USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=19 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 244 GLN : amide:sc= 0.0827 K(o=0.46,f=-5.1!) USER MOD Set 1.2: A 247 LYS NZ :NH3+ 159:sc= 0.373 (180deg=0.253) USER MOD Set 2.1: A 212 CYS SG : rot -171:sc= -1.59! USER MOD Set 2.2: A 239 CYS SG : rot -79:sc= -0.0605 USER MOD Set 2.3: A 242 CYS SG : rot 99:sc= 0.798 USER MOD Set 3.1: A 199 CYS SG : rot -114:sc= 1.08 USER MOD Set 3.2: A 226 CYS SG : rot 103:sc= 0.614 USER MOD Single : A 187 MET CE :methyl -176:sc= 0 (180deg=-0.0217) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 THR OG1 : rot 26:sc= 0.145 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0908 X(o=-0.091,f=-0.21) USER MOD Single : A 203 GLN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -179:sc= 0 (180deg=-0.00114) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-0.085) USER MOD Single : A 230 THR OG1 : rot -13:sc= 0.278 USER MOD Single : A 231 THR OG1 : rot 180:sc= -0.0726 USER MOD Single : A 232 LYS NZ :NH3+ 166:sc=-0.000621 (180deg=-0.149) USER MOD Single : A 236 LYS NZ :NH3+ 170:sc=-0.00991 (180deg=-0.163) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 248 LYS NZ :NH3+ -120:sc= 0.61 (180deg=-1.32!) USER MOD Single : A 249 LYS NZ :NH3+ -141:sc= 0.553 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -23.718 24.037 -14.850 1.00 0.00 N ATOM 2 CA MET A 187 -23.011 22.956 -15.563 1.00 0.00 C ATOM 3 C MET A 187 -21.813 22.492 -14.739 1.00 0.00 C ATOM 4 O MET A 187 -20.858 23.247 -14.558 1.00 0.00 O ATOM 5 CB MET A 187 -22.578 23.397 -16.969 1.00 0.00 C ATOM 6 CG MET A 187 -23.791 23.613 -17.883 1.00 0.00 C ATOM 7 SD MET A 187 -23.388 24.110 -19.581 1.00 0.00 S ATOM 8 CE MET A 187 -22.840 25.816 -19.307 1.00 0.00 C ATOM 0 HA MET A 187 -23.698 22.119 -15.689 1.00 0.00 H new ATOM 0 HB2 MET A 187 -22.002 24.320 -16.902 1.00 0.00 H new ATOM 0 HB3 MET A 187 -21.922 22.642 -17.403 1.00 0.00 H new ATOM 0 HG2 MET A 187 -24.371 22.690 -17.918 1.00 0.00 H new ATOM 0 HG3 MET A 187 -24.431 24.375 -17.439 1.00 0.00 H new ATOM 0 HE1 MET A 187 -22.624 26.287 -20.266 1.00 0.00 H new ATOM 0 HE2 MET A 187 -23.626 26.373 -18.798 1.00 0.00 H new ATOM 0 HE3 MET A 187 -21.940 25.815 -18.692 1.00 0.00 H new ATOM 20 N ASP A 188 -21.893 21.258 -14.225 1.00 0.00 N ATOM 21 CA ASP A 188 -20.832 20.631 -13.439 1.00 0.00 C ATOM 22 C ASP A 188 -19.600 20.318 -14.305 1.00 0.00 C ATOM 23 O ASP A 188 -19.704 20.159 -15.522 1.00 0.00 O ATOM 24 CB ASP A 188 -21.397 19.359 -12.778 1.00 0.00 C ATOM 25 CG ASP A 188 -20.427 18.701 -11.791 1.00 0.00 C ATOM 26 OD1 ASP A 188 -19.809 19.450 -11.001 1.00 0.00 O ATOM 27 OD2 ASP A 188 -20.318 17.457 -11.841 1.00 0.00 O ATOM 0 H ASP A 188 -22.711 20.661 -14.348 1.00 0.00 H new ATOM 0 HA ASP A 188 -20.496 21.322 -12.666 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -22.320 19.610 -12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -21.656 18.640 -13.555 1.00 0.00 H new ATOM 32 N MET A 189 -18.438 20.209 -13.650 1.00 0.00 N ATOM 33 CA MET A 189 -17.141 19.924 -14.258 1.00 0.00 C ATOM 34 C MET A 189 -16.389 18.937 -13.346 1.00 0.00 C ATOM 35 O MET A 189 -15.489 19.349 -12.610 1.00 0.00 O ATOM 36 CB MET A 189 -16.359 21.230 -14.501 1.00 0.00 C ATOM 37 CG MET A 189 -17.032 22.123 -15.550 1.00 0.00 C ATOM 38 SD MET A 189 -16.089 23.611 -15.971 1.00 0.00 S ATOM 39 CE MET A 189 -17.210 24.320 -17.204 1.00 0.00 C ATOM 0 H MET A 189 -18.378 20.323 -12.638 1.00 0.00 H new ATOM 0 HA MET A 189 -17.265 19.462 -15.237 1.00 0.00 H new ATOM 0 HB2 MET A 189 -16.271 21.778 -13.563 1.00 0.00 H new ATOM 0 HB3 MET A 189 -15.347 20.990 -14.827 1.00 0.00 H new ATOM 0 HG2 MET A 189 -17.194 21.540 -16.457 1.00 0.00 H new ATOM 0 HG3 MET A 189 -18.014 22.420 -15.182 1.00 0.00 H new ATOM 0 HE1 MET A 189 -16.792 25.253 -17.582 1.00 0.00 H new