USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 419 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 ALA N :NH3+ 130:sc= 0.0415 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.4! C(o=-1.4!,f=-1.8!) USER MOD Single : A 30 ASN : amide:sc= -4.1! C(o=-4.1!,f=-5.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -106:sc= -0.583 (180deg=-1.62!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.665 (180deg=0.665) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.199 -4.843 -11.914 1.00 0.00 N ATOM 2 CA ALA A 1 19.019 -3.364 -11.922 1.00 0.00 C ATOM 3 C ALA A 1 18.599 -2.894 -10.528 1.00 0.00 C ATOM 4 O ALA A 1 17.930 -3.599 -9.800 1.00 0.00 O ATOM 5 CB ALA A 1 17.936 -2.987 -12.934 1.00 0.00 C ATOM 0 H1 ALA A 1 18.676 -5.261 -12.710 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.210 -5.070 -12.007 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.837 -5.232 -11.020 1.00 0.00 H new ATOM 0 HA ALA A 1 19.958 -2.886 -12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.804 -1.905 -12.940 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.234 -3.322 -13.928 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.997 -3.465 -12.657 1.00 0.00 H new ATOM 13 N GLN A 2 18.987 -1.708 -10.153 1.00 0.00 N ATOM 14 CA GLN A 2 18.611 -1.190 -8.808 1.00 0.00 C ATOM 15 C GLN A 2 17.800 0.098 -8.964 1.00 0.00 C ATOM 16 O GLN A 2 17.383 0.701 -7.994 1.00 0.00 O ATOM 17 CB GLN A 2 19.881 -0.898 -8.008 1.00 0.00 C ATOM 18 CG GLN A 2 20.708 0.158 -8.743 1.00 0.00 C ATOM 19 CD GLN A 2 22.094 0.256 -8.104 1.00 0.00 C ATOM 20 OE1 GLN A 2 23.094 0.060 -8.765 1.00 0.00 O ATOM 21 NE2 GLN A 2 22.195 0.553 -6.837 1.00 0.00 N ATOM 0 H GLN A 2 19.549 -1.074 -10.720 1.00 0.00 H new ATOM 0 HA GLN A 2 18.010 -1.934 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 2 19.623 -0.545 -7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 2 20.464 -1.811 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 2 20.799 -0.105 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 2 20.206 1.124 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.354 0.717 -6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.115 0.621 -6.401 1.00 0.00 H new ATOM 30 N GLU A 3 17.571 0.528 -10.176 1.00 0.00 N ATOM 31 CA GLU A 3 16.788 1.779 -10.389 1.00 0.00 C ATOM 32 C GLU A 3 15.421 1.432 -10.991 1.00 0.00 C ATOM 33 O GLU A 3 15.309 1.229 -12.184 1.00 0.00 O ATOM 34 CB GLU A 3 17.548 2.695 -11.350 1.00 0.00 C ATOM 35 CG GLU A 3 17.671 4.091 -10.735 1.00 0.00 C ATOM 36 CD GLU A 3 18.978 4.190 -9.948 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.891 3.444 -10.260 1.00 0.00 O ATOM 38 OE2 GLU A 3 19.045 5.010 -9.047 1.00 0.00 O ATOM 0 H GLU A 3 17.892 0.067 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 3 16.646 2.286 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.538 2.287 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.026 2.751 -12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.648 4.848 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.823 4.286 -10.078 1.00 0.00 H new ATOM 45 N PRO A 4 14.419 1.375 -10.148 1.00 0.00 N ATOM 46 CA PRO A 4 13.045 1.055 -10.575 1.00 0.00 C ATOM 47 C PRO A 4 12.395 2.271 -11.245 1.00 0.00 C ATOM 48 O PRO A 4 12.852 3.388 -11.103 1.00 0.00 O ATOM 49 CB PRO A 4 12.333 0.706 -9.264 1.00 0.00 C ATOM 50 CG PRO A 4 13.149 1.377 -8.135 1.00 0.00 C ATOM 51 CD PRO A 4 14.560 1.623 -8.698 1.00 0.00 C ATOM 0 HA PRO A 4 13.000 0.248 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.306 1.070 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.287 -0.374 -9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.686 2.314 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.190 0.737 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.897 2.640 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.291 0.951 -8.248 1.00 0.00 H new ATOM 59 N VAL A 5 11.334 2.059 -11.974 1.00 0.00 N ATOM 60 CA VAL A 5 10.654 3.196 -12.656 1.00 0.00 C ATOM 61 C VAL A 5 9.138 3.065 -12.460 1.00 0.00 C ATOM 62 O VAL A 5 8.671 2.197 -11.750 1.00 0.00 O ATOM 63 CB VAL A 5 11.004 3.171 -14.151 1.00 0.00 C ATOM 64 CG1 VAL A 5 10.113 2.163 -14.885 1.00 0.00 C ATOM 65 CG2 VAL A 5 10.792 4.563 -14.751 1.00 0.00 C ATOM 0 H VAL A 5 10.908 1.145 -12.127 1.00 0.00 H new ATOM 0 HA VAL A 5 10.987 4.143 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 5 12.047 2.876 -14.264 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.370 2.154 -15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.267 1.169 -14.466 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.068 2.449 -14.768 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.041 4.544 -15.812 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.750 4.857 -14.628 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.434 5.281 -14.241 1.00 0.00 H new ATOM 75 N LYS A 6 8.367 3.913 -13.083 1.00 0.00 N ATOM 76 CA LYS A 6 6.889 3.823 -12.929 1.00 0.00 C ATOM 77 C LYS A 6 6.282 3.213 -14.193 1.00 0.00 C ATOM 78 O LYS A 6 6.806 3.359 -15.280 1.00 0.00 O ATOM 79 CB LYS A 6 6.311 5.221 -12.707 1.00 0.00 C ATOM 80 CG LYS A 6 5.502 5.235 -11.410 1.00 0.00 C ATOM 81 CD LYS A 6 4.356 6.238 -11.536 1.00 0.00 C ATOM 82 CE LYS A 6 4.928 7.635 -11.779 1.00 0.00 C ATOM 83 NZ LYS A 6 5.118 8.328 -10.473 1.00 0.00 N ATOM 0 H LYS A 6 8.696 4.663 -13.691 1.00 0.00 H new ATOM 0 HA LYS A 6 6.651 3.194 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.115 5.955 -12.655 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.677 5.502 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.108 4.240 -11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.144 5.504 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.699 5.954 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.752 6.233 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.879 7.563 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.254 8.210 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.507 9.278 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.202 8.408 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.777 7.782 -9.883 1.00 0.00 H new ATOM 97 