USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 476 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 212 CYS SG : rot 10:sc= -1.35 USER MOD Set 1.2: A 242 CYS SG : rot 99:sc= 0.171 USER MOD Single : A 187 MET CE :methyl 175:sc= 0 (180deg=-0.0336) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 197 THR OG1 : rot 27:sc= 0.243 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 CYS SG : rot -163:sc= -0.736 USER MOD Single : A 202 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.27) USER MOD Single : A 203 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 218 SER OG : rot -42:sc= 0.17 USER MOD Single : A 223 HIS : no HD1:sc= -0.85 X(o=-0.85,f=-0.37) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 232 LYS NZ :NH3+ 161:sc= -0.153 (180deg=-0.704) USER MOD Single : A 236 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.47) USER MOD Single : A 243 SER OG : rot -37:sc= 0.232 USER MOD Single : A 244 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.35) USER MOD Single : A 247 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0333) USER MOD Single : A 248 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0703) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -30.076 0.340 -16.916 1.00 0.00 N ATOM 2 CA MET A 187 -29.043 0.921 -17.793 1.00 0.00 C ATOM 3 C MET A 187 -27.858 1.390 -16.954 1.00 0.00 C ATOM 4 O MET A 187 -27.976 2.363 -16.209 1.00 0.00 O ATOM 5 CB MET A 187 -29.626 2.059 -18.645 1.00 0.00 C ATOM 6 CG MET A 187 -28.582 2.619 -19.619 1.00 0.00 C ATOM 7 SD MET A 187 -29.163 3.967 -20.683 1.00 0.00 S ATOM 8 CE MET A 187 -29.289 5.309 -19.470 1.00 0.00 C ATOM 0 HA MET A 187 -28.688 0.156 -18.483 1.00 0.00 H new ATOM 0 HB2 MET A 187 -30.488 1.693 -19.203 1.00 0.00 H new ATOM 0 HB3 MET A 187 -29.984 2.857 -17.994 1.00 0.00 H new ATOM 0 HG2 MET A 187 -27.726 2.974 -19.045 1.00 0.00 H new ATOM 0 HG3 MET A 187 -28.226 1.806 -20.252 1.00 0.00 H new ATOM 0 HE1 MET A 187 -29.550 6.237 -19.979 1.00 0.00 H new ATOM 0 HE2 MET A 187 -30.060 5.067 -18.739 1.00 0.00 H new ATOM 0 HE3 MET A 187 -28.333 5.431 -18.962 1.00 0.00 H new ATOM 20 N ASP A 188 -26.729 0.681 -17.071 1.00 0.00 N ATOM 21 CA ASP A 188 -25.506 0.975 -16.329 1.00 0.00 C ATOM 22 C ASP A 188 -24.807 2.228 -16.875 1.00 0.00 C ATOM 23 O ASP A 188 -24.470 3.106 -16.084 1.00 0.00 O ATOM 24 CB ASP A 188 -24.567 -0.239 -16.400 1.00 0.00 C ATOM 25 CG ASP A 188 -25.223 -1.497 -15.825 1.00 0.00 C ATOM 26 OD1 ASP A 188 -25.086 -1.707 -14.602 1.00 0.00 O ATOM 27 OD2 ASP A 188 -25.868 -2.216 -16.622 1.00 0.00 O ATOM 0 H ASP A 188 -26.642 -0.123 -17.693 1.00 0.00 H new ATOM 0 HA ASP A 188 -25.768 1.175 -15.290 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -24.282 -0.419 -17.437 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -23.651 -0.023 -15.851 1.00 0.00 H new ATOM 32 N MET A 189 -24.632 2.292 -18.210 1.00 0.00 N ATOM 33 CA MET A 189 -24.016 3.355 -19.017 1.00 0.00 C ATOM 34 C MET A 189 -23.093 4.305 -18.220 1.00 0.00 C ATOM 35 O MET A 189 -23.460 5.458 -17.986 1.00 0.00 O ATOM 36 CB MET A 189 -25.117 4.082 -19.816 1.00 0.00 C ATOM 37 CG MET A 189 -24.576 5.055 -20.875 1.00 0.00 C ATOM 38 SD MET A 189 -23.476 4.321 -22.115 1.00 0.00 S ATOM 39 CE MET A 189 -23.040 5.812 -23.045 1.00 0.00 C ATOM 0 H MET A 189 -24.950 1.526 -18.803 1.00 0.00 H new ATOM 0 HA MET A 189 -23.326 2.888 -19.720 1.00 0.00 H new ATOM 0 HB2 MET A 189 -25.747 3.340 -20.306 1.00 0.00 H new ATOM 0 HB3 MET A 189 -25.753 4.632 -19.122 1.00 0.00 H new ATOM 0 HG2 MET A 189 -25.421 5.513 -21.389 1.00 0.00 H new ATOM 0 HG3 MET A 189 -24.040 5.857 -20.367 1.00 0.00 H new ATOM 0 HE1 MET A 189 -22.362 5.549 -23.857 1.00 0.00 H new ATOM 0 HE2 MET A 189 -23.944 6.260 -23.458 1.00 0.00 H new ATOM 0 HE3 MET A 189 -22.552 6.525 -22.381 1.00 0.00 H new ATOM 49 N PRO A 190 -21.927 3.827 -17.738 1.00 0.00 N ATOM 50 CA PRO A 190 -21.087 4.583 -16.812 1.00 0.00 C ATOM 51 C PRO A 190 -20.396 5.781 -17.478 1.00 0.00 C ATOM 52 O PRO A 190 -20.390 6.853 -16.877 1.00 0.00 O ATOM 53 CB PRO A 190 -20.073 3.571 -16.264 1.00 0.00 C ATOM 54 CG PRO A 190 -19.971 2.516 -17.365 1.00 0.00 C ATOM 55 CD PRO A 190 -21.379 2.494 -17.955 1.00 0.00 C ATOM 0 HA PRO A 190 -21.687 5.027 -16.017 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -19.108 4.039 -16.069 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -20.412 3.135 -15.324 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -19.225 2.785 -18.113 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -19.686 1.543 -16.966 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -21.353 2.251 -19.017 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -21.994 1.736 -17.470 1.00 0.00 H new ATOM 63 N VAL A 191 -19.882 5.588 -18.709 1.00 0.00 N ATOM 64 CA VAL A 191 -19.071 6.474 -19.559 1.00 0.00 C ATOM 65 C VAL A 191 -17.851 7.126 -18.875 1.00 0.00 C ATOM 66 O VAL A 191 -17.889 7.490 -17.704 1.00 0.00 O ATOM 67 CB VAL A 191 -19.970 7.457 -20.354 1.00 0.00 C ATOM 68 CG1 VAL A 191 -20.341 8.744 -19.600 1.00 0.00 C ATOM 69 CG2 VAL A 191 -19.316 7.841 -21.691 1.00 0.00 C ATOM 0 H VAL A 191 -20.047 4.701 -19.185 1.00 0.00 H new ATOM 0 HA VAL A 191 -18.584 5.824 -20.286 1.00 0.00 H new ATOM 0 HB VAL A 191 -20.897 6.907 -20.516 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -20.970 9.369 -20.234 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -20.883 8.489 -18.690 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -19.433 9.288 -19.341 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -19.966 8.531 -22.229 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -18.356 8.320 -21.502 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -19.162 6.944 -22.291 1.00 0.00 H new ATOM 79 N ASP A 192 -16.767 7.294 -19.651 1.00 0.00 N ATOM 80 CA ASP A 192 -15.474 7.855 -19.237 1.00 0.00 C ATOM 81 C ASP A 192 -15.008 7.322 -17.865 1.00 0.00 C ATOM 82 O ASP A 192 -15.164 8.015 -16.859 1.00 0.00 O ATOM 83 CB ASP A 192 -15.508 9.391 -19.316 1.00 0.00 C ATOM 84 CG ASP A 192 -14.116 9.994 -19.106 1.00 0.00 C ATOM 85 OD1 ASP A 192 -13.279 9.815 -20.019 1.00 0.00 O ATOM 86 OD2 ASP A 192 -13.902 10.619 -18.043 1.00 0.00 O ATOM 0 H ASP A 192 -16.772 7.027 -20.636 1.00 0.00 H new ATOM 0 HA ASP A 192 -14.715 7.512 -19.940 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -15.896 9.698 -20.287 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -16.192 9.780 -18.562 1.00 0.00 H new ATOM 91 N PRO A 193 -14.490 6.080 -17.784 1.00 0.00 N ATOM 92 CA PRO A 193 -14.178 5.431 -16.514 1.00 0.00 C ATOM 93 C PRO A 193 -13.048 6.156 -15.771 1.00 0.00 C ATOM 94 O PRO A 193 -12.030 6.516 -16.362 1.00 0.00 O ATOM 95 CB PRO A 193 -13.809 3.985 -16.866 1.00 0.00 C ATOM 96 CG PRO A 193 -13.329 4.073 -18.314 1.00 0.00 C ATOM 97 CD PRO A 193 -14.186 5.193 -18.898 1.00 0.00 C ATOM 0 HA PRO A 193 -15.026 5.460 -15.830 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -13.029 3.600 -16.209 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -14.666 3.318 -16.768 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -12.266 4.307 -18.372 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -13.478 3.133 -18.845 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -13.652 5.724 -19.686 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -15.099 4.796 -19.343 1.00 0.00 H new ATOM 105 N ASN A 194 -13.244 6.333 -14.456 1.00 0.00 N ATOM 106 CA ASN A 194 -12.343 7.056 -13.553 1.00 0.00 C ATOM 107 C ASN A 194 -12.082 6.247 -12.264 1.00 0.00 C ATOM 108 O ASN A 194 -11.698 6.823 -11.246 1.00 0.00 O ATOM 109 CB ASN A 194 -12.931 8.446 -13.216 1.00 0.00 C ATOM 110 CG ASN