ATOM 0 HE2 MET A 189 -17.335 23.618 -18.028 1.00 0.00 H new ATOM 0 HE3 MET A 189 -18.179 24.516 -16.745 1.00 0.00 H new ATOM 49 N PRO A 190 -16.783 17.646 -13.336 1.00 0.00 N ATOM 50 CA PRO A 190 -16.236 16.640 -12.429 1.00 0.00 C ATOM 51 C PRO A 190 -14.794 16.250 -12.790 1.00 0.00 C ATOM 52 O PRO A 190 -14.315 16.519 -13.893 1.00 0.00 O ATOM 53 CB PRO A 190 -17.196 15.450 -12.526 1.00 0.00 C ATOM 54 CG PRO A 190 -17.729 15.542 -13.953 1.00 0.00 C ATOM 55 CD PRO A 190 -17.792 17.049 -14.203 1.00 0.00 C ATOM 0 HA PRO A 190 -16.166 17.019 -11.409 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -16.683 14.505 -12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -17.999 15.520 -11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -17.069 15.043 -14.663 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -18.710 15.076 -14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -17.592 17.279 -15.249 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -18.783 17.441 -13.974 1.00 0.00 H new ATOM 63 N VAL A 191 -14.117 15.598 -11.836 1.00 0.00 N ATOM 64 CA VAL A 191 -12.714 15.192 -11.904 1.00 0.00 C ATOM 65 C VAL A 191 -12.590 13.795 -11.254 1.00 0.00 C ATOM 66 O VAL A 191 -13.600 13.175 -10.914 1.00 0.00 O ATOM 67 CB VAL A 191 -11.788 16.256 -11.236 1.00 0.00 C ATOM 68 CG1 VAL A 191 -10.424 16.318 -11.952 1.00 0.00 C ATOM 69 CG2 VAL A 191 -12.333 17.699 -11.222 1.00 0.00 C ATOM 0 H VAL A 191 -14.556 15.328 -10.956 1.00 0.00 H new ATOM 0 HA VAL A 191 -12.383 15.128 -12.940 1.00 0.00 H new ATOM 0 HB VAL A 191 -11.716 15.913 -10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -9.794 17.066 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -9.939 15.344 -11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -10.574 16.588 -12.997 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -11.612 18.356 -10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -12.498 18.036 -12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -13.275 17.727 -10.675 1.00 0.00 H new ATOM 79 N ASP A 192 -11.348 13.312 -11.096 1.00 0.00 N ATOM 80 CA ASP A 192 -10.943 12.002 -10.566 1.00 0.00 C ATOM 81 C ASP A 192 -11.324 10.831 -11.500 1.00 0.00 C ATOM 82 O ASP A 192 -12.265 10.951 -12.287 1.00 0.00 O ATOM 83 CB ASP A 192 -11.454 11.814 -9.121 1.00 0.00 C ATOM 84 CG ASP A 192 -10.934 12.912 -8.192 1.00 0.00 C ATOM 85 OD1 ASP A 192 -9.737 12.831 -7.834 1.00 0.00 O ATOM 86 OD2 ASP A 192 -11.732 13.816 -7.861 1.00 0.00 O ATOM 0 H ASP A 192 -10.537 13.873 -11.357 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.854 11.987 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -12.544 11.819 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -11.138 10.840 -8.747 1.00 0.00 H new ATOM 91 N PRO A 193 -10.612 9.683 -11.443 1.00 0.00 N ATOM 92 CA PRO A 193 -10.906 8.531 -12.291 1.00 0.00 C ATOM 93 C PRO A 193 -12.244 7.885 -11.913 1.00 0.00 C ATOM 94 O PRO A 193 -12.604 7.812 -10.738 1.00 0.00 O ATOM 95 CB PRO A 193 -9.733 7.561 -12.107 1.00 0.00 C ATOM 96 CG PRO A 193 -9.193 7.910 -10.723 1.00 0.00 C ATOM 97 CD PRO A 193 -9.426 9.417 -10.635 1.00 0.00 C ATOM 0 HA PRO A 193 -11.009 8.824 -13.336 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -10.059 6.522 -12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -8.976 7.697 -12.879 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -9.722 7.373 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -8.137 7.658 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -9.578 9.730 -9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -8.565 9.969 -11.011 1.00 0.00 H new ATOM 105 N ASN A 194 -12.953 7.382 -12.934 1.00 0.00 N ATOM 106 CA ASN A 194 -14.229 6.681 -12.794 1.00 0.00 C ATOM 107 C ASN A 194 -14.096 5.341 -12.043 1.00 0.00 C ATOM 108 O ASN A 194 -15.089 4.833 -11.526 1.00 0.00 O ATOM 109 