051 1.00 0.00 C ATOM 22 O SER A 3 -6.353 -18.971 -8.558 1.00 0.00 O ATOM 23 CB SER A 3 -5.043 -18.148 -5.635 1.00 0.00 C ATOM 24 OG SER A 3 -6.344 -18.549 -5.241 1.00 0.00 O ATOM 0 H SER A 3 -6.958 -16.951 -7.597 1.00 0.00 H new ATOM 0 HA SER A 3 -4.075 -17.157 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.359 -18.993 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.676 -17.376 -4.958 1.00 0.00 H new ATOM 0 HG SER A 3 -6.318 -18.886 -4.321 1.00 0.00 H new ATOM 30 N GLY A 4 -4.184 -19.516 -8.312 1.00 0.00 N ATOM 31 CA GLY A 4 -4.271 -20.636 -9.231 1.00 0.00 C ATOM 32 C GLY A 4 -3.582 -20.357 -10.552 1.00 0.00 C ATOM 33 O GLY A 4 -3.089 -19.253 -10.782 1.00 0.00 O ATOM 0 H GLY A 4 -3.261 -19.367 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.823 -21.516 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.319 -20.871 -9.414 1.00 0.00 H new ATOM 37 N SER A 5 -3.544 -21.362 -11.422 1.00 0.00 N ATOM 38 CA SER A 5 -2.904 -21.221 -12.724 1.00 0.00 C ATOM 39 C SER A 5 -3.921 -20.817 -13.788 1.00 0.00 C ATOM 40 O SER A 5 -4.853 -21.563 -14.087 1.00 0.00 O ATOM 41 CB SER A 5 -2.223 -22.531 -13.126 1.00 0.00 C ATOM 42 OG SER A 5 -3.160 -23.592 -13.195 1.00 0.00 O ATOM 0 H SER A 5 -3.949 -22.282 -11.248 1.00 0.00 H new ATOM 0 HA SER A 5 -2.151 -20.436 -12.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.735 -22.409 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.444 -22.776 -12.404 1.00 0.00 H new ATOM 0 HG SER A 5 -4.016 -23.251 -13.528 1.00 0.00 H new ATOM 48 N SER A 6 -3.733 -19.630 -14.356 1.00 0.00 N ATOM 49 CA SER A 6 -4.635 -19.123 -15.383 1.00 0.00 C ATOM 50 C SER A 6 -4.024 -17.920 -16.097 1.00 0.00 C ATOM 51 O SER A 6 -3.349 -17.096 -15.482 1.00 0.00 O ATOM 52 CB SER A 6 -5.979 -18.734 -14.766 1.00 0.00 C ATOM 53 OG SER A 6 -6.891 -18.300 -15.760 1.00 0.00 O ATOM 0 H SER A 6 -2.964 -19.002 -14.122 1.00 0.00 H new ATOM 0 HA SER A 6 -4.795 -19.916 -16.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.398 -19.587 -14.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.830 -17.941 -14.033 1.00 0.00 H new ATOM 0 HG SER A 6 -7.743 -18.059 -15.340 1.00 0.00 H new ATOM 59 N GLY A 7 -4.266 -17.828 -17.401 1.00 0.00 N ATOM 60 CA GLY A 7 -3.733 -16.725 -18.179 1.00 0.00 C ATOM 61 C GLY A 7 -4.411 -15.408 -17.856 1.00 0.00 C ATOM 62 O GLY A 7 -5.639 -15.325 -17.822 1.00 0.00 O ATOM 0 H GLY A 7 -4.822 -18.498 -17.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.663 -16.635 -17.991 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.853 -16.941 -19.241 1.00 0.00 H new ATOM 66 N LYS A 8 -3.610 -14.375 -17.617 1.00 0.00 N ATOM 67 CA LYS A 8 -4.138 -13.055 -17.295 1.00 0.00 C ATOM 68 C LYS A 8 -3.517 -11.987 -18.189 1.00 0.00 C ATOM 69 O LYS A 8 -2.527 -12.238 -18.876 1.00 0.00 O ATOM 70 CB LYS A 8 -3.873 -12.722 -15.825 1.00 0.00 C ATOM 71 CG LYS A 8 -4.654 -13.590 -14.853 1.00 0.00 C ATOM 72 CD LYS A 8 -4.211 -13.360 -13.419 1.00 0.00 C ATOM 73 CE LYS A 8 -4.847 -12.109 -12.833 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.128 -11.638 -11.617 1.00 0.00 N ATOM 0 H LYS A 8 -2.592 -14.427 -17.640 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.214 -13.069 -17.470 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.808 -12.833 -15.623 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.124 -11.676 -15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.718 -13.373 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.519 -14.640 -15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.479 -14.224 -12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.125 -13.269 -13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.849 -11.318 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.888 -12.314 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.592 -10.784 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.147 -12.383 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.141 -11.418 -11.861 1.00 0.00 H new ATOM 88 N ARG A 9 -4.104 -10.795 -18.175 1.00 0.00 N ATOM 89 CA ARG A 9 -3.608 -9.689 -18.984 1.00 0.00 C ATOM 90 C ARG A 9 -2.238 -9.229 -18.495 1.00 0.00 C ATOM 91 O ARG A 9 -1.969 -9.165 -17.295 1.00 0.00 O ATOM 92 CB ARG A 9 -4.593 -8.519 -18.947 1.00 0.00 C ATOM 93 CG ARG A 9 -4.576 -7.668 -20.207 1.00 0.00 C ATOM 94 CD ARG A 9 -5.802 -6.772 -20.290 1.00 0.00 C ATOM 95 NE ARG A 9 -6.915 -7.429 -20.969 1.00 0.00 N ATOM 96 CZ ARG A 9 -7.025 -7.509 -22.291 1.00 0.00 C ATOM 97 NH1 ARG A 9 -6.095 -6.978 -23.071 1.00 0.00 N ATOM 98 NH2 ARG A 9 -8.068 -8.124 -22.834 1.00 0.00 N ATOM 0 H ARG A 9 -4.924 -10.571 -17.612 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.510 -10.040 -20.011 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.600 -8.908 -18.795 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.362 -7.888 -18.089 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.675 -7.055 -20.222 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.536 -8.315 -21.084 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.110 -6.485 -19.285 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.545 -5.854 -20.819 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.648 -7.849 -20.398 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.291 -6.506 -22.657 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.183 -7.041 -24.085 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.785 -8.535 -22.237 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.152 -8.185 -23.849 1.00 0.00 H new ATOM 112 N PRO A 10 -1.349 -8.902 -19.445 1.00 0.00 N ATOM 113 CA PRO A 10 0.008 -8.443 -19.135 1.00 0.00 C ATOM 114 C PRO A 10 0.021 -7.053 -18.507 1.00 0.00 C ATOM 115 O PRO A 10 0.920 -6.719 -17.735 1.00 0.00 O ATOM 116 CB PRO A 10 0.695 -8.418 -20.503 1.00 0.00 C ATOM 117 CG PRO A 10 -0.414 -8.241 -21.481 1.00 0.00 C ATOM 118 CD PRO A 10 -1.601 -8.955 -20.895 1.00 0.00 C ATOM 0 HA PRO A 10 0.500 -9.088 -18.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.415 -7.602 -20.569 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.242 -9.342 -20.688 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.632 -7.184 -21.637 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.148 -8.658 -22.452 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.537 -8.462 -21.159 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.670 -9.982 -21.254 1.00 0.00 H new ATOM 126 N ARG A 11 -0.982 -6.248 -18.843 1.00 0.00 N ATOM 127 CA ARG A 11 -1.085 -4.894 -18.312 1.00 0.00 C ATOM 128 C ARG A 11 -2.312 -4.754 -17.416 1.00 0.00 C ATOM 129 O ARG A 11 -3.444 -4.958 -17.857 1.00 0.00 O ATOM 130 CB ARG A 11 -1.156 -3.880 -19.455 1.00 0.00 C ATOM 131 CG ARG A 11 0.053 -3.914 -20.375 1.00 0.00 C ATOM 132 CD ARG A 11 0.249 -2.584 -21.086 1.00 0.00 C ATOM 133 NE ARG A 11 1.092 -1.672 -20.317 1.00 0.00 N ATOM 134 CZ ARG A 11 1.106 -0.356 -20.497 1.00 0.00 C ATOM 135 NH1 ARG A 11 0.325 0.200 -21.413 1.00 0.00 N ATOM 136 NH2 ARG A 11 1.901 0.408 -19.758 1.00 0.00 N ATOM 0 H ARG A 11 -1.734 -6.510 -19.480 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.195 -4.696 -17.714 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.054 -4.070 -20.042 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.255 -2.879 -19.