A 194 -13.458 9.258 -14.402 1.00 0.00 C ATOM 111 OD1 ASN A 194 -14.601 9.704 -14.377 1.00 0.00 O ATOM 112 ND2 ASN A 194 -12.644 9.478 -15.434 1.00 0.00 N ATOM 0 H ASN A 194 -14.065 5.962 -13.977 1.00 0.00 H new ATOM 0 HA ASN A 194 -11.387 7.193 -14.059 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -13.745 8.311 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -12.161 9.032 -12.714 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -12.966 10.029 -16.229 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -11.699 9.095 -15.428 1.00 0.00 H new ATOM 119 N GLU A 195 -12.337 4.927 -12.293 1.00 0.00 N ATOM 120 CA GLU A 195 -12.321 4.038 -11.132 1.00 0.00 C ATOM 121 C GLU A 195 -10.959 4.066 -10.409 1.00 0.00 C ATOM 122 O GLU A 195 -9.930 3.888 -11.064 1.00 0.00 O ATOM 123 CB GLU A 195 -12.666 2.613 -11.600 1.00 0.00 C ATOM 124 CG GLU A 195 -12.869 1.643 -10.428 1.00 0.00 C ATOM 125 CD GLU A 195 -13.201 0.236 -10.926 1.00 0.00 C ATOM 126 OE1 GLU A 195 -14.396 -0.003 -11.207 1.00 0.00 O ATOM 127 OE2 GLU A 195 -12.255 -0.578 -11.019 1.00 0.00 O ATOM 0 H GLU A 195 -12.567 4.439 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 195 -13.063 4.381 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -13.572 2.642 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -11.867 2.241 -12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -11.966 1.612 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -13.674 2.005 -9.788 1.00 0.00 H new ATOM 134 N PRO A 196 -10.927 4.259 -9.072 1.00 0.00 N ATOM 135 CA PRO A 196 -9.696 4.236 -8.293 1.00 0.00 C ATOM 136 C PRO A 196 -9.166 2.802 -8.180 1.00 0.00 C ATOM 137 O PRO A 196 -9.826 1.932 -7.611 1.00 0.00 O ATOM 138 CB PRO A 196 -10.062 4.830 -6.929 1.00 0.00 C ATOM 139 CG PRO A 196 -11.548 4.508 -6.774 1.00 0.00 C ATOM 140 CD PRO A 196 -12.066 4.548 -8.210 1.00 0.00 C ATOM 0 HA PRO A 196 -8.896 4.812 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -9.471 4.385 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -9.881 5.904 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -11.703 3.530 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -12.054 5.238 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -12.859 3.814 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -12.489 5.525 -8.442 1.00 0.00 H new ATOM 148 N THR A 197 -7.961 2.575 -8.717 1.00 0.00 N ATOM 149 CA THR A 197 -7.227 1.317 -8.661 1.00 0.00 C ATOM 150 C THR A 197 -5.729 1.631 -8.661 1.00 0.00 C ATOM 151 O THR A 197 -5.276 2.422 -9.492 1.00 0.00 O ATOM 152 CB THR A 197 -7.550 0.435 -9.878 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.195 1.055 -11.099 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.021 0.016 -9.985 1.00 0.00 C ATOM 0 H THR A 197 -7.453 3.300 -9.224 1.00 0.00 H new ATOM 0 HA THR A 197 -7.515 0.779 -7.758 1.00 0.00 H new ATOM 0 HB THR A 197 -6.948 -0.457 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 197 -6.464 1.689 -10.944 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.159 -0.603 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.303 -0.551 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.648 0.904 -10.062 1.00 0.00 H new ATOM 162 N TYR A 198 -4.959 1.015 -7.748 1.00 0.00 N ATOM 163 CA TYR A 198 -3.528 1.332 -7.605 1.00 0.00 C ATOM 164 C TYR A 198 -2.704 0.204 -6.967 1.00 0.00 C ATOM 165 O TYR A 198 -1.640 -0.104 -7.502 1.00 0.00 O ATOM 166 CB TYR A 198 -3.303 2.607 -6.779 1.00 0.00 C ATOM 167 CG TYR A 198 -4.163 3.824 -7.088 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.439 3.961 -6.503 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.691 4.816 -7.969 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.243 5.073 -6.800 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.492 5.932 -8.276 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.775 6.063 -7.694 1.00 0.00 C ATOM 173 OH TYR A 198 -6.563 7.134 -7.993 1.00 0.00 O ATOM 0 H TYR A 198 -5.299 0.301 -7.104 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.183 1.475 -8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.449 2.354 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.259 2.899 -6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.800 3.205 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.710 4.720 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.218 5.172 -6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.127 6.688 -8.956 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.093 7.721 -8.621 1.00 0.00 H new ATOM 183 N CYS A 199 -3.172 -0.402 -5.856 1.00 0.00 N ATOM 184 CA CYS A 199 -2.657 -1.633 -5.257 1.00 0.00 C ATOM 185 C CYS A 199 -2.253 -2.699 -6.274 1.00 0.00 C ATOM 186 O CYS A 199 -2.634 -2.688 -7.446 1.00 0.00 O ATOM 187 CB CYS A 199 -3.780 -2.278 -4.419 1.00 0.00 C ATOM 188 SG CYS A 199 -5.356 -2.180 -5.212 1.00 0.00 S ATOM 0 H CYS A 199 -3.959 -0.020 -5.332 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.778 -1.337 -4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.535 -3.324 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.834 -1.785 -3.448 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.295 -2.392 -4.339 1.00 0.00 H new ATOM 193 N LEU A 200 -1.595 -3.725 -5.736 1.00 0.00 N ATOM 194 CA LEU A 200 -1.333 -4.960 -6.458 1.00 0.00 C ATOM 195 C LEU A 200 -2.635 -5.752 -6.639 1.00 0.00 C ATOM 196 O LEU A 200 -2.628 -6.759 -7.344 1.00 0.00 O ATOM 197 CB LEU A 200 -0.280 -5.817 -5.725 1.00 0.00 C ATOM 198 CG LEU A 200 0.858 -5.028 -5.048 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.774 -5.990 -4.284 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.694 -4.210 -6.045 1.00 0.00 C ATOM 0 H LEU A 200 -1.229 -3.719 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.935 -4.704 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.786 -6.415 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.158 -6.514 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 200 0.389 -4.322 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.577 -5.427 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.197 -6.514 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.201 -6.714 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.479 -3.676 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.145 -4.880 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.052 -3.493 -6.556 1.00 0.00 H new ATOM 212 N CYS A 201 -3.744 -5.301 -6.020 1.00 0.00 N ATOM 213 CA CYS A 201 -5.051 -5.879 -6.203 1.00 0.00 C ATOM 214 C CYS A 201 -5.866 -5.122 -7.262 1.00 0.00 C ATOM 215 O CYS A 201 -6.892 -5.634 -7.708 1.00 0.00 O ATOM 216 CB CYS A 201 -5.741 -5.776 -4.856 1.00 0.00 C ATOM 217 SG CYS A 201 -4.999 -6.871 -3.614 1.00 0.00 S ATOM 0 H CYS A 201 -3.736 -4.512 -5.373 1.00 0.00 H new ATOM 0 HA CYS A 201 -4.967 -6.908 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.692 -4.746 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.796 -6.024 -4.971 1.00 0.00 H new ATOM 222 N HIS A 202 -5.407 -3.915 -7.630 1.00 0.00 N ATOM 223 CA HIS A 202 -6.061 -2.949 -8.514 1.00 0.00 C ATOM 224 C HIS A 202 -7.552 -2.745 -8.181 1.00 0.00 C ATOM 225 O HIS A 202 -8.412 -2.880 -9.050 1.00 0.00 O ATOM 226 CB HIS A 202 -5.729 -3.239 -9.992 1.00 0.00 C ATOM 227 CG HIS A 202 -6.126 -4.605 -10.499 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.383 -4.997 -10.898 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.304 -5.693 -10.637 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.315 -6.290 -11.257 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.066 -6.762 -11.118 1.00 0.00 N ATOM 0 H HIS A 202 -4.509 -3.569 