N GLY A 7 5.179 2.528 -14.058 1.00 0.00 N ATOM 98 CA GLY A 7 4.534 1.902 -15.248 1.00 0.00 C ATOM 99 C GLY A 7 3.561 0.814 -14.784 1.00 0.00 C ATOM 100 O GLY A 7 2.389 0.854 -15.103 1.00 0.00 O ATOM 0 H GLY A 7 4.696 2.374 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.003 2.657 -15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.292 1.472 -15.903 1.00 0.00 H new ATOM 104 N PRO A 8 4.082 -0.127 -14.037 1.00 0.00 N ATOM 105 CA PRO A 8 3.288 -1.247 -13.501 1.00 0.00 C ATOM 106 C PRO A 8 2.471 -0.786 -12.289 1.00 0.00 C ATOM 107 O PRO A 8 2.339 0.393 -12.030 1.00 0.00 O ATOM 108 CB PRO A 8 4.346 -2.271 -13.087 1.00 0.00 C ATOM 109 CG PRO A 8 5.658 -1.477 -12.874 1.00 0.00 C ATOM 110 CD PRO A 8 5.509 -0.161 -13.659 1.00 0.00 C ATOM 0 HA PRO A 8 2.572 -1.649 -14.218 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.051 -2.787 -12.173 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.473 -3.032 -13.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.824 -1.280 -11.815 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.517 -2.045 -13.230 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.780 0.700 -13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.155 -0.145 -14.537 1.00 0.00 H new ATOM 118 N VAL A 9 1.919 -1.706 -11.546 1.00 0.00 N ATOM 119 CA VAL A 9 1.115 -1.317 -10.359 1.00 0.00 C ATOM 120 C VAL A 9 1.490 -2.206 -9.169 1.00 0.00 C ATOM 121 O VAL A 9 0.679 -2.474 -8.305 1.00 0.00 O ATOM 122 CB VAL A 9 -0.373 -1.487 -10.670 1.00 0.00 C ATOM 123 CG1 VAL A 9 -0.949 -0.153 -11.155 1.00 0.00 C ATOM 124 CG2 VAL A 9 -0.564 -2.544 -11.765 1.00 0.00 C ATOM 0 H VAL A 9 1.992 -2.710 -11.712 1.00 0.00 H new ATOM 0 HA VAL A 9 1.319 -0.275 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.890 -1.807 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.009 -0.274 -11.377 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.824 0.601 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.424 0.164 -12.056 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.627 -2.658 -11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.043 -2.229 -12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.158 -3.497 -11.426 1.00 0.00 H new ATOM 134 N SER A 10 2.712 -2.662 -9.118 1.00 0.00 N ATOM 135 CA SER A 10 3.134 -3.532 -7.982 1.00 0.00 C ATOM 136 C SER A 10 4.563 -3.172 -7.570 1.00 0.00 C ATOM 137 O SER A 10 5.495 -3.917 -7.804 1.00 0.00 O ATOM 138 CB SER A 10 3.082 -4.998 -8.413 1.00 0.00 C ATOM 139 OG SER A 10 1.873 -5.581 -7.945 1.00 0.00 O ATOM 0 H SER A 10 3.435 -2.471 -9.812 1.00 0.00 H new ATOM 0 HA SER A 10 2.461 -3.379 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.139 -5.072 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.939 -5.538 -8.011 1.00 0.00 H new ATOM 0 HG SER A 10 1.835 -6.521 -8.221 1.00 0.00 H new ATOM 145 N THR A 11 4.744 -2.033 -6.959 1.00 0.00 N ATOM 146 CA THR A 11 6.111 -1.621 -6.534 1.00 0.00 C ATOM 147 C THR A 11 6.000 -0.692 -5.322 1.00 0.00 C ATOM 148 O THR A 11 4.958 -0.126 -5.059 1.00 0.00 O ATOM 149 CB THR A 11 6.796 -0.886 -7.688 1.00 0.00 C ATOM 150 OG1 THR A 11 8.051 -0.383 -7.251 1.00 0.00 O ATOM 151 CG2 THR A 11 5.911 0.270 -8.156 1.00 0.00 C ATOM 0 H THR A 11 4.002 -1.369 -6.736 1.00 0.00 H new ATOM 0 HA THR A 11 6.699 -2.499 -6.265 1.00 0.00 H new ATOM 0 HB THR A 11 6.953 -1.576 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.491 0.086 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.400 0.793 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.951 -0.120 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.750 0.963 -7.330 1.00 0.00 H new ATOM 159 N LYS A 12 7.059 -0.534 -4.573 1.00 0.00 N ATOM 160 CA LYS A 12 6.990 0.356 -3.378 1.00 0.00 C ATOM 161 C LYS A 12 8.290 1.158 -3.237 1.00 0.00 C ATOM 162 O LYS A 12 8.981 1.038 -2.245 1.00 0.00 O ATOM 163 CB LYS A 12 6.792 -0.498 -2.125 1.00 0.00 C ATOM 164 CG LYS A 12 7.613 -1.783 -2.247 1.00 0.00 C ATOM 165 CD LYS A 12 6.691 -2.950 -2.611 1.00 0.00 C ATOM 166 CE LYS A 12 7.327 -3.775 -3.731 1.00 0.00 C ATOM 167 NZ LYS A 12 8.467 -4.563 -3.181 1.00 0.00 N ATOM 0 H LYS A 12 7.962 -0.979 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 12 6.155 1.047 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.099 0.059 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.736 -0.739 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.383 -1.663 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.125 -1.990 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.519 -3.577 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.719 -2.573 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.587 -4.444 -4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.676 -3.118 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.900 -5.124 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.176 -3.915 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.121 -5.200 -2.435 1.00 0.00 H new ATOM 181 N PRO A 13 8.580 1.959 -4.230 1.00 0.00 N ATOM 182 CA PRO A 13 9.789 2.801 -4.241 1.00 0.00 C ATOM 183 C PRO A 13 9.565 4.083 -3.430 1.00 0.00 C ATOM 184 O PRO A 13 10.438 4.538 -2.716 1.00 0.00 O ATOM 185 CB PRO A 13 9.972 3.137 -5.722 1.00 0.00 C ATOM 186 CG PRO A 13 8.582 2.969 -6.386 1.00 0.00 C ATOM 187 CD PRO A 13 7.740 2.093 -5.438 1.00 0.00 C ATOM 0 HA PRO A 13 10.654 2.306 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.341 4.155 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.705 2.474 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.108 3.938 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.675 2.500 -7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.783 2.561 -5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.522 1.122 -5.882 1.00 0.00 H new ATOM 195 N GLY A 14 8.408 4.675 -3.551 1.00 0.00 N ATOM 196 CA GLY A 14 8.128 5.940 -2.810 1.00 0.00 C ATOM 197 C GLY A 14 8.281 5.736 -1.304 1.00 0.00 C ATOM 198 O GLY A 14 9.304 6.052 -0.730 1.00 0.00 O ATOM 0 H GLY A 14 7.642 4.337 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.810 6.721 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.117 6.281 -3.034 1.00 0.00 H new ATOM 202 N