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.945 -4.154 -19.797 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.071 -4.707 -21.112 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.700 -2.758 -22.063 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.722 -2.120 -21.261 1.00 0.00 H new ATOM 0 HE ARG A 11 1.703 -2.067 -19.603 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.289 -0.383 -21.982 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.338 1.211 -21.549 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.502 -0.015 -19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.911 1.418 -19.897 1.00 0.00 H new ATOM 150 N THR A 12 -2.080 -4.404 -16.154 1.00 0.00 N ATOM 151 CA THR A 12 -3.166 -4.238 -15.196 1.00 0.00 C ATOM 152 C THR A 12 -2.930 -3.025 -14.303 1.00 0.00 C ATOM 153 O THR A 12 -1.790 -2.705 -13.964 1.00 0.00 O ATOM 154 CB THR A 12 -3.330 -5.489 -14.311 1.00 0.00 C ATOM 155 OG1 THR A 12 -3.410 -6.661 -15.129 1.00 0.00 O ATOM 156 CG2 THR A 12 -4.578 -5.380 -13.447 1.00 0.00 C ATOM 0 H THR A 12 -1.150 -4.230 -15.772 1.00 0.00 H new ATOM 0 HA THR A 12 -4.078 -4.089 -15.774 1.00 0.00 H new ATOM 0 HB THR A 12 -2.460 -5.562 -13.658 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.513 -7.451 -14.559 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.673 -6.274 -12.831 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.500 -4.503 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.456 -5.285 -14.086 1.00 0.00 H new ATOM 164 N ARG A 13 -4.013 -2.355 -13.924 1.00 0.00 N ATOM 165 CA ARG A 13 -3.923 -1.177 -13.071 1.00 0.00 C ATOM 166 C ARG A 13 -4.119 -1.551 -11.605 1.00 0.00 C ATOM 167 O ARG A 13 -4.711 -2.585 -11.291 1.00 0.00 O ATOM 168 CB ARG A 13 -4.967 -0.139 -13.487 1.00 0.00 C ATOM 169 CG ARG A 13 -4.567 1.291 -13.163 1.00 0.00 C ATOM 170 CD ARG A 13 -5.159 2.275 -14.160 1.00 0.00 C ATOM 171 NE ARG A 13 -4.281 2.485 -15.308 1.00 0.00 N ATOM 172 CZ ARG A 13 -3.153 3.185 -15.253 1.00 0.00 C ATOM 173 NH1 ARG A 13 -2.767 3.738 -14.111 1.00 0.00 N ATOM 174 NH2 ARG A 13 -2.408 3.332 -16.341 1.00 0.00 N ATOM 0 H ARG A 13 -4.963 -2.608 -14.194 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.927 -0.749 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.144 -0.224 -14.559 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.910 -0.365 -12.989 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.902 1.545 -12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.480 1.376 -13.168 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.125 1.905 -14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.342 3.228 -13.664 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.548 2.072 -16.201 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.337 3.626 -13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.901 4.275 -14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.701 2.907 -17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.542 3.870 -16.297 1.00 0.00 H new ATOM 188 N ILE A 14 -3.617 -0.705 -10.711 1.00 0.00 N ATOM 189 CA ILE A 14 -3.737 -0.948 -9.279 1.00 0.00 C ATOM 190 C ILE A 14 -4.973 -0.263 -8.707 1.00 0.00 C ATOM 191 O ILE A 14 -5.244 0.902 -9.001 1.00 0.00 O ATOM 192 CB ILE A 14 -2.492 -0.454 -8.518 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.245 -1.199 -8.997 1.00 0.00 C ATOM 194 CG2 ILE A 14 -2.681 -0.635 -7.019 1.00 0.00 C ATOM 195 CD1 ILE A 14 0.043 -0.447 -8.745 1.00 0.00 C ATOM 0 H ILE A 14 -3.124 0.154 -10.953 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.829 -2.026 -9.149 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.358 0.608 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.195 -2.166 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.338 -1.397 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.793 -0.281 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.548 -0.063 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.837 -1.691 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.885 -1.035 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.014 0.509 -9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.159 -0.272 -7.675 1.00 0.00 H new ATOM 207 N THR A 15 -5.722 -0.993 -7.887 1.00 0.00 N ATOM 208 CA THR A 15 -6.930 -0.457 -7.273 1.00 0.00 C ATOM 209 C THR A 15 -6.645 0.075 -5.872 1.00 0.00 C ATOM 210 O THR A 15 -5.523 -0.026 -5.376 1.00 0.00 O ATOM 211 CB THR A 15 -8.039 -1.522 -7.189 1.00 0.00 C ATOM 212 OG1 THR A 15 -7.892 -2.290 -5.990 1.00 0.00 O ATOM 213 CG2 THR A 15 -7.994 -2.446 -8.398 1.00 0.00 C ATOM 0 H THR A 15 -5.513 -1.958 -7.633 1.00 0.00 H new ATOM 0 HA THR A 15 -7.270 0.361 -7.908 1.00 0.00 H new ATOM 0 HB THR A 15 -9.002 -1.012 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.602 -2.964 -5.944 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.786 -3.190 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.136 -1.862 -9.308 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.027 -2.948 -8.436 1.00 0.00 H new ATOM 221 N ASP A 16 -7.668 0.639 -5.240 1.00 0.00 N ATOM 222 CA ASP A 16 -7.528 1.185 -3.894 1.00 0.00 C ATOM 223 C ASP A 16 -7.320 0.069 -2.875 1.00 0.00 C ATOM 224 O ASP A 16 -6.364 0.093 -2.100 1.00 0.00 O ATOM 225 CB ASP A 16 -8.763 2.008 -3.524 1.00 0.00 C ATOM 226 CG ASP A 16 -8.928 3.231 -4.404 1.00 0.00 C ATOM 227 OD1 ASP A 16 -8.009 4.077 -4.424 1.00 0.00 O ATOM 228 OD2 ASP A 16 -9.976 3.343 -5.073 1.00 0.00 O ATOM 0 H ASP A 16 -8.603 0.730 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.652 1.833 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.651 1.382 -3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.689 2.321 -2.482 1.00 0.00 H new ATOM 233 N ASP A 17 -8.222 -0.906 -2.880 1.00 0.00 N ATOM 234 CA ASP A 17 -8.138 -2.030 -1.955 1.00 0.00 C ATOM 235 C ASP A 17 -6.781 -2.719 -2.059 1.00 0.00 C ATOM 236 O ASP A 17 -6.370 -3.440 -1.151 1.00 0.00 O ATOM 237 CB ASP A 17 -9.257 -3.035 -2.237 1.00 0.00 C ATOM 238 CG ASP A 17 -10.636 -2.432 -2.056 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.052 -2.242 -0.893 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.299 -2.150 -3.075 1.00 0.00 O ATOM 0 H ASP A 17 -9.020 -0.941 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.253 -1.644 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.158 -3.408 -3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.148 -3.892 -1.572 1.00 0.00 H new ATOM 245 N GLN A 18 -6.092 -2.492 -3.173 1.00 0.00 N ATOM 246 CA GLN A 18 -4.782 -3.093 -3.396 1.00 0.00 C ATOM 247 C GLN A 18 -3.667 -2.121 -3.023 1.00 0.00 C ATOM 248 O GLN A 18 -2.659 -2.512 -2.434 1.00 0.00 O ATOM 249 CB GLN A 18 -4.635 -3.520 -4.857 1.00 0.00 C ATOM 250 CG GLN A 18 -5.401 -4.787 -5.200 1.00 0.00 C ATOM 251 CD GLN A 18 -4.818 -5.516 -6.395 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.289 -6.620 -6.265 1.00 0.00 O ATOM 253 NE2 GLN A 18 -4.912 -4.901 -7.568 1.00 0.00 N ATOM 0 H GLN A 18 -6.419 -1.897 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.701 -3.973 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.981 -2.711 -5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.579 -3.673 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.400 -5.453 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.441 -4.534 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.359 -3.986 -7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.537 -5.343 -8.407 1.00 0.00 H new ATOM 262 N LEU A 19 -3.855 -0.852 -3.370 1.00 0.00 N ATOM 263 CA LEU A 19 -2.865 0.177 -3.072 1.00 0.00 C ATOM 264 C LEU A 19 -2.705 0.360 -1.566 1.00 0.00 C ATOM 265 O LEU A 19 -1.591 0.508 -1.064 1.00 0.00 O ATOM 266 CB LEU A 19 -3.268 1.503 -3.718 1.00 0.00 C ATOM 267 CG LEU A 19 -2.399 2.712 -3.369 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.066 2.639 -4.097 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.125 4.006 -3.709 1.00 0.00 C ATOM 0 H LEU A 19 -4.684 -0.511 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.908 -0.145 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.258 1.374 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.296 1.725 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.205 2.699 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.461 3.508 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.541 1.730 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.239 2.627 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.492 4.856 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.350 4.028 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.054 4.062 -3.141 1.00 0.00 H new ATOM 281 N ARG A 20 -3.825 0.345 -0.852 1.00 0.00 N ATOM 282 CA ARG A 20 -3.809 0.508 0.597 1.00 0.00 C ATOM 283 C ARG A 20 -2.850 -0.485 1.246 1.00 0.00 C ATOM 284 O ARG A 20 -2.092 -0.133 2.149 1.00 0.00 O ATOM 285 CB ARG A 20 -5.216 0.322 1.168 1.00 0.00 C ATOM 286 CG ARG A 20 -5.767 -1.083 0.984 1.00 0.00 C ATOM 287 CD ARG A 20 -7.163 -1.215 1.572 1.00 0.00 C ATOM 288 NE ARG A 20 -7.134 -1.348 3.026 1.00 0.00 N ATOM 289 CZ ARG A 20 -6.842 -2.481 3.655 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.556 -3.574 2.961 1.00 0.00 N ATOM 291 NH2 ARG A 20 -6.836 -2.522 