CB ASN A 194 -14.809 6.467 -14.202 1.00 0.00 C ATOM 110 CG ASN A 194 -16.229 5.905 -14.174 1.00 0.00 C ATOM 111 OD1 ASN A 194 -17.157 6.571 -13.724 1.00 0.00 O ATOM 112 ND2 ASN A 194 -16.414 4.677 -14.657 1.00 0.00 N ATOM 0 H ASN A 194 -12.643 7.456 -13.903 1.00 0.00 H new ATOM 0 HA ASN A 194 -14.900 7.291 -12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -14.808 7.416 -14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -14.164 5.786 -14.757 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -17.347 4.265 -14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -15.622 4.149 -15.024 1.00 0.00 H new ATOM 119 N GLU A 195 -12.877 4.784 -11.971 1.00 0.00 N ATOM 120 CA GLU A 195 -12.576 3.516 -11.320 1.00 0.00 C ATOM 121 C GLU A 195 -11.179 3.618 -10.675 1.00 0.00 C ATOM 122 O GLU A 195 -10.190 3.226 -11.297 1.00 0.00 O ATOM 123 CB GLU A 195 -12.697 2.376 -12.350 1.00 0.00 C ATOM 124 CG GLU A 195 -12.705 1.001 -11.670 1.00 0.00 C ATOM 125 CD GLU A 195 -12.629 -0.131 -12.693 1.00 0.00 C ATOM 126 OE1 GLU A 195 -13.682 -0.427 -13.301 1.00 0.00 O ATOM 127 OE2 GLU A 195 -11.517 -0.683 -12.855 1.00 0.00 O ATOM 0 H GLU A 195 -12.053 5.224 -12.380 1.00 0.00 H new ATOM 0 HA GLU A 195 -13.285 3.291 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -13.612 2.502 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -11.866 2.430 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -11.862 0.929 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -13.612 0.894 -11.074 1.00 0.00 H new ATOM 134 N PRO A 196 -11.064 4.189 -9.456 1.00 0.00 N ATOM 135 CA PRO A 196 -9.792 4.322 -8.750 1.00 0.00 C ATOM 136 C PRO A 196 -9.280 2.947 -8.303 1.00 0.00 C ATOM 137 O PRO A 196 -9.959 2.235 -7.562 1.00 0.00 O ATOM 138 CB PRO A 196 -10.074 5.250 -7.563 1.00 0.00 C ATOM 139 CG PRO A 196 -11.564 5.061 -7.289 1.00 0.00 C ATOM 140 CD PRO A 196 -12.147 4.763 -8.668 1.00 0.00 C ATOM 0 HA PRO A 196 -9.008 4.737 -9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -9.472 4.981 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -9.841 6.287 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -11.743 4.242 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -12.008 5.955 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -12.984 4.069 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -12.527 5.672 -9.134 1.00 0.00 H new ATOM 148 N THR A 197 -8.076 2.585 -8.769 1.00 0.00 N ATOM 149 CA THR A 197 -7.422 1.296 -8.546 1.00 0.00 C ATOM 150 C THR A 197 -5.906 1.515 -8.519 1.00 0.00 C ATOM 151 O THR A 197 -5.393 2.242 -9.372 1.00 0.00 O ATOM 152 CB THR A 197 -7.776 0.316 -9.679 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.393 0.798 -10.951 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.267 -0.026 -9.750 1.00 0.00 C ATOM 0 H THR A 197 -7.509 3.215 -9.337 1.00 0.00 H new ATOM 0 HA THR A 197 -7.761 0.875 -7.600 1.00 0.00 H new ATOM 0 HB THR A 197 -7.213 -0.583 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 197 -6.646 1.425 -10.852 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.442 -0.721 -10.571 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.580 -0.486 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.842 0.885 -9.917 1.00 0.00 H new ATOM 162 N TYR A 198 -5.186 0.904 -7.556 1.00 0.00 N ATOM 163 CA TYR A 198 -3.741 1.149 -7.428 1.00 0.00 C ATOM 164 C TYR A 198 -2.935 0.043 -6.725 1.00 0.00 C ATOM 165 O TYR A 198 -1.824 -0.198 -7.199 1.00 0.00 O ATOM 166 CB TYR A 198 -3.414 2.490 -6.743 1.00 0.00 C ATOM 167 CG TYR A 198 -4.216 3.725 -7.125 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.461 3.986 -6.516 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.717 4.618 -8.095 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.210 5.118 -6.878 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.464 5.750 -8.468 