SER A 15 7.262 5.249 -0.646 1.00 0.00 N ATOM 203 CA SER A 15 7.360 5.079 0.825 1.00 0.00 C ATOM 204 C SER A 15 6.294 4.099 1.333 1.00 0.00 C ATOM 205 O SER A 15 5.321 4.499 1.938 1.00 0.00 O ATOM 206 CB SER A 15 7.127 6.443 1.465 1.00 0.00 C ATOM 207 OG SER A 15 7.487 6.392 2.839 1.00 0.00 O ATOM 0 H SER A 15 6.375 4.965 -1.063 1.00 0.00 H new ATOM 0 HA SER A 15 8.341 4.681 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.717 7.202 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.080 6.730 1.363 1.00 0.00 H new ATOM 0 HG SER A 15 7.338 7.270 3.249 1.00 0.00 H new ATOM 213 N CYS A 16 6.461 2.823 1.121 1.00 0.00 N ATOM 214 CA CYS A 16 5.447 1.863 1.629 1.00 0.00 C ATOM 215 C CYS A 16 5.891 1.369 3.010 1.00 0.00 C ATOM 216 O CYS A 16 7.070 1.223 3.262 1.00 0.00 O ATOM 217 CB CYS A 16 5.326 0.677 0.672 1.00 0.00 C ATOM 218 SG CYS A 16 4.356 1.136 -0.795 1.00 0.00 S ATOM 0 H CYS A 16 7.248 2.408 0.623 1.00 0.00 H new ATOM 0 HA CYS A 16 4.477 2.354 1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.319 0.344 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.851 -0.161 1.181 1.00 0.00 H new ATOM 223 N PRO A 17 4.931 1.139 3.868 1.00 0.00 N ATOM 224 CA PRO A 17 5.190 0.674 5.242 1.00 0.00 C ATOM 225 C PRO A 17 5.504 -0.825 5.253 1.00 0.00 C ATOM 226 O PRO A 17 5.789 -1.417 4.231 1.00 0.00 O ATOM 227 CB PRO A 17 3.870 0.957 5.967 1.00 0.00 C ATOM 228 CG PRO A 17 2.776 1.026 4.874 1.00 0.00 C ATOM 229 CD PRO A 17 3.499 1.315 3.547 1.00 0.00 C ATOM 0 HA PRO A 17 6.045 1.166 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.648 0.172 6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.925 1.894 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.224 0.088 4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.052 1.809 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.180 0.629 2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.292 2.325 3.192 1.00 0.00 H new ATOM 237 N ILE A 18 5.428 -1.447 6.398 1.00 0.00 N ATOM 238 CA ILE A 18 5.691 -2.909 6.472 1.00 0.00 C ATOM 239 C ILE A 18 4.381 -3.601 6.140 1.00 0.00 C ATOM 240 O ILE A 18 3.343 -3.228 6.645 1.00 0.00 O ATOM 241 CB ILE A 18 6.145 -3.280 7.885 1.00 0.00 C ATOM 242 CG1 ILE A 18 6.413 -4.784 7.954 1.00 0.00 C ATOM 243 CG2 ILE A 18 5.053 -2.912 8.890 1.00 0.00 C ATOM 244 CD1 ILE A 18 7.562 -5.136 7.009 1.00 0.00 C ATOM 0 H ILE A 18 5.194 -1.003 7.286 1.00 0.00 H new ATOM 0 HA ILE A 18 6.477 -3.210 5.779 1.00 0.00 H new ATOM 0 HB ILE A 18 7.057 -2.734 8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.664 -5.074 8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.516 -5.338 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.379 -3.178 9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.861 -1.840 8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.139 -3.456 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.756 -6.208 7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.292 -4.860 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.458 -4.592 7.307 1.00 0.00 H new ATOM 256 N ILE A 19 4.382 -4.561 5.264 1.00 0.00 N ATOM 257 CA ILE A 19 3.079 -5.170 4.913 1.00 0.00 C ATOM 258 C ILE A 19 3.120 -6.679 4.828 1.00 0.00 C ATOM 259 O ILE A 19 3.699 -7.269 3.938 1.00 0.00 O ATOM 260 CB ILE A 19 2.615 -4.598 3.582 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.270 -3.126 3.783 1.00 0.00 C ATOM 262 CG2 ILE A 19 1.376 -5.356 3.102 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.189 -3.010 4.860 1.00 0.00 C ATOM 0 H ILE A 19 5.202 -4.940 4.790 1.00 0.00 H new ATOM 0 HA ILE A 19 2.383 -4.926 5.716 1.00 0.00 H new ATOM 0 HB ILE A 19 3.403 -4.699 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.158 -2.568 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.918 -2.691 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.045 -4.945 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.620 -6.411 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.579 -5.253 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.936 -1.960 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.300 -3.556 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.560 -3.431 5.794 1.00 0.00 H new ATOM 275 N LEU A 20 2.411 -7.291 5.722 1.00 0.00 N ATOM 276 CA LEU A 20 2.271 -8.753 5.696 1.00 0.00 C ATOM 277 C LEU A 20 0.894 -8.993 5.093 1.00 0.00 C ATOM 278 O LEU A 20 -0.111 -8.738 5.708 1.00 0.00 O ATOM 279 CB LEU A 20 2.394 -9.328 7.124 1.00 0.00 C ATOM 280 CG LEU A 20 1.026 -9.476 7.811 1.00 0.00 C ATOM 281 CD1 LEU A 20 1.191 -10.263 9.109 1.00 0.00 C ATOM 282 CD2 LEU A 20 0.439 -8.095 8.125 1.00 0.00 C ATOM 0 H LEU A 20 1.915 -6.826 6.482 1.00 0.00 H new ATOM 0 HA LEU A 20 3.048 -9.249 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.884 -10.301 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.031 -8.676 7.723 1.00 0.00 H new ATOM 0 HG LEU A 20 0.349 -10.006 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.222 -10.368 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.595 -11.251 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.875 -9.732 9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.529 -8.213 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.114 -7.555 8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.314 -7.534 7.199 1.00 0.00 H new ATOM 294 N ILE A 21 0.832 -9.396 3.866 1.00 0.00 N ATOM 295 CA ILE A 21 -0.499 -9.561 3.229 1.00 0.00 C ATOM 296 C ILE A 21 -1.163 -10.833 3.745 1.00 0.00 C ATOM 297 O ILE A 21 -1.147 -11.865 3.108 1.00 0.00 O ATOM 298 CB ILE A 21 -0.338 -9.604 1.709 1.00 0.00 C ATOM 299 CG1 ILE A 21 -1.711 -9.490 1.038 1.00 0.00 C ATOM 300 CG2 ILE A 21 0.352 -10.902 1.278 1.00 0.00 C ATOM 301 CD1 ILE A 21 -2.511 -10.776 1.249 1.00 0.00 C ATOM 0 H ILE A 21 1.635 -9.618 3.277 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.137 -8.715 3.484 1.00 0.00 H new ATOM 0 HB ILE A 21 0.283 -8.764 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.257 -8.642 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.588 -9.301 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.458 -10.915 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.338 -10.961 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.248 -11.755 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.484 -10.682 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.970 -11.616 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.649 -10.947 2.317 1.00 0.00 H new ATOM 313 N ARG A 22 -1.745 -10.755 4.918 1.00 0.00 N ATOM 314 CA ARG A 22 -2.403 -11.948 5.507 1.00 0.00 C ATOM 315 C ARG A 22 -3.778 -11.592 6.068 1.00 0.00 C ATOM 316 O ARG A 22 -4.416 -12.416 6.690 1.00 0.00 O ATOM 317 CB ARG A 22 -1.529 -12.488 6.636 1.00 0.00 C ATOM 318 CG ARG A 22 -0.059 -12.439 6.220 1.00 0.00 C ATOM 319 CD ARG A 22 0.115 -13.140 4.874 1.00 0.00 C ATOM 320 NE ARG A 22 0.971 -14.367 5.002 1.00 0.00 N ATOM 321 CZ ARG A 22 1.193 -14.916 6.168 1.00 0.00 C ATOM 322 NH1 ARG A 22 0.193 -15.340 6.893 1.00 0.00 N ATOM 323 NH2 ARG A 22 2.415 -15.033 6.612 1.00 0.00 N ATOM 0 H ARG A 22 -1.789 -9.911 5.489 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.530 -12.699 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.681 -11.898 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.816 -13.513 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.275 -11.404 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.560 -12.922 6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.862 -13.416 4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.567 -12.452 4.159 1.00 0.00 H new ATOM 0 HE ARG A 22 1.386 -14.779 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.763 -15.243 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.368 -15.768 7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.196 -14.696 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.588 -15.461 7.521 1.00 0.00 H new ATOM 337 N CYS A 23 -4.226 -10.379 5.852 1.00 0.00 N ATOM 338 CA CYS A 23 -5.574 -9.940 6.359 1.00 0.00 C ATOM 339 C CYS A 23 -6.466 -11.139 6.704 1.00 0.00 C ATOM 340 O CYS A 23 -6.604 -12.060 5.925 1.00 0.00 O ATOM 341 CB CYS A 23 -6.273 -9.125 5.270 1.00 0.00 C ATOM 342 SG CYS A 23 -6.768 -10.219 3.914 1.00 0.00 S ATOM 0 H CYS A 23 -3.712 -9.662 5.340 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.417 -9.348 7.261 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.148 -8.623 5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.605 -8.348 4.898 1.00 0.00 H new ATOM 347 N ALA A 24 -7.088 -11.127 7.851 1.00 0.00 N ATOM 348 CA ALA A 24 -7.993 -12.255 8.214 1.00 0.00 C ATOM 349 C ALA A 24 -9.369 -11.923 7.666 1.00 0.00 C ATOM 350 O ALA A 24 -10.336 -11.791 8.390 1.00 0.00 O ATOM 351 CB ALA A 24 -8.058 -12.413 9.736 1.00 0.00 C ATOM 0 H ALA A 24 -7.010 -10.388 8.550 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.626 -13.192 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.722 -13.240 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.060 -12.618 10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.438 -11.494 10.181 1.00 0.00 H new ATOM 357 N MET A 25 -9.449 -11.764 6.379 1.00 0.00 N ATOM 358 CA MET A 25 -10.735 -11.414 5.747 1.00 0.00 C ATOM 359 C MET A 25 -10.840 -12.125 4.400 1.00 0.00 C ATOM 360 O MET A 25 -9.985 -11.991 3.546 1.00 0.00 O ATOM 361 CB MET A 25 -10.771 -9.899 5.535 1.00 0.00 C ATOM 362 CG MET A 25 -11.327 -9.220 6.788 1.00 0.00 C ATOM 363 SD MET A 25 -13.121 -9.043 6.632 1.00 0.00 S ATOM 364 CE MET A 25 -13.462 -8.634 8.361 1.00 0.00 C ATOM 0 H MET A 25 -8.665 -11.864 5.734 1.00 0.00 H new ATOM 0 HA MET A 25 -11.568 -11.721 6.380 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.769 -9.527 5.322 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.391 -9.657 4.672 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.084 -9.810 7.672 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.864 -8.242 6.920 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.533 -8.480 8.494 1.00 0.00 H new ATOM 0 HE2 MET A 25 -13.131 -9.452 9.001 1.00 0.00 H new ATOM 0 HE3 MET A 25 -12.928 -7.723 8.632 1.00 0.00 H new ATOM 374 N LEU A 26 -11.883 -12.874 4.200 1.00 0.00 N ATOM 375 CA LEU A 26 -12.043 -13.589 2.903 1.00 0.00 C ATOM 376 C LEU A 26 -12.484 -12.572 1.849 1.00 0.00 C ATOM 377 O LEU A 26 -13.338 -11.743 2.093 1.00 0.00 O ATOM 378 CB LEU A 26 -13.107 -14.681 3.042 1.00 0.00 C ATOM 379 CG LEU A 26 -12.730 -15.878 2.168 1.00 0.00 C ATOM 380 CD1 LEU A 26 -11.689 -16.731 2.893 1.00 0.00 C ATOM 381 CD2 LEU A 26 -13.978 -16.720 1.895 1.00 0.00 C ATOM 0 H LEU A 26 -12.632 -13.024 4.876 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.101 -14.053 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.191 -14.991 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.081 -14.293 2.745 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.315 -15.524 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.420 -17.584 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.800 -16.131 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.103 -17.087 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.712 -17.574 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.391 -17.075 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.721 -16.112 1.379 1.00 0.00 H new ATOM 393 N ASN A 27 -11.877 -12.600 0.695 1.00 0.00 N ATOM 394 CA ASN A 27 -12.227 -11.605 -0.356 1.00 0.00 C ATOM 395 C ASN A 27 -11.562 -10.277 0.017 1.00 0.00 C ATOM 396 O ASN A 27 -12.132 -9.484 0.740 1.00 0.00 O ATOM 397 CB ASN A 27 -13.745 -11.419 -0.424 1.00 0.00 C ATOM 398 CG ASN A 27 -14.436 -12.777 -0.295 1.00 0.00 C ATOM 399 OD1 ASN A 27 -15.196 -13.000 0.626 1.00 0.00 O ATOM 400 ND2 ASN A 27 -14.204 -13.702 -1.187 1.00 0.00 N ATOM 0 H ASN A 27 -11.153 -13.270 0.435 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.880 -11.950 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.076 -10.754 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.022 -10.947 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.661 -14.611 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.566 -13.516 -1.961 1.00 0.00 H new ATOM 407 N PRO A 28 -10.360 -10.090 -0.466 1.00 0.00 N ATOM 408 CA PRO A 28 -9.565 -8.881 -0.177 1.00 0.00 C ATOM 409 C PRO A 28 -10.068 -7.675 -0.983 1.00 0.00 C ATOM 410 O PRO