4.982 1.00 0.00 N ATOM 0 H ARG A 20 -4.755 0.222 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.464 1.518 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.202 0.561 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.890 1.033 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.793 -1.329 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.101 -1.802 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.755 -0.341 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.658 -2.084 1.138 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.350 -0.526 3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.560 -3.546 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.332 -4.443 3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.056 -1.683 5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.612 -3.392 5.464 1.00 0.00 H new ATOM 305 N VAL A 21 -2.889 -1.729 0.778 1.00 0.00 N ATOM 306 CA VAL A 21 -2.023 -2.774 1.312 1.00 0.00 C ATOM 307 C VAL A 21 -0.553 -2.411 1.137 1.00 0.00 C ATOM 308 O VAL A 21 0.285 -2.748 1.975 1.00 0.00 O ATOM 309 CB VAL A 21 -2.291 -4.128 0.629 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.240 -5.149 1.036 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.689 -4.627 0.965 1.00 0.00 C ATOM 0 H VAL A 21 -3.511 -2.037 0.031 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.249 -2.861 2.375 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.229 -3.989 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.446 -6.099 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.253 -4.793 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.266 -5.287 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.861 -5.585 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.782 -4.751 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.427 -3.904 0.618 1.00 0.00 H new ATOM 321 N LEU A 22 -0.245 -1.722 0.044 1.00 0.00 N ATOM 322 CA LEU A 22 1.126 -1.312 -0.241 1.00 0.00 C ATOM 323 C LEU A 22 1.524 -0.112 0.612 1.00 0.00 C ATOM 324 O LEU A 22 2.695 0.062 0.949 1.00 0.00 O ATOM 325 CB LEU A 22 1.279 -0.971 -1.724 1.00 0.00 C ATOM 326 CG LEU A 22 0.581 -1.914 -2.705 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.359 -1.225 -4.042 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.392 -3.189 -2.888 1.00 0.00 C ATOM 0 H LEU A 22 -0.926 -1.435 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 22 1.786 -2.144 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.897 0.037 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.342 -0.951 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.392 -2.182 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.139 -1.912 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.263 -0.342 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.320 -0.927 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.880 -3.848 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.379 -2.940 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.499 -3.693 -1.928 1.00 0.00 H new ATOM 340 N ARG A 23 0.541 0.713 0.959 1.00 0.00 N ATOM 341 CA ARG A 23 0.789 1.896 1.774 1.00 0.00 C ATOM 342 C ARG A 23 1.088 1.509 3.219 1.00 0.00 C ATOM 343 O ARG A 23 2.113 1.899 3.777 1.00 0.00 O ATOM 344 CB ARG A 23 -0.417 2.836 1.726 1.00 0.00 C ATOM 345 CG ARG A 23 -0.498 3.659 0.450 1.00 0.00 C ATOM 346 CD ARG A 23 0.428 4.864 0.505 1.00 0.00 C ATOM 347 NE ARG A 23 -0.219 6.023 1.114 1.00 0.00 N ATOM 348 CZ ARG A 23 -1.162 6.739 0.512 1.00 0.00 C ATOM 349 NH1 ARG A 23 -1.567 6.416 -0.709 1.00 0.00 N ATOM 350 NH2 ARG A 23 -1.703 7.781 1.131 1.00 0.00 N ATOM 0 H ARG A 23 -0.434 0.584 0.688 1.00 0.00 H new ATOM 0 HA ARG A 23 1.659 2.411 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.329 2.248 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.375 3.510 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.235 3.035 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.524 3.994 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.323 4.608 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.753 5.118 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 23 0.069 6.298 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.154 5.616 -1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.291 6.968 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.395 8.033 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.427 8.330 0.668 1.00 0.00 H new ATOM 364 N GLN A 24 0.185 0.739 3.819 1.00 0.00 N ATOM 365 CA GLN A 24 0.352 0.300 5.199 1.00 0.00 C ATOM 366 C GLN A 24 1.789 -0.139 5.461 1.00 0.00 C ATOM 367 O GLN A 24 2.367 0.181 6.499 1.00 0.00 O ATOM 368 CB GLN A 24 -0.609 -0.848 5.511 1.00 0.00 C ATOM 369 CG GLN A 24 -2.070 -0.500 5.274 1.00 0.00 C ATOM 370 CD GLN A 24 -3.007 -1.256 6.195 1.00 0.00 C ATOM 371 OE1 GLN A 24 -3.087 -2.484 6.146 1.00 0.00 O ATOM 372 NE2 GLN A 24 -3.724 -0.525 7.041 1.00 0.00 N ATOM 0 H GLN A 24 -0.669 0.407 3.371 1.00 0.00 H new ATOM 0 HA GLN A 24 0.124 1.143 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.345 -1.709 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.479 -1.147 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.212 0.571 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.329 -0.720 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.626 0.490 7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.373 -0.979 7.684 1.00 0.00 H new ATOM 381 N TYR A 25 2.359 -0.875 4.513 1.00 0.00 N ATOM 382 CA TYR A 25 3.728 -1.361 4.642 1.00 0.00 C ATOM 383 C TYR A 25 4.726 -0.212 4.536 1.00 0.00 C ATOM 384 O TYR A 25 5.735 -0.184 5.241 1.00 0.00 O ATOM 385 CB TYR A 25 4.023 -2.408 3.567 1.00 0.00 C ATOM 386 CG TYR A 25 3.640 -3.814 3.969 1.00 0.00 C ATOM 387 CD1 TYR A 25 2.310 -4.216 3.983 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.608 -4.740 4.337 1.00 0.00 C ATOM 389 CE1 TYR A 25 1.955 -5.499 4.351 1.00 0.00 C ATOM 390 CE2 TYR A 25 4.262 -6.026 4.705 1.00 0.00 C ATOM 391 CZ TYR A 25 2.935 -6.401 4.711 1.00 0.00 C ATOM 392 OH TYR A 25 2.587 -7.681 5.078 1.00 0.00 O ATOM 0 H TYR A 25 1.894 -1.148 3.647 1.00 0.00 H new ATOM 0 HA TYR A 25 3.833 -1.820 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.488 -2.141 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.087 -2.384 3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.540 -3.513 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.648 -4.450 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.916 -5.795 4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.027 -6.734 4.987 1.00 0.00 H new ATOM 0 HH TYR A 25 1.769 -7.945 4.608 1.00 0.00 H new ATOM 402 N PHE A 26 4.436 0.736 3.652 1.00 0.00 N ATOM 403 CA PHE A 26 5.307 1.889 3.452 1.00 0.00 C ATOM 404 C PHE A 26 5.638 2.557 4.784 1.00 0.00 C ATOM 405 O PHE A 26 6.804 2.801 5.095 1.00 0.00 O ATOM 406 CB PHE A 26 4.645 2.898 2.513 1.00 0.00 C ATOM 407 CG PHE A 26 5.618 3.838 1.860 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.215 4.854 2.589 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.938 3.704 0.519 1.00 0.00 C ATOM 410 CE1 PHE A 26 7.110 5.721 1.991 1.00 0.00 C ATOM 411 CE2 PHE A 26 6.833 4.567 -0.085 1.00 0.00 C ATOM 412 CZ PHE A 26 7.421 5.576 0.653 1.00 0.00 C ATOM 0 H PHE A 26 3.604 0.729 3.062 1.00 0.00 H new ATOM 0 HA PHE A 26 6.235 1.538 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.099 2.358 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.913 3.478 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.978 4.970 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.483 2.916 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.566 6.511 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.072 4.453 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.123 6.250 0.185 1.00 0.00 H new ATOM 422 N ASP A 27 4.604 2.851 5.564 1.00 0.00 N ATOM 423 CA ASP A 27 4.783 3.490 6.862 1.00 0.00 C ATOM 424 C ASP A 27 5.651 2.631 7.776 1.00 0.00 C ATOM 425 O ASP A 27 6.533 3.139 8.469 1.00 0.00 O ATOM 426 CB ASP A 27 3.427 3.748 7.520 1.00 0.00 C ATOM 427 CG ASP A 27 3.560 4.242 8.947 1.00 0.00 C ATOM 428 OD1 ASP A 27 4.238 5.268 9.158 1.00 0.00 O ATOM 429 OD2 ASP A 27 2.985 3.601 9.853 1.00 0.00 O ATOM 0 H ASP A 