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.640 -1.962 -8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.220 -2.486 -10.609 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.655 -3.117 -10.134 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.248 -5.720 -10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.153 -6.872 -11.610 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.740 -7.707 -11.322 1.00 0.00 H new ATOM 239 N GLN A 203 -7.847 -2.447 -6.903 1.00 0.00 N ATOM 240 CA GLN A 203 -9.181 -2.177 -6.367 1.00 0.00 C ATOM 241 C GLN A 203 -9.018 -1.652 -4.938 1.00 0.00 C ATOM 242 O GLN A 203 -8.167 -2.144 -4.208 1.00 0.00 O ATOM 243 CB GLN A 203 -10.060 -3.447 -6.379 1.00 0.00 C ATOM 244 CG GLN A 203 -9.526 -4.601 -5.512 1.00 0.00 C ATOM 245 CD GLN A 203 -10.212 -5.923 -5.844 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.215 -6.280 -5.235 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.673 -6.660 -6.814 1.00 0.00 N ATOM 0 H GLN A 203 -7.123 -2.387 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.682 -1.437 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.061 -3.184 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.157 -3.797 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.451 -4.701 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.680 -4.366 -4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.838 -6.332 -7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.095 -7.552 -7.071 1.00 0.00 H new ATOM 256 N VAL A 204 -9.840 -0.675 -4.545 1.00 0.00 N ATOM 257 CA VAL A 204 -9.787 0.019 -3.239 1.00 0.00 C ATOM 258 C VAL A 204 -11.160 -0.024 -2.527 1.00 0.00 C ATOM 259 O VAL A 204 -12.149 -0.464 -3.112 1.00 0.00 O ATOM 260 CB VAL A 204 -9.206 1.460 -3.374 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.535 1.942 -2.064 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.165 1.572 -4.500 1.00 0.00 C ATOM 0 H VAL A 204 -10.590 -0.327 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.091 -0.521 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.065 2.089 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.145 2.950 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.270 1.946 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.717 1.269 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.793 2.595 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.336 0.894 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.627 1.307 -5.451 1.00 0.00 H new ATOM 272 N SER A 205 -11.201 0.409 -1.253 1.00 0.00 N ATOM 273 CA SER A 205 -12.364 0.414 -0.350 1.00 0.00 C ATOM 274 C SER A 205 -12.815 -0.998 0.075 1.00 0.00 C ATOM 275 O SER A 205 -13.922 -1.430 -0.241 1.00 0.00 O ATOM 276 CB SER A 205 -13.502 1.294 -0.896 1.00 0.00 C ATOM 277 OG SER A 205 -13.056 2.619 -1.108 1.00 0.00 O ATOM 0 H SER A 205 -10.370 0.788 -0.800 1.00 0.00 H new ATOM 0 HA SER A 205 -12.039 0.880 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.873 0.877 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.336 1.294 -0.194 1.00 0.00 H new ATOM 0 HG SER A 205 -13.794 3.161 -1.457 1.00 0.00 H new ATOM 283 N TYR A 206 -11.925 -1.714 0.782 1.00 0.00 N ATOM 284 CA TYR A 206 -12.069 -3.108 1.212 1.00 0.00 C ATOM 285 C TYR A 206 -11.036 -3.388 2.317 1.00 0.00 C ATOM 286 O TYR A 206 -9.827 -3.354 2.070 1.00 0.00 O ATOM 287 CB TYR A 206 -11.914 -4.100 0.028 1.00 0.00 C ATOM 288 CG TYR A 206 -10.543 -4.197 -0.641 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.878 -3.027 -1.039 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.912 -5.443 -0.855 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.587 -3.078 -1.548 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.629 -5.506 -1.445 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.954 -4.308 -1.779 1.00 0.00 C ATOM 294 OH TYR A 206 -6.716 -4.270 -2.349 1.00 0.00 O ATOM 0 H TYR A 206 -11.038 -1.310 1.084 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.075 -3.258 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.184 -5.094 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.642 -3.827 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.377 -2.074 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.414 -6.354 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.064 -2.159 -1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.167 -6.463 -1.640 1.00 0.00 H new ATOM 304 N GLY A 207 -11.507 -3.638 3.548 1.00 0.00 N ATOM 305 CA GLY A 207 -10.675 -3.785 4.722 1.00 0.00 C ATOM 306 C GLY A 207 -9.916 -2.504 5.050 1.00 0.00 C ATOM 307 O GLY A 207 -10.169 -1.424 4.513 1.00 0.00 O ATOM 0 H GLY A 207 -12.502 -3.744 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.296 -4.066 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -9.965 -4.596 4.563 1.00 0.00 H new ATOM 311 N GLU A 208 -8.972 -2.674 5.968 1.00 0.00 N ATOM 312 CA GLU A 208 -7.951 -1.679 6.293 1.00 0.00 C ATOM 313 C GLU A 208 -6.957 -1.519 5.126 1.00 0.00 C ATOM 314 O GLU A 208 -6.714 -2.445 4.351 1.00 0.00 O ATOM 315 CB GLU A 208 -7.277 -1.986 7.641 1.00 0.00 C ATOM 316 CG GLU A 208 -6.767 -3.426 7.821 1.00 0.00 C ATOM 317 CD GLU A 208 -6.034 -3.657 9.151 1.00 0.00 C ATOM 318 OE1 GLU A 208 -5.833 -2.682 9.911 1.00 0.00 O ATOM 319 OE2 GLU A 208 -5.678 -4.833 9.389 1.00 0.00 O ATOM 0 H GLU A 208 -8.891 -3.527 6.521 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.432 -0.709 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.436 -1.304 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.988 -1.770 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -7.611 -4.112 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.095 -3.670 6.998 1.00 0.00 H new ATOM 326 N MET A 209 -6.399 -0.307 5.009 1.00 0.00 N ATOM 327 CA MET A 209 -5.643 0.185 3.851 1.00 0.00 C ATOM 328 C MET A 209 -4.491 1.073 4.323 1.00 0.00 C ATOM 329 O MET A 209 -4.583 1.687 5.387 1.00 0.00 O ATOM 330 CB MET A 209 -6.625 0.985 2.972 1.00 0.00 C ATOM 331 CG MET A 209 -7.742 0.091 2.407 1.00 0.00 C ATOM 332 SD MET A 209 -8.855 0.868 1.212 1.00 0.00 S ATOM 333 CE MET A 209 -9.756 2.004 2.295 1.00 0.00 C ATOM 0 H MET A 209 -6.466 0.388 5.753 1.00 0.00 H new ATOM 0 HA MET A 209 -5.213 -0.639 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 209 -7.066 1.790 3.559 1.00 0.00 H new ATOM 0 HB3 MET A 209 -6.081 1.451 2.150 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.281 -0.776 1.933 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.339 -0.281 3.240 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.486 2.563 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.270 1.436 3.070 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.055 2.698 2.758 1.00 0.00 H new ATOM 343 N ILE A 210 -3.410 1.141 3.529 1.00 0.00 N ATOM 344 CA ILE A 210 -2.190 1.847 3.897 1.00 0.00 C ATOM 345 C ILE A 210 -1.734 2.660 2.682 1.00 0.00 C ATOM 346 O ILE A 210 -2.547 3.311 2.027 1.00 0.00 O ATOM 347 CB ILE A 210 -1.170 0.866 4.562 1.00 0.00 C ATOM 348 CG1 ILE A 210 -0.009 1.529 5.345 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.621 -0.267 3.673 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.471 2.377 6.536 1.00 0.00 C ATOM 0 H ILE A 210 -3.366 0.702 2.609 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.333 2.585 4.686 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.833 0.397 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.665 0.752 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.564 2.158 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.075 -0.877 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.446 -0.889 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.103 