A 28 -10.064 -7.704 -2.197 1.00 0.00 O ATOM 411 CB PRO A 28 -8.150 -9.272 -0.617 1.00 0.00 C ATOM 412 CG PRO A 28 -8.309 -10.432 -1.626 1.00 0.00 C ATOM 413 CD PRO A 28 -9.687 -11.063 -1.353 1.00 0.00 C ATOM 0 HA PRO A 28 -9.624 -8.581 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.639 -8.426 -1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.549 -9.581 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.246 -10.066 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.514 -11.167 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.246 -11.214 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.591 -12.038 -0.875 1.00 0.00 H new ATOM 421 N PRO A 29 -10.470 -6.638 -0.282 1.00 0.00 N ATOM 422 CA PRO A 29 -10.958 -5.401 -0.915 1.00 0.00 C ATOM 423 C PRO A 29 -9.770 -4.564 -1.399 1.00 0.00 C ATOM 424 O PRO A 29 -8.632 -4.981 -1.305 1.00 0.00 O ATOM 425 CB PRO A 29 -11.704 -4.686 0.213 1.00 0.00 C ATOM 426 CG PRO A 29 -11.132 -5.247 1.537 1.00 0.00 C ATOM 427 CD PRO A 29 -10.482 -6.601 1.197 1.00 0.00 C ATOM 0 HA PRO A 29 -11.591 -5.579 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.558 -3.607 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.777 -4.867 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.399 -4.562 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.921 -5.371 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.474 -6.672 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.053 -7.432 1.611 1.00 0.00 H new ATOM 435 N ASN A 30 -10.018 -3.390 -1.913 1.00 0.00 N ATOM 436 CA ASN A 30 -8.891 -2.541 -2.396 1.00 0.00 C ATOM 437 C ASN A 30 -9.331 -1.077 -2.459 1.00 0.00 C ATOM 438 O ASN A 30 -10.349 -0.749 -3.038 1.00 0.00 O ATOM 439 CB ASN A 30 -8.470 -2.999 -3.795 1.00 0.00 C ATOM 440 CG ASN A 30 -8.079 -4.478 -3.753 1.00 0.00 C ATOM 441 OD1 ASN A 30 -7.002 -4.821 -3.308 1.00 0.00 O ATOM 442 ND2 ASN A 30 -8.915 -5.375 -4.202 1.00 0.00 N ATOM 0 H ASN A 30 -10.947 -2.983 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.052 -2.638 -1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.288 -2.848 -4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.630 -2.400 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.664 -6.363 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.819 -5.087 -4.576 1.00 0.00 H new ATOM 449 N ARG A 31 -8.565 -0.193 -1.879 1.00 0.00 N ATOM 450 CA ARG A 31 -8.933 1.249 -1.916 1.00 0.00 C ATOM 451 C ARG A 31 -8.326 1.883 -3.169 1.00 0.00 C ATOM 452 O ARG A 31 -8.824 2.863 -3.686 1.00 0.00 O ATOM 453 CB ARG A 31 -8.392 1.954 -0.671 1.00 0.00 C ATOM 454 CG ARG A 31 -9.249 3.184 -0.369 1.00 0.00 C ATOM 455 CD ARG A 31 -10.134 2.903 0.846 1.00 0.00 C ATOM 456 NE ARG A 31 -11.376 3.720 0.754 1.00 0.00 N ATOM 457 CZ ARG A 31 -12.506 3.241 1.198 1.00 0.00 C ATOM 458 NH1 ARG A 31 -13.239 2.480 0.432 1.00 0.00 N ATOM 459 NH2 ARG A 31 -12.904 3.525 2.409 1.00 0.00 N ATOM 0 H ARG A 31 -7.701 -0.408 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.018 1.350 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.403 1.272 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.355 2.250 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.611 4.046 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.866 3.431 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.385 1.843 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.596 3.141 1.764 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.343 4.653 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.929 2.259 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.122 2.106 0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.332 4.121 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.787 3.151 2.757 1.00 0.00 H new ATOM 473 N CYS A 32 -7.258 1.320 -3.666 1.00 0.00 N ATOM 474 CA CYS A 32 -6.618 1.867 -4.887 1.00 0.00 C ATOM 475 C CYS A 32 -5.500 0.922 -5.303 1.00 0.00 C ATOM 476 O CYS A 32 -5.381 -0.173 -4.789 1.00 0.00 O ATOM 477 CB CYS A 32 -6.041 3.260 -4.609 1.00 0.00 C ATOM 478 SG CYS A 32 -5.299 3.303 -2.959 1.00 0.00 S ATOM 0 H CYS A 32 -6.801 0.498 -3.272 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.358 1.955 -5.683 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.292 3.509 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.828 4.010 -4.683 1.00 0.00 H new ATOM 483 N LEU A 33 -4.682 1.319 -6.225 1.00 0.00 N ATOM 484 CA LEU A 33 -3.586 0.421 -6.656 1.00 0.00 C ATOM 485 C LEU A 33 -2.504 1.234 -7.373 1.00 0.00 C ATOM 486 O LEU A 33 -1.325 1.032 -7.165 1.00 0.00 O ATOM 487 CB LEU A 33 -4.169 -0.640 -7.584 1.00 0.00 C ATOM 488 CG LEU A 33 -4.494 -1.895 -6.775 1.00 0.00 C ATOM 489 CD1 LEU A 33 -5.991 -2.190 -6.877 1.00 0.00 C ATOM 490 CD2 LEU A 33 -3.701 -3.079 -7.330 1.00 0.00 C ATOM 0 H LEU A 33 -4.723 2.222 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.129 -0.064 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.070 -0.262 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.458 -0.878 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.224 -1.736 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.226 -3.085 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.556 -1.346 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.260 -2.350 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.933 -3.974 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.970 -3.240 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.634 -2.868 -7.259 1.00 0.00 H new ATOM 502 N LYS A 34 -2.895 2.160 -8.207 1.00 0.00 N ATOM 503 CA LYS A 34 -1.886 2.992 -8.924 1.00 0.00 C ATOM 504 C LYS A 34 -2.038 4.449 -8.482 1.00 0.00 C ATOM 505 O LYS A 34 -1.164 5.013 -7.852 1.00 0.00 O ATOM 506 CB LYS A 34 -2.087 2.899 -10.446 1.00 0.00 C ATOM 507 CG LYS A 34 -3.332 2.069 -10.775 1.00 0.00 C ATOM 508 CD LYS A 34 -3.401 1.829 -12.285 1.00 0.00 C ATOM 509 CE LYS A 34 -4.165 2.973 -12.953 1.00 0.00 C ATOM 510 NZ LYS A 34 -4.938 2.440 -14.110 1.00 0.00 N ATOM 0 H LYS A 34 -3.868 2.376 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.889 2.625 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.188 3.899 -10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.209 