27 3.633 2.657 5.320 1.00 0.00 H new ATOM 0 HA ASP A 27 5.287 4.443 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.876 4.484 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.841 2.829 7.510 1.00 0.00 H new ATOM 434 N ILE A 28 5.394 1.327 7.773 1.00 0.00 N ATOM 435 CA ILE A 28 6.151 0.397 8.602 1.00 0.00 C ATOM 436 C ILE A 28 7.584 0.255 8.100 1.00 0.00 C ATOM 437 O ILE A 28 8.481 -0.121 8.853 1.00 0.00 O ATOM 438 CB ILE A 28 5.490 -0.993 8.636 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.087 -0.901 9.238 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.349 -1.969 9.426 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.193 -2.064 8.869 1.00 0.00 C ATOM 0 H ILE A 28 4.667 0.891 7.206 1.00 0.00 H new ATOM 0 HA ILE A 28 6.161 0.809 9.611 1.00 0.00 H new ATOM 0 HB ILE A 28 5.402 -1.362 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.169 -0.847 10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.619 0.026 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.868 -2.947 9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.329 -2.053 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.466 -1.607 10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.215 -1.932 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.080 -2.107 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.639 -2.993 9.224 1.00 0.00 H new ATOM 453 N ASN A 29 7.791 0.561 6.823 1.00 0.00 N ATOM 454 CA ASN A 29 9.116 0.469 6.220 1.00 0.00 C ATOM 455 C ASN A 29 9.127 1.103 4.833 1.00 0.00 C ATOM 456 O ASN A 29 8.364 0.709 3.953 1.00 0.00 O ATOM 457 CB ASN A 29 9.556 -0.994 6.129 1.00 0.00 C ATOM 458 CG ASN A 29 10.846 -1.161 5.348 1.00 0.00 C ATOM 459 OD1 ASN A 29 11.391 -0.195 4.814 1.00 0.00 O ATOM 460 ND2 ASN A 29 11.340 -2.392 5.279 1.00 0.00 N ATOM 0 H ASN A 29 7.059 0.875 6.186 1.00 0.00 H new ATOM 0 HA ASN A 29 9.816 1.013 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.688 -1.394 7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.768 -1.579 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.205 -2.566 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.854 -3.163 5.737 1.00 0.00 H new ATOM 467 N ASN A 30 10.000 2.088 4.646 1.00 0.00 N ATOM 468 CA ASN A 30 10.111 2.777 3.365 1.00 0.00 C ATOM 469 C ASN A 30 9.854 1.818 2.207 1.00 0.00 C ATOM 470 O ASN A 30 8.896 1.983 1.452 1.00 0.00 O ATOM 471 CB ASN A 30 11.498 3.408 3.221 1.00 0.00 C ATOM 472 CG ASN A 30 11.812 4.376 4.345 1.00 0.00 C ATOM 473 OD1 ASN A 30 11.686 5.591 4.187 1.00 0.00 O ATOM 474 ND2 ASN A 30 12.224 3.842 5.489 1.00 0.00 N ATOM 0 H ASN A 30 10.640 2.427 5.364 1.00 0.00 H new ATOM 0 HA ASN A 30 9.356 3.563 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.252 2.621 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.559 3.931 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.450 4.444 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.314 2.830 5.576 1.00 0.00 H new ATOM 481 N SER A 31 10.716 0.815 2.074 1.00 0.00 N ATOM 482 CA SER A 31 10.584 -0.169 1.006 1.00 0.00 C ATOM 483 C SER A 31 10.373 -1.567 1.579 1.00 0.00 C ATOM 484 O SER A 31 10.929 -1.932 2.614 1.00 0.00 O ATOM 485 CB SER A 31 11.827 -0.154 0.113 1.00 0.00 C ATOM 486 OG SER A 31 12.977 -0.562 0.834 1.00 0.00 O ATOM 0 H SER A 31 11.513 0.662 2.692 1.00 0.00 H new ATOM 0 HA SER A 31 9.712 0.095 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.674 -0.816 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.980 0.849 -0.286 1.00 0.00 H new ATOM 0 HG SER A 31 13.757 -0.546 0.241 1.00 0.00 H new ATOM 492 N PRO A 32 9.548 -2.370 0.889 1.00 0.00 N ATOM 493 CA PRO A 32 9.243 -3.741 1.309 1.00 0.00 C ATOM 494 C PRO A 32 10.439 -4.674 1.154 1.00 0.00 C ATOM 495 O PRO A 32 11.413 -4.343 0.478 1.00 0.00 O ATOM 496 CB PRO A 32 8.114 -4.158 0.364 1.00 0.00 C ATOM 497 CG PRO A 32 8.300 -3.310 -0.847 1.00 0.00 C ATOM 498 CD PRO A 32 8.850 -2.001 -0.354 1.00 0.00 C ATOM 0 HA PRO A 32 8.976 -3.794 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.175 -5.218 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.137 -3.992 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.985 -3.781 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.355 -3.164 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.530 -1.553 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.057 -1.276 -0.170 1.00 0.00 H new ATOM 506 N SER A 33 10.359 -5.841 1.786 1.00 0.00 N ATOM 507 CA SER A 33 11.437 -6.821 1.721 1.00 0.00 C ATOM 508 C SER A 33 11.047 -7.999 0.834 1.00 0.00 C ATOM 509 O SER A 33 9.869 -8.333 0.710 1.00 0.00 O ATOM 510 CB SER A 33 11.788 -7.318 3.124 1.00 0.00 C ATOM 511 OG SER A 33 12.372 -8.608 3.077 1.00 0.00 O ATOM 0 H SER A 33 9.559 -6.131 2.349 1.00 0.00 H new ATOM 0 HA SER A 33 12.311 -6.335 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.478 -6.620 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.889 -7.345 3.739 1.00 0.00 H new ATOM 0 HG SER A 33 12.589 -8.902 3.986 1.00 0.00 H new ATOM 517 N GLU A 34 12.046 -8.624 0.218 1.00 0.00 N ATOM 518 CA GLU A 34 11.808 -9.765 -0.658 1.00 0.00 C ATOM 519 C GLU A 34 10.724 -10.674 -0.085 1.00 0.00 C ATOM 520 O GLU A 34 10.049 -11.392 -0.822 1.00 0.00 O ATOM 521 CB GLU A 34 13.100 -10.559 -0.862 1.00 0.00 C ATOM 522 CG GLU A 34 14.233 -9.737 -1.453 1.00 0.00 C ATOM 523 CD GLU A 34 14.041 -9.458 -2.931 1.00 0.00 C ATOM 524 OE1 GLU A 34 13.489 -10.330 -3.633 1.00 0.00 O ATOM 525 OE2 GLU A 34 14.445 -8.366 -3.385 1.00 0.00 O ATOM 0 H GLU A 34 13.027 -8.359 0.310 1.00 0.00 H new ATOM 0 HA GLU A 34 11.468 -9.386 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.420 -10.968 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.896 -11.406 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.310 -8.792 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.175 -10.265 -1.306 1.00 0.00 H new ATOM 532 N GLU A 35 10.565 -10.638 1.234 1.00 0.00 N ATOM 533 CA GLU A 35 9.565 -11.459 1.906 1.00 0.00 C ATOM 534 C GLU A 35 8.187 -10.808 1.831 1.00 0.00 C ATOM 535 O GLU A 35 7.182 -11.483 1.613 1.00 0.00 O ATOM 536 CB GLU A 35 9.957 -11.685 3.368 1.00 0.00 C ATOM 537 CG GLU A 35 10.825 -12.913 3.583 1.00 0.00 C ATOM 538 CD GLU A 35 11.755 -12.769 4.772 1.00 0.00 C ATOM 539 OE1 GLU A 35 12.225 -11.640 5.026 1.00 0.00 O ATOM 540 OE2 GLU A 35 12.011 -13.786 5.450 1.00 0.00 O ATOM 0 H GLU A 35 11.116 -10.049 1.858 1.00 0.00 H new ATOM 0 HA GLU A 35 9.520 -12.422 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.489 -10.806 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.052 -11.781 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.186 -13.784 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.415 -13.098 2.685 1.00 0.00 H new ATOM 547 N GLN A 36 8.150 -9.492 2.015 1.00 0.00 N ATOM 548 CA GLN A 36 6.896 -8.750 1.970 1.00 0.00 C ATOM 549 C GLN A 36 6.382 -8.636 0.539 1.00 0.00 C ATOM 550 O GLN A 36 5.204 -8.878 0.272 1.00 0.00 O ATOM 551 CB GLN A 36 7.083 -7.355 2.570 1.00 0.00 C ATOM 552 CG GLN A 36 7.473 -7.372 4.039 1.00 0.00 C ATOM 553 CD GLN A 36 7.729 -5.983 4.591 1.00 0.00 C ATOM 554 OE1 GLN A 36 7.879 -5.021 3.837 1.00 0.00 O ATOM 555 NE2 GLN A 36 7.781 -5.872 5.913 1.00 0.00 N ATOM 0 H GLN A 36 8.974 -8.918 2.197 1.00 0.00 H new ATOM 0 HA GLN A 36 6.159 -9.296 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.850 -6.825 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.157 -6.792 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.680 -7.848 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.369 -7.980 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.651 -6.696 6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.951 -4.962 6.342 1.00 0.00 H new ATOM 564 N ILE A 37 7.271 -8.267 -0.376 1.00 0.00 N ATOM 565 CA ILE A 37 6.907 -8.122 -1.780 1.00 0.00 C ATOM 566 C ILE A 37 6.169 -9.357 -2.287 1.00 0.00 C ATOM 567 O ILE A 37 5.331 -9.268 -3.184 1.00 0.00 O ATOM 568 CB ILE A 37 8.146 -7.881 -2.662 1.00 0.00 C ATOM 569 CG1 ILE A 37 8.991 -6.741 -2.091 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.728 -7.574 -4.092 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.146 -6.339 -2.982 1.00 0.00 C ATOM 0 H ILE A 37 8.249 -8.063 