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.716 6.003 -7.862 1.00 0.00 C ATOM 173 OH TYR A 198 -6.446 7.097 -8.225 1.00 0.00 O ATOM 0 H TYR A 198 -5.573 0.253 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.426 1.168 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.522 2.346 -5.668 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.363 2.708 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.842 3.310 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.757 4.432 -8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.161 5.311 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.081 6.426 -9.218 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.962 7.600 -8.912 1.00 0.00 H new ATOM 183 N CYS A 199 -3.421 -0.645 -5.660 1.00 0.00 N ATOM 184 CA CYS A 199 -2.702 -1.840 -5.166 1.00 0.00 C ATOM 185 C CYS A 199 -2.457 -2.866 -6.283 1.00 0.00 C ATOM 186 O CYS A 199 -2.986 -2.785 -7.393 1.00 0.00 O ATOM 187 CB CYS A 199 -3.301 -2.553 -3.923 1.00 0.00 C ATOM 188 SG CYS A 199 -1.876 -3.208 -2.979 1.00 0.00 S ATOM 0 H CYS A 199 -4.270 -0.405 -5.148 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.759 -1.417 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.883 -1.858 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.974 -3.357 -4.221 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.909 -4.508 -2.989 1.00 0.00 H new ATOM 193 N LEU A 200 -1.706 -3.900 -5.913 1.00 0.00 N ATOM 194 CA LEU A 200 -1.464 -5.106 -6.699 1.00 0.00 C ATOM 195 C LEU A 200 -2.768 -5.876 -6.954 1.00 0.00 C ATOM 196 O LEU A 200 -2.774 -6.846 -7.709 1.00 0.00 O ATOM 197 CB LEU A 200 -0.457 -6.022 -5.971 1.00 0.00 C ATOM 198 CG LEU A 200 0.705 -5.312 -5.249 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.570 -6.338 -4.503 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.587 -4.496 -6.207 1.00 0.00 C ATOM 0 H LEU A 200 -1.226 -3.920 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.051 -4.800 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.002 -6.619 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.036 -6.716 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 200 0.257 -4.614 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.388 -5.825 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.960 -6.862 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.977 -7.056 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.389 -4.018 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.016 -5.158 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.982 -3.733 -6.697 1.00 0.00 H new ATOM 212 N CYS A 201 -3.863 -5.439 -6.314 1.00 0.00 N ATOM 213 CA CYS A 201 -5.183 -5.999 -6.421 1.00 0.00 C ATOM 214 C CYS A 201 -6.062 -5.252 -7.431 1.00 0.00 C ATOM 215 O CYS A 201 -7.143 -5.741 -7.756 1.00 0.00 O ATOM 216 CB CYS A 201 -5.802 -5.841 -5.045 1.00 0.00 C ATOM 217 SG CYS A 201 -5.081 -6.983 -3.841 1.00 0.00 S ATOM 0 H CYS A 201 -3.830 -4.642 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.116 -7.032 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.663 -4.816 -4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.876 -6.013 -5.109 1.00 0.00 H new ATOM 222 N HIS A 202 -5.612 -4.065 -7.872 1.00 0.00 N ATOM 223 CA HIS A 202 -6.317 -3.115 -8.722 1.00 0.00 C ATOM 224 C HIS A 202 -7.773 -2.900 -8.277 1.00 0.00 C ATOM 225 O HIS A 202 -8.702 -2.987 -9.078 1.00 0.00 O ATOM 226 CB HIS A 202 -6.108 -3.438 -10.214 1.00 0.00 C ATOM 227 CG HIS A 202 -6.576 -4.805 -10.655 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.867 -5.169 -10.958 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.797 -5.921 -10.813 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.861 -6.473 -11.282 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.619 -6.980 -11.210 1.00 0.00 N ATOM 0 H HIS A 202 -4.682 -3.730 -7.622 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.870 -2.129 -8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.629 -2.686 -10.807 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.046 -3.345 -10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.730 -5.974 -10.657 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.738 -7.038 -11.563 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.334 -7.940 -11.405 1.00 0.00 H new ATOM 239 N GLN A 203 -7.954 -2.643 -6.972 1.00 0.00 N ATOM 240 CA GLN A 203 -9.229 -2.324 -6.345 1.00 0.00 C ATOM 241 C GLN A 203 -8.937 -1.719 -4.973 1.00 0.00 C ATOM 242 O GLN A 203 -7.954 -2.086 -4.335 1.00 0.00 O ATOM 243 CB GLN A 203 -10.127 -3.573 -6.230 1.00 0.00 C ATOM 244 CG GLN A 203 -9.587 -4.635 -5.262 1.00 0.00 C ATOM 245 CD GLN A 203 -10.262 -5.989 -5.457 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.187 -6.340 -4.731 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.798 -6.765 -6.436 1.00 0.00 N ATOM 0 H GLN A 203 -7.181 -2.654 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.777 -1.608 -6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.120 -3.266 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.242 -4.019 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.512 -4.743 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.739 -4.300 -4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.027 -6.442 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.213 -7.682 -6.600 1.00 0.00 H new ATOM 256 N VAL A 204 -9.813 -0.810 -4.548 1.00 0.00 N ATOM 257 CA VAL A 204 -9.785 -0.070 -3.271 1.00 0.00 C ATOM 258 C VAL A 204 -11.185 -0.054 -2.615 1.00 0.00 C ATOM 259 O VAL A 204 -12.153 -0.537 -3.203 1.00 0.00 O ATOM 260 CB VAL A 204 -9.175 1.354 -3.425 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.443 1.787 -2.130 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.187 1.473 -4.597 1.00 0.00 C ATOM 0 H VAL A 204 -10.617 -0.548 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.117 -0.602 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.023 2.008 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.026 2.785 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.149 1.797 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.639 1.084 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.801 2.491 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.361 0.778 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.698 1.234 -5.530 1.00 0.00 H new ATOM 272 N SER A 205 -11.280 0.489 -1.389 1.00 0.00 N ATOM 273 CA SER A 205 -12.474 0.519 -0.533 1.00 0.00 C ATOM 274 C SER A 205 -12.940 -0.889 -0.111 1.00 0.00 C ATOM 275 O SER A 205 -14.028 -1.340 -0.470 1.00 0.00 O ATOM 276 CB SER A 205 -13.570 1.397 -1.156 1.00 0.00 C ATOM 277 OG SER A 205 -14.553 1.707 -0.192 1.00 0.00 O ATOM 0 H SER A 205 -10.481 0.943 -0.946 1.00 0.00 H new ATOM 0 HA SER A 205 -12.206 0.997 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.132 2.315 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.027 0.878 -1.998 1.00 0.00 H new ATOM 0 HG SER A 205 -15.245 2.268 -0.600 1.00 0.00 H new ATOM 283 N TYR A 206 -12.063 -1.592 0.621 1.00 0.00 N ATOM 284 CA TYR A 206 -12.197 -2.988 1.037 1.00 0.00 C ATOM 285 C TYR A 206 -11.215 -3.256 2.186 1.00 0.00 C ATOM 286 O TYR A 206 -9.998 -3.294 1.988 1.00 0.00 O ATOM 287 CB TYR A 206 -11.986 -3.974 -0.140 1.00 0.00 C ATOM 288 CG TYR A 206 -10.599 -4.075 -0.775 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.850 -2.916 -1.044 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.046 -5.331 -1.115 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.577 -2.999 -1.594 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.767 -5.420 -1.708 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.027 -4.237 -1.947 1.00 0.00 C ATOM 