0.162 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.397 2.808 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.121 3.177 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.018 1.749 7.239 1.00 0.00 H new ATOM 362 N GLY A 211 -0.435 2.661 2.423 1.00 0.00 N ATOM 363 CA GLY A 211 0.238 3.514 1.473 1.00 0.00 C ATOM 364 C GLY A 211 1.678 3.776 1.861 1.00 0.00 C ATOM 365 O GLY A 211 1.980 4.111 3.005 1.00 0.00 O ATOM 0 H GLY A 211 0.208 2.029 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.208 3.052 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.295 4.462 1.397 1.00 0.00 H new ATOM 369 N CYS A 212 2.551 3.612 0.861 1.00 0.00 N ATOM 370 CA CYS A 212 3.980 3.874 0.973 1.00 0.00 C ATOM 371 C CYS A 212 4.173 5.365 1.253 1.00 0.00 C ATOM 372 O CYS A 212 3.683 6.202 0.493 1.00 0.00 O ATOM 373 CB CYS A 212 4.734 3.422 -0.290 1.00 0.00 C ATOM 374 SG CYS A 212 6.496 3.836 -0.124 1.00 0.00 S ATOM 0 H CYS A 212 2.273 3.287 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 212 4.400 3.296 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.614 2.348 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.316 3.910 -1.170 1.00 0.00 H new ATOM 0 HG CYS A 212 6.739 4.220 1.094 1.00 0.00 H new ATOM 379 N ASP A 213 4.897 5.680 2.337 1.00 0.00 N ATOM 380 CA ASP A 213 5.187 7.043 2.771 1.00 0.00 C ATOM 381 C ASP A 213 6.143 7.801 1.826 1.00 0.00 C ATOM 382 O ASP A 213 6.555 8.913 2.156 1.00 0.00 O ATOM 383 CB ASP A 213 5.698 7.009 4.217 1.00 0.00 C ATOM 384 CG ASP A 213 4.609 6.582 5.201 1.00 0.00 C ATOM 385 OD1 ASP A 213 3.907 7.488 5.701 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.501 5.362 5.449 1.00 0.00 O ATOM 0 H ASP A 213 5.305 4.972 2.947 1.00 0.00 H new ATOM 0 HA ASP A 213 4.260 7.615 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.540 6.320 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.069 7.996 4.493 1.00 0.00 H new ATOM 391 N ASP A 214 6.508 7.219 0.670 1.00 0.00 N ATOM 392 CA ASP A 214 7.170 7.909 -0.428 1.00 0.00 C ATOM 393 C ASP A 214 6.105 8.780 -1.121 1.00 0.00 C ATOM 394 O ASP A 214 5.174 8.220 -1.707 1.00 0.00 O ATOM 395 CB ASP A 214 7.739 6.853 -1.390 1.00 0.00 C ATOM 396 CG ASP A 214 8.341 7.419 -2.678 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.744 8.603 -2.675 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.383 6.639 -3.654 1.00 0.00 O ATOM 0 H ASP A 214 6.342 6.231 0.478 1.00 0.00 H new ATOM 0 HA ASP A 214 7.992 8.539 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.506 6.281 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.944 6.155 -1.653 1.00 0.00 H new ATOM 403 N PRO A 215 6.209 10.125 -1.080 1.00 0.00 N ATOM 404 CA PRO A 215 5.230 11.026 -1.689 1.00 0.00 C ATOM 405 C PRO A 215 5.383 11.139 -3.215 1.00 0.00 C ATOM 406 O PRO A 215 4.719 11.969 -3.836 1.00 0.00 O ATOM 407 CB PRO A 215 5.456 12.369 -0.988 1.00 0.00 C ATOM 408 CG PRO A 215 6.968 12.370 -0.769 1.00 0.00 C ATOM 409 CD PRO A 215 7.266 10.905 -0.448 1.00 0.00 C ATOM 0 HA PRO A 215 4.214 10.655 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.133 13.209 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.909 12.434 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.505 12.707 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.258 13.030 0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.245 10.615 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.281 10.738 0.629 1.00 0.00 H new ATOM 417 N ASP A 216 6.230 10.289 -3.809 1.00 0.00 N ATOM 418 CA ASP A 216 6.448 10.164 -5.243 1.00 0.00 C ATOM 419 C ASP A 216 6.208 8.711 -5.694 1.00 0.00 C ATOM 420 O ASP A 216 6.469 8.381 -6.851 1.00 0.00 O ATOM 421 CB ASP A 216 7.859 10.684 -5.575 1.00 0.00 C ATOM 422 CG ASP A 216 8.086 10.892 -7.075 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.326 11.692 -7.665 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.027 10.264 -7.606 1.00 0.00 O ATOM 0 H ASP A 216 6.806 9.642 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 216 5.734 10.771 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.024 11.628 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.598 9.978 -5.196 1.00 0.00 H new ATOM 429 N CYS A 217 5.680 7.845 -4.806 1.00 0.00 N ATOM 430 CA CYS A 217 5.259 6.501 -5.179 1.00 0.00 C ATOM 431 C CYS A 217 4.156 6.575 -6.243 1.00 0.00 C ATOM 432 O CYS A 217 3.154 7.269 -6.072 1.00 0.00 O ATOM 433 CB CYS A 217 4.766 5.760 -3.936 1.00 0.00 C ATOM 434 SG CYS A 217 4.415 4.025 -4.329 1.00 0.00 S ATOM 0 H CYS A 217 5.539 8.065 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 217 6.103 5.956 -5.601 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.519 5.816 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.867 6.241 -3.551 1.00 0.00 H new ATOM 440 N SER A 218 4.350 5.811 -7.324 1.00 0.00 N ATOM 441 CA SER A 218 3.488 5.770 -8.511 1.00 0.00 C ATOM 442 C SER A 218 2.151 5.035 -8.273 1.00 0.00 C ATOM 443 O SER A 218 1.369 4.850 -9.205 1.00 0.00 O ATOM 444 CB SER A 218 4.294 5.129 -9.652 1.00 0.00 C ATOM 445 OG SER A 218 3.700 5.380 -10.910 1.00 0.00 O ATOM 0 H SER A 218 5.146 5.177 -7.399 1.00 0.00 H new ATOM 0 HA SER A 218 3.199 6.788 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.312 5.520 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.364 4.053 -9.490 1.00 0.00 H new ATOM 0 HG SER A 218 2.729 5.271 -10.841 1.00 0.00 H new ATOM 451 N ILE A 219 1.891 4.610 -7.028 1.00 0.00 N ATOM 452 CA ILE A 219 0.739 3.813 -6.609 1.00 0.00 C ATOM 453 C ILE A 219 0.106 4.428 -5.346 1.00 0.00 C ATOM 454 O ILE A 219 -1.118 4.432 -5.232 1.00 0.00 O ATOM 455 CB ILE A 219 1.201 2.341 -6.433 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.342 1.654 -7.811 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.265 1.567 -5.497 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.956 0.248 -7.762 1.00 0.00 C ATOM 0 H ILE A 219 2.513 4.826 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.048 3.817 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 219 2.183 2.342 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.357 1.591 -8.274 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.957 2.283 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.618 0.541 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.254 2.045 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.743 1.565 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 219 2.017 -0.158 -8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.956 0.302 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.332 -0.401 -7.148 1.00 0.00 H new ATOM 470 N GLU A 220 0.929 4.996 -4.451 1.00 0.00 N ATOM 471 CA GLU A 220 0.564 5.806 -3.279 1.00 0.00 C ATOM 472 C GLU A 220 -0.073 5.026 -2.113 1.00 0.00 C ATOM 473 O GLU A 220 0.263 5.305 -0.965 1.00 0.00 O ATOM 474 CB GLU A 220 -0.225 7.064 -3.724 1.00 0.00 C ATOM 475 CG GLU A 220 -1.676 7.217 -3.229 1.00 0.00 C ATOM 476 CD GLU A 220 -1.781 7.648 -1.759 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.148 8.670 -1.411 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.508 6.963 -1.009 1.00 0.00 O ATOM 0 H GLU A 220 1.940 4.894 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 220 1.496 6.145 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.334 7.942 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.240 7.081 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.188 7.951 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.198 6.269 -3.359 1.00 0.00 H new ATOM 485 N TRP A 221 -0.933 4.038 -2.395 1.00 0.00 N ATOM 486 CA TRP A 221 -1.726 3.265 -1.440 1.00 0.00 C ATOM 487 C TRP A 221 -1.565 1.778 -1.761 1.00 0.00 C ATOM 