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 37 6.250 -7.255 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 37 8.751 -8.788 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.352 -5.874 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.381 -7.041 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.615 -7.406 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.164 -8.415 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.104 -6.680 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.701 -5.526 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.807 -7.193 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.763 -6.008 -3.947 1.00 0.00 H new ATOM 583 N LYS A 38 6.484 -10.508 -1.704 1.00 0.00 N ATOM 584 CA LYS A 38 5.849 -11.762 -2.093 1.00 0.00 C ATOM 585 C LYS A 38 4.544 -11.970 -1.332 1.00 0.00 C ATOM 586 O LYS A 38 3.505 -12.247 -1.929 1.00 0.00 O ATOM 587 CB LYS A 38 6.795 -12.938 -1.835 1.00 0.00 C ATOM 588 CG LYS A 38 6.549 -14.127 -2.746 1.00 0.00 C ATOM 589 CD LYS A 38 7.192 -13.928 -4.109 1.00 0.00 C ATOM 590 CE LYS A 38 6.901 -15.096 -5.039 1.00 0.00 C ATOM 591 NZ LYS A 38 7.527 -16.358 -4.555 1.00 0.00 N ATOM 0 H LYS A 38 7.176 -10.599 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 38 5.624 -11.711 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.824 -12.601 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.690 -13.257 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.947 -15.030 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.476 -14.278 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.822 -13.005 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.270 -13.815 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.823 -15.234 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.272 -14.866 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.422 -17.097 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.537 -16.195 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.059 -16.664 -3.678 1.00 0.00 H new ATOM 605 N GLU A 39 4.606 -11.833 -0.011 1.00 0.00 N ATOM 606 CA GLU A 39 3.427 -12.006 0.830 1.00 0.00 C ATOM 607 C GLU A 39 2.297 -11.085 0.379 1.00 0.00 C ATOM 608 O GLU A 39 1.120 -11.419 0.511 1.00 0.00 O ATOM 609 CB GLU A 39 3.773 -11.727 2.295 1.00 0.00 C ATOM 610 CG GLU A 39 3.586 -10.274 2.698 1.00 0.00 C ATOM 611 CD GLU A 39 3.944 -10.021 4.149 1.00 0.00 C ATOM 612 OE1 GLU A 39 3.209 -10.506 5.035 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.959 -9.338 4.400 1.00 0.00 O ATOM 0 H GLU A 39 5.459 -11.603 0.499 1.00 0.00 H new ATOM 0 HA GLU A 39 3.092 -13.039 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.151 -12.355 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.808 -12.015 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.203 -9.641 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.549 -9.984 2.527 1.00 0.00 H new ATOM 620 N MET A 40 2.665 -9.924 -0.154 1.00 0.00 N ATOM 621 CA MET A 40 1.682 -8.955 -0.626 1.00 0.00 C ATOM 622 C MET A 40 1.189 -9.317 -2.023 1.00 0.00 C ATOM 623 O MET A 40 -0.014 -9.325 -2.284 1.00 0.00 O ATOM 624 CB MET A 40 2.284 -7.549 -0.633 1.00 0.00 C ATOM 625 CG MET A 40 2.341 -6.905 0.743 1.00 0.00 C ATOM 626 SD MET A 40 3.101 -5.270 0.714 1.00 0.00 S ATOM 627 CE MET A 40 4.822 -5.701 0.465 1.00 0.00 C ATOM 0 H MET A 40 3.635 -9.632 -0.270 1.00 0.00 H new ATOM 0 HA MET A 40 0.832 -8.975 0.056 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.292 -7.596 -1.045 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.697 -6.915 -1.298 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.331 -6.825 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.902 -7.550 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.425 -5.269 1.264 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.931 -6.786 0.475 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.159 -5.311 -0.495 1.00 0.00 H new ATOM 637 N ALA A 41 2.126 -9.616 -2.917 1.00 0.00 N ATOM 638 CA ALA A 41 1.785 -9.980 -4.287 1.00 0.00 C ATOM 639 C ALA A 41 0.638 -10.984 -4.319 1.00 0.00 C ATOM 640 O ALA A 41 -0.112 -11.053 -5.294 1.00 0.00 O ATOM 641 CB ALA A 41 3.004 -10.546 -5.001 1.00 0.00 C ATOM 0 H ALA A 41 3.126 -9.613 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 41 1.459 -9.079 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.735 -10.814 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.796 -9.797 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.355 -11.433 -4.474 1.00 0.00 H new ATOM 647 N ASP A 42 0.507 -11.760 -3.249 1.00 0.00 N ATOM 648 CA ASP A 42 -0.550 -12.760 -3.155 1.00 0.00 C ATOM 649 C ASP A 42 -1.770 -12.195 -2.433 1.00 0.00 C ATOM 650 O ASP A 42 -2.910 -12.471 -2.808 1.00 0.00 O ATOM 651 CB ASP A 42 -0.041 -14.004 -2.426 1.00 0.00 C ATOM 652 CG ASP A 42 -0.877 -15.233 -2.726 1.00 0.00 C ATOM 653 OD1 ASP A 42 -1.535 -15.258 -3.786 1.00 0.00 O ATOM 654 OD2 ASP A 42 -0.872 -16.170 -1.899 1.00 0.00 O ATOM 0 H ASP A 42 1.120 -11.716 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.845 -13.037 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.993 -14.193 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.044 -13.819 -1.352 1.00 0.00 H new ATOM 659 N LYS A 43 -1.522 -11.405 -1.394 1.00 0.00 N ATOM 660 CA LYS A 43 -2.599 -10.801 -0.618 1.00 0.00 C ATOM 661 C LYS A 43 -3.482 -9.926 -1.502 1.00 0.00 C ATOM 662 O LYS A 43 -4.709 -10.011 -1.448 1.00 0.00 O ATOM 663 CB LYS A 43 -2.023 -9.969 0.530 1.00 0.00 C ATOM 664 CG LYS A 43 -1.736 -10.777 1.783 1.00 0.00 C ATOM 665 CD LYS A 43 -1.274 -9.888 2.926 1.00 0.00 C ATOM 666 CE LYS A 43 -0.762 -10.710 4.099 1.00 0.00 C ATOM 667 NZ LYS A 43 -1.875 -11.223 4.945 1.00 0.00 N ATOM 0 H LYS A 43 -0.584 -11.168 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.211 -11.603 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.101 -9.493 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.723 -9.170 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.634 -11.318 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.971 -11.523 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.485 -9.222 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.100 -9.258 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.174 -11.548 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.096 -10.099 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.485 -11.778 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.422 -10.423 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.497 -11.827 4.371 1.00 0.00 H new ATOM 681 N SER A 44 -2.850 -9.086 -2.315 1.00 0.00 N ATOM 682 CA SER A 44 -3.578 -8.194 -3.209 1.00 0.00 C ATOM 683 C SER A 44 -3.826 -8.861 -4.559 1.00 0.00 C ATOM 684 O SER A 44 -4.930 -8.803 -5.099 1.00 0.00 O ATOM 685 CB SER A 44 -2.802 -6.890 -3.406 1.00 0.00 C ATOM 686 OG SER A 44 -1.748 -7.060 -4.338 1.00 0.00 O ATOM 0 H SER A 44 -1.835 -9.005 -2.373 1.00 0.00 H new ATOM 0 HA SER A 44 -4.542 -7.969 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.478 -6.110 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.397 -6.556 -2.451 1.00 0.00 H new ATOM 0 HG SER A 44 -0.957 -6.570 -4.030 1.00 0.00 H new ATOM 692 N GLY A 45 -2.789 -9.494 -5.098 1.00 0.00 N ATOM 693 CA GLY A 45 -2.913 -10.163 -6.380 1.00 0.00 C ATOM 694 C GLY A 45 -2.013 -9.559 -7.439 1.00 0.00 C ATOM 695 O GLY A 45 -2.014 -9.998 -8.590 1.00 0.00 O ATOM 0 H GLY A 45 -1.865 -9.556 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.670 -11.219 -6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.949 -10.110 -6.715 1.00 0.00 H new ATOM 699 N LEU A 46 -1.244 -8.547 -7.052 1.00 0.00 N ATOM 700 CA LEU A 46 -0.335 -7.879 -7.978 1.00 0.00 C ATOM 701 C LEU A 46 1.028 -8.564 -7.992 1.00 0.00 C ATOM 702 O LEU A 46 1.455 -9.172 -7.010 1.00 0.00 O ATOM 703 CB LEU A 46 -0.175 -6.408 -7.593 1.00 0.00 C ATOM 704 CG LEU A 46 -1.455 -5.571 -7.592 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.358 -4.449 -6.570 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.727 -5.009 -8.980 1.00 0.00 C ATOM 0 H LEU A 46 -1.232 -8.171 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.763 -7.942 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.268 -6.360 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.535 -5.948 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.288 -6.217 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.278 -3.864 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.212 -4.873 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.514 -3.804 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.642 -4.416 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.893 -4.378 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.842 -5.829 -9.689 1.00 0.00 H new ATOM 718 N PRO A 47 1.729 -8.463 -9.131 1.00 0.00 N ATOM 719 CA PRO A 47 3.055 -9.065 -9.300 1.00 0.00 C ATOM 720 C PRO A 47 4.121 -8.361 -8.466 1.00 0.00 C ATOM 721 O PRO A 47 3.843 -7.364 -7.802 1.00 0.00 O ATOM 722 CB PRO A 47 3.339 -8.884 -10.793 1.00 0.00 C ATOM 723 CG PRO A 47 2.519 -7.707 -11.195 1.00 0.00 C ATOM 724 CD PRO A 47 1.282 -7.754 -10.341 1.00 0.00 C ATOM 0 HA PRO A 47 3.076 -10.104 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.399 -8.709 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.060 -9.773 -11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.067 -6.778 -11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.264 -7.752 -12.254 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.916 -6.754 -10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.470 -8.283 -10.839 1.00 0.00 H new ATOM 732 N GLN A 48 5.340 -8.888 -8.507 1.00 0.00 N ATOM 733 CA GLN A 48 6.447 -8.310 -7.754 1.00 0.00 C ATOM 734 C GLN A 48 6.998 -7.074 -8.459 1.00 0.00 C ATOM 735 O GLN A 48 7.482 -6.143 -7.815 1.00 0.00 O ATOM 736 CB GLN A 48 7.560 -9.343 -7.567 1.00 0.00 C ATOM 737 CG GLN A 48 7.311 -10.302 -6.414 1.00 0.00 C ATOM 738 CD GLN A 48 8.511 -11.180 -6.117 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.272 -11.537 -7.017 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.686 -11.534 -4.849 1.00 0.00 N ATOM 0 H GLN A 48 5.586 -9.714 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 48 6.071 -8.011 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.671 -9.916 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.503 -8.823 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.053 -9.732 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.453 -10.932 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.031 -11.215 -4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.476 -12.125 -4.589 1.00 0.00 H new ATOM 749 N LYS A 49 6.922 -7.073 -9.786 1.00 0.00 N ATOM 750 CA LYS A 49 7.411 -5.952 -10.579 1.00 0.00 C ATOM 751 C LYS A 49 6.534 -4.720 -10.381 1.00 0.00 C ATOM 752 O LYS A 49 7.033 -3.600 -10.273 1.00 0.00 O ATOM 753 CB LYS A 49 7.452 -6.329 -12.062 1.00 0.00 C ATOM 754 CG LYS A 49 6.111 -6.787 -12.610 1.00 0.00 C ATOM 755 CD LYS A 49 6.276 -7.575 -13.899 1.00 0.00 C ATOM 756 CE LYS A 49 6.516 -9.051 -13.623 1.00 0.00 C ATOM 757 NZ LYS A 49 6.086 -9.906 -14.764 1.00 0.00 N ATOM 0 H LYS A 49 6.526 -7.836 -10.334 1.00 0.00 H new ATOM 0 HA LYS A 49 8.420 -5.715 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.796 -5.470 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.185 -7.123 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.605 -7.404 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.475 -5.920 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.384 -7.459 -14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.112 -7.170 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.575 -9.216 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.974 -9.345 -12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.266 -10.905 -14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.070 -9.768 -14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.621 -9.643 -15.616 1.00 0.00 H new ATOM 771 N VAL A 50 5.223 -4.935 -10.333 1.00 0.00 N ATOM 772 CA VAL A 50 4.275 -3.843 -10.145 1.00 0.00 C ATOM 773 C VAL A 50 4.418 -3.224 -8.758 1.00 0.00 C ATOM 774 O VAL A 50 4.559 -2.009 -8.621 1.00 0.00 O ATOM 775 CB VAL A 50 2.823 -4.320 -10.335 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.847 -3.296 -9.777 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.541 -4.592 -11.805 1.00 0.00 C ATOM 0 H VAL A 50 4.793 -5.856 -10.422 1.00 0.00 H new ATOM 0 HA VAL A 50 4.504 -3.092 -10.901 1.00 0.00 H new ATOM 0 HB VAL A 50 2.689 -5.251 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.826 -3.650 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.036 -3.155 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.978 -2.347 -10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.511 -4.928 -11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.692 -3.678 -12.380 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.218 -5.365 -12.168 1.00 0.00 H new ATOM 787 N ILE A 51 4.379 -4.069 -7.733 1.00 0.00 N ATOM 788 CA ILE A 51 4.506 -3.605 -6.357 1.00 0.00 C ATOM 789 C ILE A 51 5.824 -2.869 -6.144 1.00 0.00 C ATOM 790 O ILE A 51 5.840 -1.707 -5.735 1.00 0.00 O ATOM 791 CB ILE A 51 4.417 -4.775 -5.359 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.083 -5.508 -5.516 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.585 -4.269 -3.934 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.076 -6.889 -4.899 1.00 0.00 C ATOM 0 H ILE A 51 4.261 -5.078 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 51 3.678 -2.920 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 51 5.223 -5.477 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.294 -4.911 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.846 -5.592 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.520 -5.107 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.558 -3.788 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.798 -3.549 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.099 -7.349 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.842 -7.503 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.281 -6.812 -3.831 1.00 0.00 H new ATOM 806 N LYS A 52 6.929 -3.551 -6.425 1.00 0.00 N ATOM 807 CA LYS A 52 8.253 -2.962 -6.268 1.00 0.00 C ATOM 808 C LYS A 52 8.350 -1.634 -7.014 1.00 0.00 C ATOM 809 O LYS A 52 8.755 -0.620 -6.445 1.00 0.00 O ATOM 810 CB LYS A 52 9.326 -3.925 -6.779 1.00 0.00 C ATOM 811 CG LYS A 52 9.685 -5.018 -5.787 1.00 0.00 C ATOM 812 CD LYS A 52 10.697 -5.990 -6.370 1.00 0.00 C ATOM 813 CE LYS A 52 12.120 -5.479 -6.204 1.00 0.00 C ATOM 814 NZ LYS A 52 13.025 -6.005 -7.264 1.00 0.00 N ATOM 0 H LYS A 52 6.934 -4.513 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 52 8.416 -2.775 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.978 -4.385 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.224 -3.358 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.091 -4.569 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.784 -5.559 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.597 -6.958 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.486 -6.145 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.120 -4.389 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.499 -5.771 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.985 -5.634 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.045 -7.044 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.678 -5.705 -8.197 1.00 0.00 H new ATOM 828 N HIS A 53 7.975 -1.648 -8.289 1.00 0.00 N ATOM 829 CA HIS A 53 8.018 -0.444 -9.111 1.00 0.00 C ATOM 830 C HIS A 53 7.197 0.675 -8.479 1.00 0.00 C ATOM 831 O HIS A 53 7.647 1.818 -8.399 1.00 0.00 O ATOM 832 CB HIS A 53 7.497 -0.743 -10.517 1.00 0.00 C ATOM 833 CG HIS A 53 8.527 -1.345 -11.422 1.00 0.00 C ATOM 834 ND1 HIS A 53 8.283 -2.450 -12.210 1.00 0.00 N ATOM 835 CD2 HIS A 53 9.811 -0.990 -11.663 1.00 0.00 C ATOM 836 CE1 HIS A 53 9.372 -2.749 -12.896 1.00 0.00 C ATOM 837 NE2 HIS A 53 10.314 -1.878 -12.582 1.00 0.00 N ATOM 0 H HIS A 53 7.638 -2.479 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 53 9.055 -0.116 -9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.648 -1.422 -10.444 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.129 0.181 -10.963 1.00 0.00 H new ATOM 0 HD1 HIS A 53 7.399 -2.958 -12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.341 -0.162 