294 OH TYR A 206 -6.804 -4.225 -2.549 1.00 0.00 O ATOM 0 H TYR A 206 -11.194 -1.175 0.955 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.216 -3.157 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.263 -4.969 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.691 -3.705 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.271 -1.947 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.608 -6.232 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.004 -2.097 -1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.357 -6.382 -1.977 1.00 0.00 H new ATOM 304 N GLY A 207 -11.752 -3.425 3.401 1.00 0.00 N ATOM 305 CA GLY A 207 -10.992 -3.630 4.611 1.00 0.00 C ATOM 306 C GLY A 207 -10.054 -2.470 4.935 1.00 0.00 C ATOM 307 O GLY A 207 -10.196 -1.338 4.475 1.00 0.00 O ATOM 0 H GLY A 207 -12.760 -3.420 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.680 -3.776 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.408 -4.545 4.515 1.00 0.00 H new ATOM 311 N GLU A 208 -9.090 -2.835 5.768 1.00 0.00 N ATOM 312 CA GLU A 208 -7.910 -2.065 6.148 1.00 0.00 C ATOM 313 C GLU A 208 -6.964 -1.845 4.949 1.00 0.00 C ATOM 314 O GLU A 208 -6.865 -2.683 4.052 1.00 0.00 O ATOM 315 CB GLU A 208 -7.209 -2.731 7.350 1.00 0.00 C ATOM 316 CG GLU A 208 -7.018 -4.261 7.279 1.00 0.00 C ATOM 317 CD GLU A 208 -8.275 -5.055 7.645 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.616 -5.066 8.848 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.879 -5.634 6.714 1.00 0.00 O ATOM 0 H GLU A 208 -9.112 -3.744 6.231 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.225 -1.070 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.228 -2.271 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.781 -2.501 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.708 -4.533 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.209 -4.549 7.950 1.00 0.00 H new ATOM 326 N MET A 209 -6.281 -0.688 4.943 1.00 0.00 N ATOM 327 CA MET A 209 -5.516 -0.137 3.814 1.00 0.00 C ATOM 328 C MET A 209 -4.347 0.718 4.331 1.00 0.00 C ATOM 329 O MET A 209 -4.385 1.191 5.468 1.00 0.00 O ATOM 330 CB MET A 209 -6.471 0.733 2.971 1.00 0.00 C ATOM 331 CG MET A 209 -7.624 -0.075 2.351 1.00 0.00 C ATOM 332 SD MET A 209 -8.686 0.804 1.178 1.00 0.00 S ATOM 333 CE MET A 209 -9.524 1.958 2.295 1.00 0.00 C ATOM 0 H MET A 209 -6.246 -0.084 5.764 1.00 0.00 H new ATOM 0 HA MET A 209 -5.105 -0.946 3.210 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.884 1.523 3.598 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.906 1.219 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.199 -0.941 1.844 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.249 -0.454 3.160 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.231 2.564 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.059 1.398 3.062 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.787 2.607 2.768 1.00 0.00 H new ATOM 343 N ILE A 210 -3.317 0.930 3.492 1.00 0.00 N ATOM 344 CA ILE A 210 -2.109 1.674 3.844 1.00 0.00 C ATOM 345 C ILE A 210 -1.697 2.560 2.658 1.00 0.00 C ATOM 346 O ILE A 210 -2.536 3.271 2.107 1.00 0.00 O ATOM 347 CB ILE A 210 -1.034 0.717 4.450 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.136 1.402 5.200 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.482 -0.386 3.527 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.305 2.297 6.365 1.00 0.00 C ATOM 0 H ILE A 210 -3.308 0.580 2.534 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.278 2.382 4.655 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.659 0.218 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.809 0.634 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.706 2.002 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.255 -0.979 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.299 -1.031 