488 O TRP A 221 -1.413 1.381 -2.917 1.00 0.00 O ATOM 489 CB TRP A 221 -3.190 3.720 -1.463 1.00 0.00 C ATOM 490 CG TRP A 221 -4.112 2.767 -2.099 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.455 2.758 -3.394 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.686 1.586 -1.496 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.141 1.592 -3.659 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.303 0.822 -2.522 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.671 1.060 -0.189 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.894 -0.422 -2.254 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.273 -0.174 0.081 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.870 -0.923 -0.942 1.00 0.00 C ATOM 0 H TRP A 221 -1.101 3.742 -3.356 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.370 3.435 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.519 3.897 -0.439 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.253 4.673 -1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.231 3.534 -4.111 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.487 1.329 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.193 1.611 0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.362 -0.987 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.278 -0.554 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.311 -1.884 -0.722 1.00 0.00 H new ATOM 509 N PHE A 222 -1.636 0.950 -0.720 1.00 0.00 N ATOM 510 CA PHE A 222 -1.417 -0.487 -0.813 1.00 0.00 C ATOM 511 C PHE A 222 -2.282 -1.147 0.234 1.00 0.00 C ATOM 512 O PHE A 222 -2.513 -0.599 1.309 1.00 0.00 O ATOM 513 CB PHE A 222 0.050 -0.835 -0.530 1.00 0.00 C ATOM 514 CG PHE A 222 1.012 -0.363 -1.596 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.473 0.966 -1.576 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.405 -1.230 -2.633 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.292 1.447 -2.603 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.257 -0.761 -3.646 1.00 0.00 C ATOM 519 CZ PHE A 222 2.696 0.574 -3.627 1.00 0.00 C ATOM 0 H PHE A 222 -1.851 1.267 0.225 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.666 -0.831 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.339 -0.396 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.142 -1.916 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.193 1.619 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.053 -2.251 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.611 2.479 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.574 -1.424 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.351 0.932 -4.408 1.00 0.00 H new ATOM 529 N HIS A 223 -2.760 -2.342 -0.094 1.00 0.00 N ATOM 530 CA HIS A 223 -3.579 -3.113 0.817 1.00 0.00 C ATOM 531 C HIS A 223 -2.733 -3.691 1.950 1.00 0.00 C ATOM 532 O HIS A 223 -1.561 -4.020 1.775 1.00 0.00 O ATOM 533 CB HIS A 223 -4.262 -4.189 -0.017 1.00 0.00 C ATOM 534 CG HIS A 223 -5.397 -4.930 0.616 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.752 -6.223 0.245 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.285 -4.452 1.536 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.828 -6.515 0.997 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.174 -5.471 1.771 1.00 0.00 N ATOM 0 H HIS A 223 -2.590 -2.795 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.332 -2.494 1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.631 -3.724 -0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.507 -4.917 -0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.288 -3.471 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.346 -7.463 0.981 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.960 -5.442 2.420 1.00 0.00 H new ATOM 546 N PHE A 224 -3.373 -3.846 3.108 1.00 0.00 N ATOM 547 CA PHE A 224 -2.855 -4.597 4.254 1.00 0.00 C ATOM 548 C PHE A 224 -2.585 -6.083 3.948 1.00 0.00 C ATOM 549 O PHE A 224 -2.000 -6.760 4.788 1.00 0.00 O ATOM 550 CB PHE A 224 -3.826 -4.465 5.437 1.00 0.00 C ATOM 551 CG PHE A 224 -3.444 -3.401 6.448 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.553 -2.036 6.128 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.037 -3.782 7.740 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.282 -1.061 7.103 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.764 -2.805 8.710 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.890 -1.444 8.395 1.00 0.00 C ATOM 0 H PHE A 224 -4.293 -3.441 3.281 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.888 -4.161 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.821 -4.241 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.891 -5.426 5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.845 -1.737 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -2.934 -4.829 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -3.376 -0.014 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.456 -3.102 9.702 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.686 -0.693 9.144 1.00 0.00 H new ATOM 566 N ALA A 225 -2.950 -6.583 2.758 1.00 0.00 N ATOM 567 CA ALA A 225 -2.580 -7.904 2.275 1.00 0.00 C ATOM 568 C ALA A 225 -1.779 -7.851 0.963 1.00 0.00 C ATOM 569 O ALA A 225 -1.354 -8.900 0.481 1.00 0.00 O ATOM 570 CB ALA A 225 -3.827 -8.788 2.172 1.00 0.00 C ATOM 0 H ALA A 225 -3.524 -6.061 2.096 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.904 -8.356 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.544 -9.776 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.289 -8.881 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.536 -8.337 1.478 1.00 0.00 H new ATOM 576 N CYS A 226 -1.519 -6.652 0.407 1.00 0.00 N ATOM 577 CA CYS A 226 -0.543 -6.462 -0.665 1.00 0.00 C ATOM 578 C CYS A 226 0.902 -6.590 -0.137 1.00 0.00 C ATOM 579 O CYS A 226 1.842 -6.577 -0.930 1.00 0.00 O ATOM 580 CB CYS A 226 -0.758 -5.108 -1.327 1.00 0.00 C ATOM 581 SG CYS A 226 -2.067 -5.180 -2.581 1.00 0.00 S ATOM 0 H CYS A 226 -1.985 -5.791 0.694 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.691 -7.246 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.019 -4.369 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.172 -4.776 -1.789 1.00 0.00 H new ATOM 587 N VAL A 227 1.070 -6.723 1.189 1.00 0.00 N ATOM 588 CA VAL A 227 2.341 -6.870 1.901 1.00 0.00 C ATOM 589 C VAL A 227 2.272 -7.938 3.012 1.00 0.00 C ATOM 590 O VAL A 227 3.304 -8.366 3.527 1.00 0.00 O ATOM 591 CB VAL A 227 2.776 -5.484 2.425 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.666 -4.836 3.269 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.104 -5.522 3.202 1.00 0.00 C ATOM 0 H VAL A 227 0.273 -6.731 1.826 1.00 0.00 H new ATOM 0 HA VAL A 227 3.101 -7.238 1.211 1.00 0.00 H new ATOM 0 HB VAL A 227 2.950 -4.866 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.001 -3.861 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.771 -4.712 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.438 -5.475 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.355 -4.518 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.003 -6.183 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.896 -5.892 2.551 1.00 0.00 H new ATOM 603 N GLY A 228 1.061 -8.389 3.357 1.00 0.00 N ATOM 604 CA GLY A 228 0.811 -9.324 4.449 1.00 0.00 C ATOM 605 C GLY A 228 0.972 -8.681 5.833 1.00 0.00 C ATOM 606 O GLY A 228 1.522 -9.319 6.729 1.00 0.00 O ATOM 0 H GLY A 228 0.211 -8.105 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.199 -9.724 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.497 -10.167 4.363 1.00 0.00 H new ATOM 610 N LEU A 229 0.530 -7.423 5.995 1.00 0.00 N ATOM 611 CA LEU A 229 0.525 -6.722 7.284 1.00 0.00 C ATOM 612 C LEU A 229 -0.472 -7.395 8.238 1.00 0.00 C ATOM 613 O LEU A 229 -1.684 -7.311 8.038 1.00 0.00 O ATOM 614 CB LEU A 229 0.167 -5.231 7.108 1.00 0.00 C ATOM 615 CG LEU A 229 1.357 -4.319 6.752 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.824 -2.975 6.232 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.300 -4.063 7.936 1.00 0.00 C ATOM 0 H LEU A 229 0.163 -6.861 5.226 1.00 0.00 H new ATOM 0 HA LEU A 229 1.528 -6.779 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.587 -5.143 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.287 -4.869 8.031 1.00 0.00 H new ATOM 0 HG LEU A 229 1.938 -4.836 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.661 -2.325 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.214 -3.144 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.218 -2.501 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.116 -3.414 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.748 -3.582 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.707 -5.011 8.289 1.00 0.00 H new ATOM 629 N THR A 230 0.058 -8.043 9.284 1.00 0.00 N ATOM 630 CA THR A 230 -0.724 -8.653 10.365 1.00 0.00 C ATOM 631 C THR A 230 -1.234 -7.617 11.382 1.00 0.00 C ATOM 632 O THR A 230 -2.133 -7.929 12.163 1.00 0.00 O ATOM 633 CB THR A 230 0.119 -9.718 11.091 1.00 0.00 C ATOM 634 OG1 THR A 230 1.306 -9.150 11.611 1.00 0.00 O ATOM 635 CG2 THR A 230 0.487 -10.891 10.173 1.00 0.00 C ATOM 0 H THR A 230 1.064 -8.160 9.404 1.00 0.00 H new ATOM 0 HA THR A 230 -1.597 -9.116 9.904 1.00 0.00 H new ATOM 0 HB THR A 230 -0.497 -10.099 11.905 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.826 -9.842 12.070 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.081 -11.616 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.423 -11.369 9.811 1.00 0.00 H new ATOM 0 HG23 THR A 230 1.065 -10.522 9.325 1.00 0.00 H new ATOM 643 N THR A 231 -0.672 -6.399 11.371 1.00 0.00 N ATOM 644 CA THR A 231 -1.058 -5.273 12.218 1.00 0.00 C ATOM 645 C THR A 231 -0.659 -3.956 11.545 1.00 0.00 C ATOM 646 O THR A 231 0.022 -3.938 10.518 1.00 0.00 O ATOM 647 CB THR A 231 -0.434 -5.417 13.623 1.00 0.00 C ATOM 648 OG1 THR A 231 -0.935 -4.445 14.518 1.00 0.00 O ATOM 649 CG2 THR A 231 1.101 -5.360 13.634 1.00 0.00 C ATOM 0 H THR A 231 0.097 -6.167 10.742 1.00 0.00 H new ATOM 0 HA THR A 231 -2.141 -5.268 12.345 1.00 0.00 H new ATOM 0 HB THR A 231 -0.727 -6.414 13.951 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.521 -4.566 15.398 1.00 0.00 H new ATOM 0 HG21 THR A 231 1.462 -5.468 14.657 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.500 -6.168 13.021 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.432 -4.403 13.232 1.00 0.00 H new ATOM 657 N LYS A 232 -1.102 -2.849 12.146 1.00 0.00 N ATOM 658 CA LYS A 232 -0.836 -1.491 11.682 1.00 0.00 C ATOM 659 C LYS A 232 0.665 -1.173 11.820 1.00 0.00 C ATOM 660 O LYS A 232 1.210 -1.346 12.912 1.00 0.00 O ATOM 661 CB LYS A 232 -1.718 -0.517 12.478 1.00 0.00 C ATOM 662 CG LYS A 232 -1.625 0.920 11.938 1.00 0.00 C ATOM 663 CD LYS A 232 -2.632 1.885 12.587 1.00 0.00 C ATOM 664 CE LYS A 232 -3.993 1.940 11.874 1.00 0.00 C ATOM 665 NZ LYS A 232 -4.786 0.705 12.025 1.00 0.00 N ATOM 0 H LYS A 232 -1.671 -2.877 12.992 1.00 0.00 H new ATOM 0 HA LYS A 232 -1.085 -1.388 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -2.754 -0.852 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -1.418 -0.530 13.526 1.00 0.00 H new ATOM 0 HG2 LYS A 232 -0.615 1.297 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -1.789 0.906 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 232 -2.788 1.588 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 232 -2.201 2.886 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -4.566 2.781 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -3.831 2.131 10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -5.785 0.906 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -4.432 -0.017 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -4.701 0.355 13.001 1.00 0.00 H new ATOM 679 N PRO A 233 1.344 -0.714 10.748 1.00 0.00 N ATOM 680 CA PRO A 233 2.774 -0.422 10.774 1.00 0.00 C ATOM 681 C PRO A 233 3.082 0.898 11.498 1.00 0.00 C ATOM 682 O PRO A 233 2.186 1.685 11.808 1.00 0.00 O ATOM 683 CB PRO A 233 3.194 -0.370 9.301 1.00 0.00 C ATOM 684 CG PRO A 233 1.942 0.140 8.596 1.00 0.00 C ATOM 685 CD PRO A 233 0.811 -0.487 9.410 1.00 0.00 C ATOM 0 HA PRO A 233 3.327 -1.180 11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 233 4.042 0.298 9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 233 3.491 -1.352 8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 233 1.889 1.229 8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 233 1.910 -0.173 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.055 0.173 9.444 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.481 -1.423 8.959 1.00 0.00 H new ATOM 693 N ARG A 234 4.380 1.135 11.733 1.00 0.00 N ATOM 694 CA ARG A 234 4.926 2.381 12.272 1.00 0.00 C ATOM 695 C ARG A 234 4.679 3.560 11.308 1.00 0.00 C ATOM 696 O ARG A 234 4.298 3.361 10.153 1.00 0.00 O ATOM 697 CB ARG A 234 6.420 2.140 12.568 1.00 0.00 C ATOM 698 CG ARG A 234 7.058 3.184 13.502 1.00 0.00 C ATOM 699 CD ARG A 234 8.414 2.713 14.047 1.00 0.00 C ATOM 700 NE ARG A 234 9.416 2.543 12.980 1.00 0.00 N ATOM 701 CZ ARG A 234 10.329 3.448 12.595 1.00 0.00 C ATOM 702 NH1 ARG A 234 10.421 4.651 13.167 1.00 0.00 N ATOM 703 NH2 ARG A 234 11.175 3.139 11.612 1.00 0.00 N ATOM 0 H ARG A 234 5.101 0.438 11.545 1.00 0.00 H new ATOM 0 HA ARG A 234 4.423 2.662 13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.535 1.152 13.014 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.968 2.130 11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 234 7.190 4.122 12.962 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.383 3.387 14.334 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.781 3.436 14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.283 1.768 14.574 1.00 0.00 H new ATOM 0 HE ARG A 234 9.416 1.651 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 234 9.785 4.907 13.922 1.00 0.00 H new ATOM 0 HH12 ARG A 234 11.128 5.314 12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 234 11.123 2.225 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 234 11.874 3.817 11.309 1.00 0.00 H new ATOM 717 N GLY A 235 4.925 4.789 11.788 1.00 0.00 N ATOM 718 CA GLY A 235 4.730 6.050 11.065 1.00 0.00 C ATOM 719 C GLY A 235 5.555 6.229 9.777 1.00 0.00 C ATOM 720 O GLY A 235 5.391 7.247 9.108 1.00 0.00 O ATOM 0 H GLY A 235 5.281 4.934 12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.674 6.140 10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 235 4.966 6.872 11.740 1.00 0.00 H new ATOM 724 N LYS A 236 6.405 5.254 9.422 1.00 0.00 N ATOM 725 CA LYS A 236 7.091 5.149 8.145 1.00 0.00 C ATOM 726 C LYS A 236 7.068 3.682 7.736 1.00 0.00 C ATOM 727 O LYS A 236 7.645 2.811 8.386 1.00 0.00 O ATOM 728 CB LYS A 236 8.534 5.671 8.208 1.00 0.00 C ATOM 729 CG LYS A 236 8.624 7.199 8.106 1.00 0.00 C ATOM 730 CD LYS A 236 8.240 7.823 6.753 1.00 0.00 C ATOM 731 CE LYS A 236 9.090 7.290 5.594 1.00 0.00 C ATOM 732 NZ LYS A 236 8.858 8.047 4.348 1.00 0.00 N ATOM 0 H LYS A 236 6.637 4.487 10.053 1.00 0.00 H new ATOM 0 HA LYS A 236 6.580 5.771 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 236 8.991 5.347 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 236 9.112 5.224 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 236 7.982 7.630 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 236 9.646 7.496 