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.474 -3.566 -13.594 1.00 0.00 H new ATOM 846 N TRP A 54 5.992 0.339 -8.033 1.00 0.00 N ATOM 847 CA TRP A 54 5.108 1.317 -7.408 1.00 0.00 C ATOM 848 C TRP A 54 5.801 2.010 -6.240 1.00 0.00 C ATOM 849 O TRP A 54 5.785 3.236 -6.135 1.00 0.00 O ATOM 850 CB TRP A 54 3.824 0.640 -6.926 1.00 0.00 C ATOM 851 CG TRP A 54 2.983 1.517 -6.049 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.942 2.309 -6.439 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.115 1.691 -4.634 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.418 2.966 -5.351 1.00 0.00 N ATOM 855 CE2 TRP A 54 2.119 2.603 -4.232 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.975 1.164 -3.667 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.964 2.998 -2.906 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.820 1.558 -2.351 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.820 2.467 -1.980 1.00 0.00 C ATOM 0 H TRP A 54 5.604 -0.603 -8.092 1.00 0.00 H new ATOM 0 HA TRP A 54 4.855 2.070 -8.155 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.236 0.334 -7.791 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.083 -0.267 -6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.583 2.405 -7.453 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.634 3.618 -5.374 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.747 0.461 -3.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.195 3.699 -2.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.481 1.158 -1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.723 2.754 -0.943 1.00 0.00 H new ATOM 870 N PHE A 55 6.411 1.217 -5.365 1.00 0.00 N ATOM 871 CA PHE A 55 7.109 1.755 -4.203 1.00 0.00 C ATOM 872 C PHE A 55 8.133 2.805 -4.623 1.00 0.00 C ATOM 873 O PHE A 55 8.336 3.802 -3.929 1.00 0.00 O ATOM 874 CB PHE A 55 7.803 0.630 -3.433 1.00 0.00 C ATOM 875 CG PHE A 55 6.941 0.013 -2.368 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.800 0.625 -1.132 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.273 -1.178 -2.602 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.008 0.060 -0.150 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.480 -1.747 -1.624 1.00 0.00 C ATOM 880 CZ PHE A 55 5.348 -1.128 -0.396 1.00 0.00 C ATOM 0 H PHE A 55 6.436 0.200 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 55 6.372 2.229 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.110 -0.145 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.711 1.021 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.315 1.554 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.373 -1.667 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.905 0.547 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.964 -2.675 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.730 -1.572 0.370 1.00 0.00 H new ATOM 890 N ARG A 56 8.776 2.574 -5.763 1.00 0.00 N ATOM 891 CA ARG A 56 9.780 3.498 -6.275 1.00 0.00 C ATOM 892 C ARG A 56 9.129 4.781 -6.784 1.00 0.00 C ATOM 893 O ARG A 56 9.540 5.883 -6.423 1.00 0.00 O ATOM 894 CB ARG A 56 10.584 2.841 -7.399 1.00 0.00 C ATOM 895 CG ARG A 56 11.965 3.444 -7.593 1.00 0.00 C ATOM 896 CD ARG A 56 12.757 2.694 -8.653 1.00 0.00 C ATOM 897 NE ARG A 56 12.508 3.216 -9.994 1.00 0.00 N ATOM 898 CZ ARG A 56 11.487 2.835 -10.753 1.00 0.00 C ATOM 899 NH1 ARG A 56 10.623 1.934 -10.305 1.00 0.00 N ATOM 900 NH2 ARG A 56 11.327 3.356 -11.963 1.00 0.00 N ATOM 0 H ARG A 56 8.619 1.754 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 56 10.454 3.752 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.688 1.777 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.026 2.926 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.869 4.491 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.508 3.423 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.821 2.765 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.494 1.637 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 56 13.154 3.911 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.742 1.532 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.840 1.643 -10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.989 4.050 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.542 3.063 -12.545 1.00 0.00 H new ATOM 914 N ASN A 57 8.112 4.629 -7.626 1.00 0.00 N ATOM 915 CA ASN A 57 7.404 5.775 -8.185 1.00 0.00 C ATOM 916 C ASN A 57 6.889 6.690 -7.078 1.00 0.00 C ATOM 917 O ASN A 57 6.944 7.915 -7.194 1.00 0.00 O ATOM 918 CB ASN A 57 6.239 5.305 -9.058 1.00 0.00 C ATOM 919 CG ASN A 57 5.273 6.427 -9.386 1.00 0.00 C ATOM 920 OD1 ASN A 57 4.128 6.427 -8.936 1.00 0.00 O ATOM 921 ND2 ASN A 57 5.733 7.391 -10.176 1.00 0.00 N ATOM 0 H ASN A 57 7.760 3.723 -7.936 1.00 0.00 H new ATOM 0 HA ASN A 57 8.105 6.339 -8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.630 4.883 -9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.703 4.506 -8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.129 8.172 -10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.690 7.350 -10.526 1.00 0.00 H new ATOM 928 N THR A 58 6.390 6.087 -6.004 1.00 0.00 N ATOM 929 CA THR A 58 5.864 6.846 -4.876 1.00 0.00 C ATOM 930 C THR A 58 6.989 7.326 -3.966 1.00 0.00 C ATOM 931 O THR A 58 6.986 8.471 -3.510 1.00 0.00 O ATOM 932 CB THR A 58 4.871 6.008 -4.049 1.00 0.00 C ATOM 933 OG1 THR A 58 3.957 6.870 -3.362 1.00 0.00 O ATOM 934 CG2 THR A 58 5.606 5.135 -3.043 1.00 0.00 C ATOM 0 H THR A 58 6.339 5.075 -5.891 1.00 0.00 H new ATOM 0 HA THR A 58 5.342 7.708 -5.290 1.00 0.00 H new ATOM 0 HB THR A 58 4.318 5.362 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.328 6.330 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.884 4.553 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.280 4.460 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.181 5.766 -2.366 1.00 0.00 H new ATOM 942 N LEU A 59 7.949 6.447 -3.704 1.00 0.00 N ATOM 943 CA LEU A 59 9.081 6.781 -2.848 1.00 0.00 C ATOM 944 C LEU A 59 9.932 7.881 -3.475 1.00 0.00 C ATOM 945 O LEU A 59 10.073 8.968 -2.914 1.00 0.00 O ATOM 946 CB LEU A 59 9.938 5.540 -2.593 1.00 0.00 C ATOM 947 CG LEU A 59 11.153 5.738 -1.686 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.772 5.523 -0.229 1.00 0.00 C ATOM 949 CD2 LEU A 59 12.278 4.796 -2.089 1.00 0.00 C ATOM 0 H LEU A 59 7.966 5.496 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 59 8.691 7.146 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.304 4.769 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.285 5.159 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 59 11.505 6.763 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.649 5.668 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.999 6.238 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.394 4.509 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.135 4.951 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.937 3.764 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.569 4.997 -3.120 1.00 0.00 H new ATOM 961 N PHE A 60 10.495 7.592 -4.644 1.00 0.00 N ATOM 962 CA PHE A 60 11.332 8.557 -5.349 1.00 0.00 C ATOM 963 C PHE A 60 10.811 9.977 -5.147 1.00 0.00 C ATOM 964 O PHE A 60 11.588 10.915 -4.966 1.00 0.00 O ATOM 965 CB PHE A 60 11.380 8.226 -6.842 1.00 0.00 C ATOM 966 CG PHE A 60 12.657 8.652 -7.509 1.00 0.00 C ATOM 967 CD1 PHE A 60 12.816 9.951 -7.963 1.00 0.00 C ATOM 968 CD2 PHE A 60 13.698 7.754 -7.681 1.00 0.00 C ATOM 969 CE1 PHE A 60 13.989 10.346 -8.578 1.00 0.00 C ATOM 970 CE2 PHE A 60 14.873 8.143 -8.294 1.00 0.00 C ATOM 971 CZ PHE A 60 15.020 9.441 -8.743 1.00 0.00 C ATOM 0 H PHE A 60 10.387 6.698 -5.123 1.00 0.00 H new ATOM 0 HA PHE A 60 12.340 8.497 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.252 7.151 -6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.540 8.710 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.014 10.663 -7.835 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.589 6.738 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.100 11.361 -8.929 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.676 7.433 -8.422 1.00 0.00 H new ATOM 0 HZ PHE A 60 15.938 9.748 -9.222 1.00 0.00 H new ATOM 981 N LYS A 61 9.492 