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.011 0.070 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.573 2.739 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.953 3.089 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.849 1.700 7.097 1.00 0.00 H new ATOM 362 N GLY A 211 -0.413 2.557 2.307 1.00 0.00 N ATOM 363 CA GLY A 211 0.226 3.460 1.370 1.00 0.00 C ATOM 364 C GLY A 211 1.668 3.763 1.724 1.00 0.00 C ATOM 365 O GLY A 211 1.993 4.020 2.883 1.00 0.00 O ATOM 0 H GLY A 211 0.244 1.880 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.187 3.025 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.336 4.393 1.333 1.00 0.00 H new ATOM 369 N CYS A 212 2.516 3.733 0.687 1.00 0.00 N ATOM 370 CA CYS A 212 3.936 4.046 0.815 1.00 0.00 C ATOM 371 C CYS A 212 4.091 5.510 1.220 1.00 0.00 C ATOM 372 O CYS A 212 3.613 6.396 0.511 1.00 0.00 O ATOM 373 CB CYS A 212 4.791 3.710 -0.430 1.00 0.00 C ATOM 374 SG CYS A 212 6.509 3.637 0.171 1.00 0.00 S ATOM 0 H CYS A 212 2.232 3.490 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 212 4.331 3.392 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.488 2.760 -0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.677 4.470 -1.202 1.00 0.00 H new ATOM 0 HG CYS A 212 7.320 3.552 -0.842 1.00 0.00 H new ATOM 379 N ASP A 213 4.809 5.747 2.329 1.00 0.00 N ATOM 380 CA ASP A 213 5.233 7.073 2.777 1.00 0.00 C ATOM 381 C ASP A 213 6.198 7.768 1.788 1.00 0.00 C ATOM 382 O ASP A 213 6.655 8.877 2.058 1.00 0.00 O ATOM 383 CB ASP A 213 5.850 6.952 4.175 1.00 0.00 C ATOM 384 CG ASP A 213 4.817 6.595 5.248 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.365 5.430 5.261 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.522 7.490 6.071 1.00 0.00 O ATOM 0 H ASP A 213 5.116 4.999 2.951 1.00 0.00 H new ATOM 0 HA ASP A 213 4.352 7.714 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.629 6.190 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.331 7.894 4.438 1.00 0.00 H new ATOM 391 N ASP A 214 6.504 7.119 0.653 1.00 0.00 N ATOM 392 CA ASP A 214 7.175 7.652 -0.520 1.00 0.00 C ATOM 393 C ASP A 214 6.278 8.746 -1.123 1.00 0.00 C ATOM 394 O ASP A 214 5.205 8.415 -1.634 1.00 0.00 O ATOM 395 CB ASP A 214 7.319 6.431 -1.435 1.00 0.00 C ATOM 396 CG ASP A 214 7.707 6.627 -2.888 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.289 7.677 -3.231 1.00 0.00 O ATOM 398 OD2 ASP A 214 7.363 5.671 -3.628 1.00 0.00 O ATOM 0 H ASP A 214 6.266 6.134 0.533 1.00 0.00 H new ATOM 0 HA ASP A 214 8.145 8.113 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.061 5.772 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.368 5.898 -1.420 1.00 0.00 H new ATOM 403 N PRO A 215 6.676 10.034 -1.074 1.00 0.00 N ATOM 404 CA PRO A 215 5.861 11.149 -1.557 1.00 0.00 C ATOM 405 C PRO A 215 5.898 11.299 -3.087 1.00 0.00 C ATOM 406 O PRO A 215 5.416 12.297 -3.622 1.00 0.00 O ATOM 407 CB PRO A 215 6.436 12.377 -0.842 1.00 0.00 C ATOM 408 CG PRO A 215 7.926 12.052 -0.782 1.00 0.00 C ATOM 409 CD PRO A 215 7.936 10.541 -0.546 1.00 0.00 C ATOM 0 HA PRO A 215 4.804 10.998 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.243 13.297 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 215 6.008 12.506 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.436 12.320 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.425 12.590 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.783 10.075 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 215 8.031 10.314 0.516 1.00 0.00 H new ATOM 417 N ASP A 216 6.445 10.293 -3.776 1.00 0.00 N ATOM 418 CA ASP A 216 6.494 10.174 -5.223 1.00 0.00 C ATOM 419 C ASP A 216 5.964 8.793 -5.651 1.00 0.00 C ATOM 420 O ASP A 216 6.068 8.440 -6.825 1.00 0.00 O ATOM 421 CB ASP A 216 7.938 10.445 -5.684 1.00 0.00 C ATOM 422 CG ASP A 216 8.072 10.609 -7.200 