2.447 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.297 1.117 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.228 2.589 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.395 1.760 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.896 0.880 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.839 3.443 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.470 3.742 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.459 3.216 -14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.285 2.011 -14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.611 1.721 -13.776 1.00 0.00 H new ATOM 524 N ASP A 35 -3.145 5.062 -8.803 1.00 0.00 N ATOM 525 CA ASP A 35 -3.359 6.479 -8.399 1.00 0.00 C ATOM 526 C ASP A 35 -4.855 6.801 -8.445 1.00 0.00 C ATOM 527 O ASP A 35 -5.352 7.346 -9.411 1.00 0.00 O ATOM 528 CB ASP A 35 -2.607 7.402 -9.360 1.00 0.00 C ATOM 529 CG ASP A 35 -2.198 8.681 -8.625 1.00 0.00 C ATOM 530 OD1 ASP A 35 -3.015 9.583 -8.547 1.00 0.00 O ATOM 531 OD2 ASP A 35 -1.073 8.737 -8.157 1.00 0.00 O ATOM 0 H ASP A 35 -3.911 4.641 -9.329 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.986 6.630 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.724 6.896 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.238 7.647 -10.214 1.00 0.00 H new ATOM 536 N THR A 36 -5.578 6.466 -7.410 1.00 0.00 N ATOM 537 CA THR A 36 -7.042 6.752 -7.402 1.00 0.00 C ATOM 538 C THR A 36 -7.340 7.914 -6.450 1.00 0.00 C ATOM 539 O THR A 36 -7.572 9.028 -6.873 1.00 0.00 O ATOM 540 CB THR A 36 -7.808 5.508 -6.940 1.00 0.00 C ATOM 541 OG1 THR A 36 -7.717 4.502 -7.939 1.00 0.00 O ATOM 542 CG2 THR A 36 -9.277 5.867 -6.707 1.00 0.00 C ATOM 0 H THR A 36 -5.220 6.008 -6.572 1.00 0.00 H new ATOM 0 HA THR A 36 -7.357 7.021 -8.410 1.00 0.00 H new ATOM 0 HB THR A 36 -7.376 5.139 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.205 3.704 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.820 4.981 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.346 6.640 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.713 6.236 -7.635 1.00 0.00 H new ATOM 550 N ASP A 37 -7.344 7.664 -5.168 1.00 0.00 N ATOM 551 CA ASP A 37 -7.638 8.759 -4.203 1.00 0.00 C ATOM 552 C ASP A 37 -6.429 8.979 -3.279 1.00 0.00 C ATOM 553 O ASP A 37 -5.399 9.452 -3.716 1.00 0.00 O ATOM 554 CB ASP A 37 -8.881 8.391 -3.387 1.00 0.00 C ATOM 555 CG ASP A 37 -10.133 8.700 -4.210 1.00 0.00 C ATOM 556 OD1 ASP A 37 -10.213 8.225 -5.331 1.00 0.00 O ATOM 557 OD2 ASP A 37 -10.988 9.408 -3.706 1.00 0.00 O ATOM 0 H ASP A 37 -7.157 6.753 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.830 9.686 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.857 7.334 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.897 8.953 -2.453 1.00 0.00 H new ATOM 562 N CYS A 38 -6.542 8.652 -2.012 1.00 0.00 N ATOM 563 CA CYS A 38 -5.395 8.862 -1.073 1.00 0.00 C ATOM 564 C CYS A 38 -4.713 10.196 -1.393 1.00 0.00 C ATOM 565 O CYS A 38 -3.765 10.238 -2.150 1.00 0.00 O ATOM 566 CB CYS A 38 -4.364 7.733 -1.210 1.00 0.00 C ATOM 567 SG CYS A 38 -5.136 6.226 -1.861 1.00 0.00 S ATOM 0 H CYS A 38 -7.378 8.249 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.781 8.868 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.559 8.049 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.915 7.526 -0.239 1.00 0.00 H new ATOM 572 N PRO A 39 -5.219 11.250 -0.807 1.00 0.00 N ATOM 573 CA PRO A 39 -4.679 12.605 -1.014 1.00 0.00 C ATOM 574 C PRO A 39 -3.391 12.799 -0.208 1.00 0.00 C ATOM 575 O PRO A 39 -2.954 11.916 0.503 1.00 0.00 O ATOM 576 CB PRO A 39 -5.796 13.519 -0.501 1.00 0.00 C ATOM 577 CG PRO A 39 -6.646 12.665 0.471 1.00 0.00 C ATOM 578 CD PRO A 39 -6.372 11.190 0.116 1.00 0.00 C ATOM 0 HA PRO A 39 -4.415 12.808 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.383 14.390 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.404 13.890 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.375 12.871 1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.706 12.898 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.141 10.602 1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.238 10.726 -0.357 1.00 0.00 H new ATOM 586 N GLY A 40 -2.778 13.947 -0.317 1.00 0.00 N ATOM 587 CA GLY A 40 -1.517 14.192 0.440 1.00 0.00 C ATOM 588 C GLY A 40 -0.489 13.124 0.072 1.00 0.00 C ATOM 589 O GLY A 40 -0.747 12.256 -0.740 1.00 0.00 O ATOM 0 H GLY A 40 -3.095 14.724 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.127 15.183 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.713 14.170 1.512 1.00 0.00 H new ATOM 593 N ILE A 41 0.674 13.172 0.661 1.00 0.00 N ATOM 594 CA ILE A 41 1.711 12.151 0.340 1.00 0.00 C ATOM 595 C ILE A 41 1.084 10.761 0.419 1.00 0.00 C ATOM 596 O ILE A 41 1.544 9.824 -0.203 1.00 0.00 O ATOM 597 CB ILE A 41 2.862 12.246 1.343 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.299 12.293 2.766 1.00 0.00 C ATOM 599 CG2 ILE A 41 3.672 13.513 1.073 1.00 0.00 C ATOM 600 CD1 ILE A 41 3.450 12.446 3.762 1.00 0.00 C ATOM 0 H ILE A 41 0.951 13.872 1.349 1.00 0.00 H new ATOM 0 HA ILE A 41 2.096 12.328 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 41 3.507 11.374 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.603 13.126 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.739 11.382 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.492 13.580 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.075 13.478 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.028 14.386 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.052 12.480 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.129 11.598 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.991 13.369 3.554 1.00 0.00 H new ATOM 612 N LYS A 42 0.036 10.620 1.181 1.00 0.00 N ATOM 613 CA LYS A 42 -0.621 9.291 1.300 1.00 0.00 C ATOM 614 C LYS A 42 -0.938 8.761 -0.098 1.00 0.00 C ATOM 615 O LYS A 42 -1.386 9.487 -0.962 1.00 0.00 O ATOM 616 CB LYS A 42 -1.915 9.430 2.105 1.00 0.00 C ATOM 617 CG LYS A 42 -2.757 8.161 1.953 1.00 0.00 C ATOM 618 CD LYS A 42 -3.137 7.633 3.337 1.00 0.00 C ATOM 619 CE LYS A 42 -3.823 8.743 4.135 1.00 0.00 