10.127 -5.182 1.00 0.00 N ATOM 982 CA LYS A 61 8.865 11.432 -5.002 1.00 0.00 C ATOM 983 C LYS A 61 8.992 11.902 -3.557 1.00 0.00 C ATOM 984 O LYS A 61 9.364 13.046 -3.298 1.00 0.00 O ATOM 985 CB LYS A 61 7.389 11.371 -5.403 1.00 0.00 C ATOM 986 CG LYS A 61 6.670 12.702 -5.277 1.00 0.00 C ATOM 987 CD LYS A 61 5.243 12.616 -5.794 1.00 0.00 C ATOM 988 CE LYS A 61 4.344 13.643 -5.123 1.00 0.00 C ATOM 989 NZ LYS A 61 4.513 14.999 -5.715 1.00 0.00 N ATOM 0 H LYS A 61 8.835 9.361 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 61 9.380 12.147 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.315 11.024 -6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.882 10.633 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.661 13.015 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.214 13.465 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.236 12.774 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.850 11.615 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.304 13.332 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.569 13.681 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.883 15.670 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.500 15.307 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.274 14.968 -6.727 1.00 0.00 H new ATOM 1003 N GLU A 62 8.681 11.012 -2.620 1.00 0.00 N ATOM 1004 CA GLU A 62 8.761 11.338 -1.201 1.00 0.00 C ATOM 1005 C GLU A 62 10.107 11.972 -0.864 1.00 0.00 C ATOM 1006 O GLU A 62 10.187 12.886 -0.043 1.00 0.00 O ATOM 1007 CB GLU A 62 8.550 10.081 -0.354 1.00 0.00 C ATOM 1008 CG GLU A 62 7.164 9.474 -0.500 1.00 0.00 C ATOM 1009 CD GLU A 62 6.724 8.719 0.739 1.00 0.00 C ATOM 1010 OE1 GLU A 62 7.571 8.499 1.631 1.00 0.00 O ATOM 1011 OE2 GLU A 62 5.535 8.348 0.817 1.00 0.00 O ATOM 0 H GLU A 62 8.372 10.060 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 62 7.974 12.057 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.295 9.336 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.721 10.326 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.445 10.266 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.156 8.798 -1.355 1.00 0.00 H new ATOM 1018 N ARG A 63 11.163 11.479 -1.502 1.00 0.00 N ATOM 1019 CA ARG A 63 12.507 11.995 -1.269 1.00 0.00 C ATOM 1020 C ARG A 63 12.625 13.439 -1.746 1.00 0.00 C ATOM 1021 O ARG A 63 13.347 14.241 -1.154 1.00 0.00 O ATOM 1022 CB ARG A 63 13.542 11.124 -1.984 1.00 0.00 C ATOM 1023 CG ARG A 63 13.526 9.671 -1.541 1.00 0.00 C ATOM 1024 CD ARG A 63 14.872 9.003 -1.773 1.00 0.00 C ATOM 1025 NE ARG A 63 15.217 8.945 -3.191 1.00 0.00 N ATOM 1026 CZ ARG A 63 16.386 8.507 -3.646 1.00 0.00 C ATOM 1027 NH1 ARG A 63 17.316 8.090 -2.798 1.00 0.00 N ATOM 1028 NH2 ARG A 63 16.625 8.485 -4.951 1.00 0.00 N ATOM 0 H ARG A 63 11.114 10.723 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 63 12.698 11.968 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.363 11.169 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.535 11.537 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.268 9.615 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.752 9.132 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.646 9.550 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.851 7.993 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 63 14.522 9.258 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.135 8.105 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.213 7.754 -3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.911 8.804 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.523 8.149 -5.299 1.00 0.00 H new ATOM 1042 N GLN A 64 11.911 13.763 -2.820 1.00 0.00 N ATOM 1043 CA GLN A 64 11.937 15.110 -3.376 1.00 0.00 C ATOM 1044 C GLN A 64 10.779 15.944 -2.838 1.00 0.00 C ATOM 1045 O GLN A 64 9.800 15.405 -2.321 1.00 0.00 O ATOM 1046 CB GLN A 64 11.875 15.055 -4.904 1.00 0.00 C ATOM 1047 CG GLN A 64 10.459 14.978 -5.452 1.00 0.00 C ATOM 1048 CD GLN A 64 10.409 15.123 -6.961 1.00 0.00 C ATOM 1049 OE1 GLN A 64 11.186 14.496 -7.682 1.00 0.00 O ATOM 1050 NE2 GLN A 64 9.493 15.952 -7.446 1.00 0.00 N ATOM 0 H GLN A 64 11.308 13.111 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 64 12.872 15.582 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.366 15.939 -5.311 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.438 14.189 -5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.015 14.024 -5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.853 15.761 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.870 16.451 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.412 16.090 -8.453 1.00 0.00 H new ATOM 1059 N SER A 65 10.896 17.262 -2.963 1.00 0.00 N ATOM 1060 CA SER A 65 9.861 18.171 -2.485 1.00 0.00 C ATOM 1061 C SER A 65 10.063 19.572 -3.055 1.00 0.00 C ATOM 1062 O SER A 65 11.078 20.217 -2.800 1.00 0.00 O ATOM 1063 CB SER A 65 9.865 18.224 -0.957 1.00 0.00 C ATOM 1064 OG SER A 65 11.081 18.764 -0.469 1.00 0.00 O ATOM 0 H SER A 65 11.698 17.724 -3.392 1.00 0.00 H new ATOM 0 HA SER A 65 8.896 17.795 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.029 18.830 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.721 17.221 -0.555 1.00 0.00 H new ATOM 0 HG SER A 65 11.491 19.324 -1.161 1.00 0.00 H new ATOM 1070 N GLY A 66 9.086 20.036 -3.829 1.00 0.00 N ATOM 1071 CA GLY A 66 9.174 21.356 -4.423 1.00 0.00 C ATOM 1072 C GLY A 66 8.193 21.546 -5.563 1.00 0.00 C ATOM 1073 O GLY A 66 7.867 20.609 -6.292 1.00 0.00 O ATOM 0 H GLY A 66 8.235 19.520 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.986 22.109 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.188 21.519 -4.789 1.00 0.00 H new ATOM 1077 N PRO A 67 7.704 22.784 -5.728 1.00 0.00 N ATOM 1078 CA PRO A 67 6.746 23.122 -6.785 1.00 0.00 C ATOM 1079 C PRO A 67 7.375 23.080 -8.173 1.00 0.00 C ATOM 1080 O PRO A 67 6.702 23.311 -9.178 1.00 0.00 O ATOM 1081 CB PRO A 67 6.320 24.550 -6.434 1.00 0.00 C ATOM 1082 CG PRO A 67 7.463 25.106 -5.657 1.00 0.00 C ATOM 1083 CD PRO A 67 8.049 23.949 -4.896 1.00 0.00 C ATOM 0 HA PRO A 67 5.919 22.414 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.128 25.138 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.402 24.556 -5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.204 25.553 -6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.128 25.890 -4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.127 24.052 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.623 23.869 -3.896 1.00 0.00 H new ATOM 1091 N SER A 68 8.670 22.784 -8.222 1.00 0.00 N ATOM 1092 CA SER A 68 9.391 22.714 -9.488 1.00 0.00 C ATOM 1093 C SER A 68 8.643 21.843 -10.492 1.00 0.00 C ATOM 1094 O SER A 68 8.833 20.628 -10.539 1.00 0.00 O ATOM 1095 CB SER A 68 10.801 22.162 -9.266 1.00 0.00 C ATOM 1096 OG SER A 68 11.484 22.895 -8.264 1.00 0.00 O ATOM 0 H SER A 68 9.241 22.589 -7.400 1.00 0.00 H new ATOM 0 HA SER A 68 9.463 23.723 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.743 21.113 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.363 22.205 -10.199 1.00 0.00 H new ATOM 0 HG SER A 68 12.382 22.522 -8.140 1.00 0.00 H new ATOM 1102 N SER A 69 7.792 22.473 -11.295 1.00 0.00 N ATOM 1103 CA SER A 69 7.012 21.756 -12.296 1.00 0.00 C ATOM 1104 C SER A 69 7.518 22.064 -13.702 1.00 0.00 C ATOM 1105 O SER A 69 8.346 22.953 -13.895 1.00 0.00 O ATOM 1106 CB SER A 69 5.532 22.127 -12.183 1.00 0.00 C ATOM 1107 OG SER A 69 4.809 21.697 -13.323 1.00 0.00 O ATOM 0 H SER A 69 7.625 23.479 -11.272 1.00 0.00 H new ATOM 0 HA SER A 69 7.127 20.688 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.108 21.673 -11.287 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.432 23.207 -12.071 1.00 0.00 H new ATOM 0 HG SER A 69 3.866 21.945 -13.225 1.00 0.00 H new ATOM 1113 N GLY A 70 7.014 21.320 -14.682 1.00 0.00 N ATOM 1114 CA GLY A 70 7.426 21.527 -16.058 1.00 0.00 C ATOM 1115 C GLY A 70 6.430 22.356 -16.843 1.00 0.00 C ATOM 1116 O GLY A 70 5.471 21.823 -17.402 1.00 0.00 O ATOM 0 H GLY A 70 6.328 20.578 -14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.397 22.022 -16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.553 20.560 -16.545 1.00 0.00 H new TER 1120 GLY A 70