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 236 7.188 7.621 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 236 8.351 8.906 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 236 10.145 7.346 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 236 8.859 6.238 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 8.569 7.393 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.107 8.750 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 9.734 8.533 4.069 1.00 0.00 H new ATOM 746 N TRP A 237 6.392 3.472 6.613 1.00 0.00 N ATOM 747 CA TRP A 237 6.219 2.215 5.906 1.00 0.00 C ATOM 748 C TRP A 237 6.549 2.420 4.422 1.00 0.00 C ATOM 749 O TRP A 237 6.455 3.528 3.893 1.00 0.00 O ATOM 750 CB TRP A 237 4.785 1.721 6.108 1.00 0.00 C ATOM 751 CG TRP A 237 4.449 0.405 5.462 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.701 -0.822 5.970 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.861 0.164 4.145 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.327 -1.794 5.065 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.820 -1.241 3.907 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.412 1.000 3.104 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.360 -1.776 2.692 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.951 0.471 1.882 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.903 -0.915 1.687 1.00 0.00 C ATOM 0 H TRP A 237 5.914 4.238 6.138 1.00 0.00 H new ATOM 0 HA TRP A 237 6.896 1.456 6.297 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.597 1.637 7.178 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.102 2.478 5.723 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.132 -1.013 6.942 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.414 -2.797 5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.421 2.071 3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.359 -2.844 2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.634 1.137 1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.514 -1.319 0.764 1.00 0.00 H new ATOM 770 N PHE A 238 6.917 1.325 3.751 1.00 0.00 N ATOM 771 CA PHE A 238 7.245 1.306 2.333 1.00 0.00 C ATOM 772 C PHE A 238 6.668 0.037 1.713 1.00 0.00 C ATOM 773 O PHE A 238 6.678 -1.027 2.336 1.00 0.00 O ATOM 774 CB PHE A 238 8.768 1.348 2.137 1.00 0.00 C ATOM 775 CG PHE A 238 9.450 2.582 2.703 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.595 3.741 1.917 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.938 2.574 4.026 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.222 4.882 2.448 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.563 3.714 4.557 1.00 0.00 C ATOM 780 CZ PHE A 238 10.711 4.866 3.766 1.00 0.00 C ATOM 0 H PHE A 238 6.995 0.409 4.194 1.00 0.00 H new ATOM 0 HA PHE A 238 6.816 2.182 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.204 0.464 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 238 8.985 1.287 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.223 3.754 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.831 1.687 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.328 5.771 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.930 3.705 5.573 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.201 5.739 4.171 1.00 0.00 H new ATOM 790 N CYS A 239 6.184 0.147 0.470 1.00 0.00 N ATOM 791 CA CYS A 239 5.642 -0.977 -0.276 1.00 0.00 C ATOM 792 C CYS A 239 6.735 -1.991 -0.646 1.00 0.00 C ATOM 793 O CYS A 239 7.913 -1.636 -0.602 1.00 0.00 O ATOM 794 CB CYS A 239 4.870 -0.410 -1.465 1.00 0.00 C ATOM 795 SG CYS A 239 5.935 0.274 -2.757 1.00 0.00 S ATOM 0 H CYS A 239 6.161 1.028 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 239 4.948 -1.558 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.251 -1.197 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.195 0.369 -1.111 1.00 0.00 H new ATOM 801 N PRO A 240 6.382 -3.236 -1.032 1.00 0.00 N ATOM 802 CA PRO A 240 7.339 -4.270 -1.438 1.00 0.00 C ATOM 803 C PRO A 240 7.953 -4.007 -2.832 1.00 0.00 C ATOM 804 O PRO A 240 8.243 -4.946 -3.571 1.00 0.00 O ATOM 805 CB PRO A 240 6.559 -5.589 -1.333 1.00 0.00 C ATOM 806 CG PRO A 240 5.128 -5.173 -1.653 1.00 0.00 C ATOM 807 CD PRO A 240 5.033 -3.794 -1.007 1.00 0.00 C ATOM 0 HA PRO A 240 8.220 -4.289 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.929 -6.333 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.638 -6.026 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.948 -5.131 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.400 -5.868 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.338 -3.156 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.662 -3.868 0.015 1.00 0.00 H new ATOM 815 N ARG A 241 8.155 -2.727 -3.188 1.00 0.00 N ATOM 816 CA ARG A 241 8.837 -2.270 -4.394 1.00 0.00 C ATOM 817 C ARG A 241 9.752 -1.085 -4.061 1.00 0.00 C ATOM 818 O ARG A 241 10.855 -0.993 -4.596 1.00 0.00 O ATOM 819 CB ARG A 241 7.824 -1.882 -5.488 1.00 0.00 C ATOM 820 CG ARG A 241 6.895 -3.037 -5.905 1.00 0.00 C ATOM 821 CD ARG A 241 5.932 -2.636 -7.029 1.00 0.00 C ATOM 822 NE ARG A 241 6.636 -2.403 -8.300 1.00 0.00 N ATOM 823 CZ ARG A 241 6.057 -2.055 -9.459 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.738 -1.873 -9.558 1.00 0.00 N ATOM 825 NH2 ARG A 241 6.815 -1.889 -10.543 1.00 0.00 N ATOM 0 H ARG A 241 7.829 -1.952 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 241 9.445 -3.089 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.217 -1.050 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.366 -1.528 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.498 -3.884 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.321 -3.369 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.187 -3.420 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 241 5.395 -1.732 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 241 7.650 -2.516 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.143 -1.998 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.325 -1.608 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 241 7.824 -2.027 -10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.386 -1.624 -11.430 1.00 0.00 H new ATOM 839 N CYS A 242 9.322 -0.223 -3.129 1.00 0.00 N ATOM 840 CA CYS A 242 10.083 0.840 -2.519 1.00 0.00 C ATOM 841 C CYS A 242 11.084 0.298 -1.485 1.00 0.00 C ATOM 842 O CYS A 242 12.188 0.824 -1.365 1.00 0.00 O ATOM 843 CB CYS A 242 9.038 1.711 -1.828 1.00 0.00 C ATOM 844 SG CYS A 242 8.252 2.857 -3.000 1.00 0.00 S ATOM 0 H CYS A 242 8.369 -0.265 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 242 10.673 1.384 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.278 1.077 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.508 2.276 -1.023 1.00 0.00 H new ATOM 0 HG CYS A 242 7.105 2.374 -3.376 1.00 0.00 H new ATOM 850 N SER A 243 10.696 -0.761 -0.757 1.00 0.00 N ATOM 851 CA SER A 243 11.488 -1.400 0.291 1.00 0.00 C ATOM 852 C SER A 243 12.533 -2.382 -0.267 1.00 0.00 C ATOM 853 O SER A 243 13.327 -2.916 0.508 1.00 0.00 O ATOM 854 CB SER A 243 10.530 -2.126 1.247 1.00 0.00 C ATOM 855 OG SER A 243 11.187 -2.469 2.449 1.00 0.00 O ATOM 0 H SER A 243 9.789 -1.207 -0.891 1.00 0.00 H new ATOM 0 HA SER A 243 12.047 -0.626 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 243 9.673 -1.488 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.144 -3.026 0.768 1.00 0.00 H new ATOM 0 HG SER A 243 12.109 -2.736 2.253 1.00 0.00 H new ATOM 861 N GLN A 244 12.531 -2.640 -1.585 1.00 0.00 N ATOM 862 CA GLN A 244 13.491 -3.518 -2.245 1.00 0.00 C ATOM 863 C GLN A 244 14.873 -2.860 -2.353 1.00 0.00 C ATOM 864 O GLN A 244 15.875 -3.536 -2.124 1.00 0.00 