C ATOM 620 NZ LYS A 42 -2.925 9.190 5.239 1.00 0.00 N ATOM 0 H LYS A 42 -0.393 11.368 1.726 1.00 0.00 H new ATOM 0 HA LYS A 42 0.045 8.596 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.684 9.601 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.479 10.296 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.656 8.375 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.197 7.404 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.802 6.775 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.247 7.289 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.059 9.583 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.767 8.382 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.283 8.828 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.965 8.825 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.900 10.229 5.267 1.00 0.00 H new ATOM 634 N LYS A 43 -0.710 7.497 -0.321 1.00 0.00 N ATOM 635 CA LYS A 43 -0.996 6.901 -1.658 1.00 0.00 C ATOM 636 C LYS A 43 -1.279 5.412 -1.467 1.00 0.00 C ATOM 637 O LYS A 43 -1.432 4.952 -0.360 1.00 0.00 O ATOM 638 CB LYS A 43 0.216 7.083 -2.574 1.00 0.00 C ATOM 639 CG LYS A 43 -0.260 7.413 -3.992 1.00 0.00 C ATOM 640 CD LYS A 43 -1.026 8.738 -3.984 1.00 0.00 C ATOM 641 CE LYS A 43 -0.119 9.859 -4.495 1.00 0.00 C ATOM 642 NZ LYS A 43 -0.681 10.412 -5.760 1.00 0.00 N ATOM 0 H LYS A 43 -0.335 6.846 0.369 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.856 7.392 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.853 7.883 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.818 6.174 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.594 7.480 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.900 6.614 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.914 8.660 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.369 8.965 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.038 10.646 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.887 9.478 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.066 11.174 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.737 9.658 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.633 10.790 -5.581 1.00 0.00 H new ATOM 656 N CYS A 44 -1.351 4.650 -2.524 1.00 0.00 N ATOM 657 CA CYS A 44 -1.628 3.195 -2.350 1.00 0.00 C ATOM 658 C CYS A 44 -0.343 2.394 -2.150 1.00 0.00 C ATOM 659 O CYS A 44 0.616 2.518 -2.885 1.00 0.00 O ATOM 660 CB CYS A 44 -2.383 2.640 -3.558 1.00 0.00 C ATOM 661 SG CYS A 44 -3.909 1.842 -2.989 1.00 0.00 S ATOM 0 H CYS A 44 -1.232 4.965 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.243 3.093 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.617 3.443 -4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.761 1.923 -4.093 1.00 0.00 H new ATOM 666 N CYS A 45 -0.354 1.545 -1.162 1.00 0.00 N ATOM 667 CA CYS A 45 0.811 0.673 -0.872 1.00 0.00 C ATOM 668 C CYS A 45 0.267 -0.736 -0.624 1.00 0.00 C ATOM 669 O CYS A 45 -0.880 -1.016 -0.913 1.00 0.00 O ATOM 670 CB CYS A 45 1.539 1.184 0.368 1.00 0.00 C ATOM 671 SG CYS A 45 2.861 2.325 -0.119 1.00 0.00 S ATOM 0 H CYS A 45 -1.144 1.418 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 45 1.518 0.671 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.836 1.689 1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.957 0.346 0.926 1.00 0.00 H new ATOM 676 N GLU A 46 1.050 -1.625 -0.090 1.00 0.00 N ATOM 677 CA GLU A 46 0.528 -2.994 0.164 1.00 0.00 C ATOM 678 C GLU A 46 -0.131 -3.036 1.548 1.00 0.00 C ATOM 679 O GLU A 46 0.014 -2.128 2.342 1.00 0.00 O ATOM 680 CB GLU A 46 1.683 -3.997 0.102 1.00 0.00 C ATOM 681 CG GLU A 46 2.329 -3.941 -1.284 1.00 0.00 C ATOM 682 CD GLU A 46 3.223 -5.167 -1.485 1.00 0.00 C ATOM 683 OE1 GLU A 46 3.119 -6.088 -0.690 1.00 0.00 O ATOM 684 OE2 GLU A 46 3.997 -5.164 -2.428 1.00 0.00 O ATOM 0 H GLU A 46 2.021 -1.467 0.180 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.212 -3.255 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.422 -3.766 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.317 -5.003 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.558 -3.910 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.917 -3.029 -1.385 1.00 0.00 H new ATOM 691 N GLY A 47 -0.861 -4.078 1.840 1.00 0.00 N ATOM 692 CA GLY A 47 -1.528 -4.178 3.174 1.00 0.00 C ATOM 693 C GLY A 47 -1.918 -5.636 3.443 1.00 0.00 C ATOM 694 O GLY A 47 -1.918 -6.457 2.547 1.00 0.00 O ATOM 0 H GLY A 47 -1.026 -4.866 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.858 -3.820 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.414 -3.543 3.198 1.00 0.00 H new ATOM 698 N SER A 48 -2.252 -5.967 4.669 1.00 0.00 N ATOM 699 CA SER A 48 -2.643 -7.378 4.976 1.00 0.00 C ATOM 700 C SER A 48 -3.567 -7.890 3.873 1.00 0.00 C ATOM 701 O SER A 48 -3.437 -9.003 3.404 1.00 0.00 O ATOM 702 CB SER A 48 -3.374 -7.450 6.316 1.00 0.00 C ATOM 703 OG SER A 48 -3.600 -6.134 6.805 1.00 0.00 O ATOM 0 H SER A 48 -2.270 -5.327 5.463 1.00 0.00 H new ATOM 0 HA SER A 48 -1.744 -7.992 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.323 -7.973 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.784 -8.020 7.034 1.00 0.00 H new ATOM 0 HG SER A 48 -4.070 -6.180 7.664 1.00 0.00 H new ATOM 709 N CYS A 49 -4.505 -7.083 3.456 1.00 0.00 N ATOM 710 CA CYS A 49 -5.443 -7.523 2.386 1.00 0.00 C ATOM 711 C CYS A 49 -5.275 -6.633 1.151 1.00 0.00 C ATOM 712 O CYS A 49 -5.307 -5.422 1.238 1.00 0.00 O ATOM 713 CB CYS A 49 -6.884 -7.410 2.894 1.00 0.00 C ATOM 714 SG CYS A 49 -7.730 -8.986 2.647 1.00 0.00 S ATOM 0 H CYS A 49 -4.661 -6.139 3.810 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.224 -8.557 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.889 -7.143 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.408 -6.616 2.362 1.00 0.00 H new ATOM 719 N GLY A 50 -5.109 -7.230 0.002 1.00 0.00 N ATOM 720 CA GLY A 50 -4.950 -6.432 -1.252 1.00 0.00 C ATOM 721 C GLY A 50 -4.076 -5.202 -0.992 1.00 0.00 C ATOM 722 O GLY A 50 -2.906 -5.313 -0.683 1.00 0.00 O ATOM 0 H GLY A 50 -5.076 -8.242 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.499 -7.049 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.928 -6.121 -1.619 1.00 0.00 H new ATOM 726 N MET A 51 -4.635 -4.028 -1.124 1.00 0.00 N ATOM 727 CA MET A 51 -3.838 -2.789 -0.894 1.00 0.00 C ATOM 728 C MET A 51 -4.750 -1.680 -0.360 1.00 0.00 C ATOM 729 O MET A 51 -5.948 -1.848 -0.241 1.00 0.00 O ATOM 730 CB MET A 51 -3.221 -2.333 -2.218 1.00 0.00 C ATOM 731 CG MET A 51 -2.251 -3.400 -2.729 1.00 0.00 C ATOM 732 SD MET A 51 -0.986 -2.616 -3.760 1.00 0.00 S ATOM 733 CE MET A 51 -0.701 -4.007 -4.883 1.00 0.00 C ATOM 0 H MET A 51 -5.610 -3.874 -1.381 1.00 0.00 H new ATOM 0 HA MET A 51 -3.052 -2.996 -0.168 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.005 -2.158 -2.955 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.697 -1.387 -2.080 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.784 -3.915 -1.890 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.790 -4.152 -3.305 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.059 -3.734 -5.615 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.361 -4.871 -4.313 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.629 -4.254 -5.399 1.00 0.00 H new ATOM 743 N ALA A 52 -4.190 -0.543 -0.049 1.00 0.00 N ATOM 744 CA ALA A 52 -5.021 0.589 0.466 1.00 0.00 C ATOM 745 C ALA A 52 -4.179 1.870 0.486 1.00 0.00 C ATOM 746 O ALA A 52 -3.074 1.891 -0.006 1.00 0.00 O ATOM 747 CB ALA A 52 -5.515 0.268 1.875 1.00 0.00 C ATOM 0 H ALA A 52 -3.192 -0.346 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.882 0.734 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.120 1.096 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.118 -0.640 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.660 0.119 2.535 1.00 0.00 H new ATOM 753 N CYS A 53 -4.693 2.947 1.026 1.00 0.00 N ATOM 754 CA CYS A 53 -3.913 4.220 1.033 1.00 0.00 C ATOM 755 C CYS A 53 -2.977 4.313 2.248 1.00 0.00 C ATOM 756 O CYS A 53 -3.375 4.735 3.315 1.00 0.00 O ATOM 757 CB CYS A 53 -4.878 5.407 1.086 1.00 0.00 C ATOM 758 SG CYS A 53 -6.057 5.337 -0.289 1.00 0.00 S ATOM 0 H CYS A 53 -5.615 2.999 1.460 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.311 4.238 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.416 5.402 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.317 6.340 1.043 1.00 0.00 H new ATOM 763 N PHE A 54 -1.725 3.968 2.086 1.00 0.00 N ATOM 764 CA PHE A 54 -0.762 4.089 3.219 1.00 0.00 C ATOM 765 C PHE A 54 0.053 5.380 3.021 1.00 0.00 C ATOM 766 O PHE A 54 -0.500 6.452 2.872 1.00 0.00 O ATOM 767 CB PHE A 54 0.182 2.886 3.233 1.00 0.00 C ATOM 768 CG PHE A 54 -0.605 1.605 3.348 1.00 0.00 C ATOM 769 CD1 PHE A 54 -1.262 1.071 2.231 1.00 0.00 C ATOM 770 CD2 PHE A 54 -0.676 0.951 4.580 1.00 0.00 C ATOM 771 CE1 PHE A 54 -1.988 -0.120 2.356 1.00 0.00 C ATOM 772 CE2 PHE A 54 -1.402 -0.238 4.703 1.00 0.00 C ATOM 773 CZ PHE A 54 -2.059 -0.773 3.591 1.00 0.00 C ATOM 0 H PHE A 54 -1.329 3.608 1.218 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.302 4.120 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.779 2.873 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.877 2.970 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.209 1.576 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.169 1.364 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.494 -0.535 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.455 -0.743 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.621 -1.690 3.685 1.00 0.00 H new ATOM 783 N VAL A 55 1.362 5.288 2.986 1.00 0.00 N ATOM 784 CA VAL A 55 2.197 6.506 2.763 1.00 0.00 C ATOM 785 C VAL A 55 2.320 6.692 1.236 1.00 0.00 C ATOM 786 O VAL A 55 1.595 6.045 0.508 1.00 0.00 O ATOM 787 CB VAL A 55 3.578 6.317 3.424 1.00 0.00 C ATOM 788 CG1 VAL A 55 3.922 7.562 4.249 1.00 0.00 C ATOM 789 CG2 VAL A 55 3.561 5.108 4.371 1.00 0.00 C ATOM 0 H VAL A 55 1.886 4.421 3.103 1.00 0.00 H new ATOM 0 HA VAL A 55 1.746 7.392 3.209 1.00 0.00 H new ATOM 0 HB VAL A 55 4.316 6.157 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.898 7.430 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.947 8.435 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.166 7.707 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.543 4.990 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.815 5.266 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.312 4.208 3.808 1.00 0.00 H new ATOM 799 N PRO A 56 3.197 7.557 0.764 1.00 0.00 N ATOM 800 CA PRO A 56 3.334 7.775 -0.689 1.00 0.00 C ATOM 801 C PRO A 56 4.009 6.587 -1.382 1.00 0.00 C ATOM 802 O PRO A 56 4.263 5.559 -0.786 1.00 0.00 O ATOM 803 CB PRO A 56 4.177 9.047 -0.799 1.00 0.00 C ATOM 804 CG PRO A 56 4.918 9.196 0.546 1.00 0.00 C ATOM 805 CD PRO A 56 4.119 8.381 1.582 1.00 0.00 C ATOM 0 HA PRO A 56 2.368 7.874 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.884 8.974 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.547 9.915 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.941 8.827 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.979 10.244 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.775 7.759 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.572 9.032 2.265 1.00 0.00 H new ATOM 813 N GLN A 57 4.279 6.731 -2.650 1.00 0.00 N ATOM 814 CA GLN A 57 4.918 5.634 -3.432 1.00 0.00 C ATOM 815 C GLN A 57 5.547 6.218 -4.698 1.00 0.00 C ATOM 816 O GLN A 57 5.412 5.602 -5.743 1.00 0.00 O ATOM 817 CB GLN A 57 3.860 4.600 -3.822 1.00 0.00 C ATOM 818 CG GLN A 57 4.553 3.336 -4.336 1.00 0.00 C ATOM 819 CD GLN A 57 3.502 2.336 -4.822 1.00 0.00 C ATOM 820 OE1 GLN A 57 3.136 2.336 -5.981 1.00 0.00 O ATOM 821 NE2 GLN A 57 2.998 1.477 -3.979 1.00 0.00 N ATOM 822 OXT GLN A 57 6.153 7.272 -4.602 1.00 0.00 O ATOM 0 H GLN A 57 4.081 7.576 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 57 5.687 5.155 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.234 4.361 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.203 5.007 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.234 3.587 -5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.154 2.891 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.305 1.477 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.297 0.806 -4.293 1.00 0.00 H new TER 831 GLN A 57