O ATOM 865 CB GLN A 244 12.976 -3.912 -3.639 1.00 0.00 C ATOM 866 CG GLN A 244 11.711 -4.783 -3.559 1.00 0.00 C ATOM 867 CD GLN A 244 11.244 -5.268 -4.934 1.00 0.00 C ATOM 868 OE1 GLN A 244 11.253 -4.521 -5.909 1.00 0.00 O ATOM 869 NE2 GLN A 244 10.825 -6.529 -5.026 1.00 0.00 N ATOM 0 H GLN A 244 11.849 -2.234 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 244 13.598 -4.416 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 244 12.761 -3.011 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 244 13.756 -4.453 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 244 11.907 -5.645 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 244 10.911 -4.213 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 244 10.828 -7.129 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 244 10.502 -6.895 -5.921 1.00 0.00 H new ATOM 878 N GLU A 245 14.925 -1.553 -2.660 1.00 0.00 N ATOM 879 CA GLU A 245 16.127 -0.750 -2.752 1.00 0.00 C ATOM 880 C GLU A 245 16.917 -0.752 -1.437 1.00 0.00 C ATOM 881 O GLU A 245 18.115 -1.026 -1.451 1.00 0.00 O ATOM 882 CB GLU A 245 15.665 0.655 -3.165 1.00 0.00 C ATOM 883 CG GLU A 245 16.802 1.534 -3.678 1.00 0.00 C ATOM 884 CD GLU A 245 17.720 2.060 -2.570 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.188 2.724 -1.652 1.00 0.00 O ATOM 886 OE2 GLU A 245 18.938 1.786 -2.642 1.00 0.00 O ATOM 0 H GLU A 245 14.082 -1.014 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 245 16.822 -1.155 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 245 14.904 0.567 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 245 15.195 1.142 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 245 17.397 0.964 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 245 16.380 2.380 -4.220 1.00 0.00 H new ATOM 893 N ARG A 246 16.217 -0.523 -0.313 1.00 0.00 N ATOM 894 CA ARG A 246 16.706 -0.657 1.063 1.00 0.00 C ATOM 895 C ARG A 246 18.043 0.059 1.348 1.00 0.00 C ATOM 896 O ARG A 246 18.837 -0.418 2.159 1.00 0.00 O ATOM 897 CB ARG A 246 16.695 -2.154 1.436 1.00 0.00 C ATOM 898 CG ARG A 246 16.441 -2.382 2.937 1.00 0.00 C ATOM 899 CD ARG A 246 16.197 -3.859 3.267 1.00 0.00 C ATOM 900 NE ARG A 246 14.961 -4.352 2.637 1.00 0.00 N ATOM 901 CZ ARG A 246 14.212 -5.387 3.041 1.00 0.00 C ATOM 902 NH1 ARG A 246 14.531 -6.113 4.114 1.00 0.00 N ATOM 903 NH2 ARG A 246 13.117 -5.697 2.348 1.00 0.00 N ATOM 0 H ARG A 246 15.243 -0.223 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 246 16.026 -0.120 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 246 15.924 -2.664 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 246 17.650 -2.602 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 246 17.297 -2.021 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 246 15.578 -1.794 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 246 17.044 -4.455 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 246 16.132 -3.986 4.348 1.00 0.00 H new ATOM 0 HE ARG A 246 14.642 -3.854 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 246 15.367 -5.886 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 246 13.939 -6.895 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 246 12.862 -5.150 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 246 12.534 -6.481 2.640 1.00 0.00 H new ATOM 917 N LYS A 247 18.288 1.199 0.678 1.00 0.00 N ATOM 918 CA LYS A 247 19.531 1.975 0.720 1.00 0.00 C ATOM 919 C LYS A 247 20.763 1.086 0.467 1.00 0.00 C ATOM 920 O LYS A 247 21.665 0.994 1.301 1.00 0.00 O ATOM 921 CB LYS A 247 19.575 2.820 2.008 1.00 0.00 C ATOM 922 CG LYS A 247 20.617 3.946 1.933 1.00 0.00 C ATOM 923 CD LYS A 247 20.615 4.779 3.224 1.00 0.00 C ATOM 924 CE LYS A 247 21.648 5.910 3.176 1.00 0.00 C ATOM 925 NZ LYS A 247 23.033 5.397 3.184 1.00 0.00 N ATOM 0 H LYS A 247 17.590 1.620 0.065 1.00 0.00 H new ATOM 0 HA LYS A 247 19.556 2.689 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 247 18.591 3.251 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 247 19.802 2.174 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 247 21.607 3.521 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 247 20.403 4.589 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 247 19.622 5.200 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 247 20.826 4.131 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 247 21.489 6.508 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 247 21.502 6.571 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 23.698 6.194 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 23.164 4.765 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 23.213 4.871 2.305 1.00 0.00 H new ATOM 939 N LYS A 248 20.757 0.392 -0.681 1.00 0.00 N ATOM 940 CA LYS A 248 21.737 -0.632 -1.052 1.00 0.00 C ATOM 941 C LYS A 248 22.146 -0.519 -2.534 1.00 0.00 C ATOM 942 O LYS A 248 22.495 -1.516 -3.164 1.00 0.00 O ATOM 943 CB LYS A 248 21.169 -2.014 -0.666 1.00 0.00 C ATOM 944 CG LYS A 248 22.260 -3.073 -0.447 1.00 0.00 C ATOM 945 CD LYS A 248 21.634 -4.440 -0.133 1.00 0.00 C ATOM 946 CE LYS A 248 22.700 -5.529 0.034 1.00 0.00 C ATOM 947 NZ LYS A 248 23.393 -5.824 -1.234 1.00 0.00 N ATOM 0 H LYS A 248 20.046 0.535 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 248 22.666 -0.484 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 248 20.578 -1.916 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 248 20.493 -2.354 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 248 22.884 -3.149 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 248 22.910 -2.768 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 248 21.042 -4.368 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 248 20.951 -4.720 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 248 23.429 -5.211 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 248 22.233 -6.438 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 23.994 -6.665 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 22.691 -6.004 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 23.984 -5.012 -1.504 1.00 0.00 H new ATOM 961 N LYS A 249 22.124 0.717 -3.059 1.00 0.00 N ATOM 962 CA LYS A 249 22.491 1.118 -4.419 1.00 0.00 C ATOM 963 C LYS A 249 21.835 0.234 -5.495 1.00 0.00 C ATOM 964 O LYS A 249 22.521 -0.659 -6.042 1.00 0.00 O ATOM 965 CB LYS A 249 24.028 1.220 -4.517 1.00 0.00 C ATOM 966 CG LYS A 249 24.500 1.907 -5.807 1.00 0.00 C ATOM 967 CD LYS A 249 26.032 1.939 -5.872 1.00 0.00 C ATOM 968 CE LYS A 249 26.492 2.608 -7.169 1.00 0.00 C ATOM 969 NZ LYS A 249 27.962 2.620 -7.278 1.00 0.00 N ATOM 970 OXT LYS A 249 20.642 0.489 -5.768 1.00 0.00 O ATOM 0 H LYS A 249 21.827 1.517 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 249 22.087 2.108 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 249 24.406 1.773 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 249 24.458 0.220 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 249 24.105 1.377 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 249 24.108 2.923 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 249 26.428 2.482 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 249 26.427 0.924 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 249 26.067 2.080 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 249 26.115 3.630 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 28.240 3.080 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 28.365 3.145 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 28.319 1.643 -7.267 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.537 -4.602 -2.678 1.00 0.00 ZN HETATM 986 ZN ZN A 302 4.835 2.392 -2.735 1.00 0.00 ZN