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.409 11.525 -7.738 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.849 9.831 -7.796 1.00 0.00 O ATOM 0 H ASP A 216 6.887 9.502 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 216 5.850 10.909 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.304 11.347 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.576 9.624 -5.357 1.00 0.00 H new ATOM 429 N CYS A 217 5.382 8.010 -4.717 1.00 0.00 N ATOM 430 CA CYS A 217 4.800 6.713 -5.027 1.00 0.00 C ATOM 431 C CYS A 217 3.724 6.808 -6.114 1.00 0.00 C ATOM 432 O CYS A 217 2.728 7.518 -5.974 1.00 0.00 O ATOM 433 CB CYS A 217 4.240 6.105 -3.745 1.00 0.00 C ATOM 434 SG CYS A 217 3.812 4.367 -4.015 1.00 0.00 S ATOM 0 H CYS A 217 5.309 8.270 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 217 5.580 6.066 -5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 217 4.975 6.186 -2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.357 6.659 -3.426 1.00 0.00 H new ATOM 440 N SER A 218 3.950 6.036 -7.181 1.00 0.00 N ATOM 441 CA SER A 218 3.122 5.951 -8.388 1.00 0.00 C ATOM 442 C SER A 218 1.813 5.171 -8.175 1.00 0.00 C ATOM 443 O SER A 218 1.035 5.012 -9.113 1.00 0.00 O ATOM 444 CB SER A 218 3.935 5.288 -9.511 1.00 0.00 C ATOM 445 OG SER A 218 5.134 5.992 -9.763 1.00 0.00 O ATOM 0 H SER A 218 4.761 5.419 -7.228 1.00 0.00 H new ATOM 0 HA SER A 218 2.841 6.970 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.166 4.259 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.336 5.248 -10.421 1.00 0.00 H new ATOM 0 HG SER A 218 5.631 5.546 -10.481 1.00 0.00 H new ATOM 451 N ILE A 219 1.583 4.681 -6.950 1.00 0.00 N ATOM 452 CA ILE A 219 0.453 3.848 -6.547 1.00 0.00 C ATOM 453 C ILE A 219 -0.205 4.450 -5.290 1.00 0.00 C ATOM 454 O ILE A 219 -1.428 4.426 -5.179 1.00 0.00 O ATOM 455 CB ILE A 219 0.971 2.393 -6.378 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.026 1.699 -7.759 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.141 1.602 -5.363 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.692 0.316 -7.748 1.00 0.00 C ATOM 0 H ILE A 219 2.218 4.868 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.336 3.820 -7.299 1.00 0.00 H new ATOM 0 HB ILE A 219 1.981 2.428 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.010 1.597 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.565 2.343 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.539 0.591 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.188 2.094 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.896 1.557 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.688 -0.098 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.720 0.410 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.142 -0.348 -7.081 1.00 0.00 H new ATOM 470 N GLU A 220 0.605 5.047 -4.402 1.00 0.00 N ATOM 471 CA GLU A 220 0.232 5.870 -3.244 1.00 0.00 C ATOM 472 C GLU A 220 -0.435 5.120 -2.077 1.00 0.00 C ATOM 473 O GLU A 220 -0.296 5.553 -0.936 1.00 0.00 O ATOM 474 CB GLU A 220 -0.503 7.150 -3.713 1.00 0.00 C ATOM 475 CG GLU A 220 -2.003 7.272 -3.381 1.00 0.00 C ATOM 476 CD GLU A 220 -2.292 7.748 -1.952 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.672 8.753 -1.537 1.00 0.00 O ATOM 478 OE2 GLU A 220 -3.154 7.119 -1.302 1.00 0.00 O ATOM 0 H GLU A 220 1.618 4.959 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 220 1.162 6.184 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.008 8.009 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.391 7.225 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.464 7.966 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.478 6.302 -3.532 1.00 0.00 H new ATOM 485 N TRP A 221 -1.092 3.983 -2.341 1.00 0.00 N ATOM 486 CA TRP A 221 -1.823 3.172 -1.374 1.00 0.00 C ATOM 487 C TRP A 221 -1.618 1.686 -1.709 1.00 0.00 C ATOM 488 O TRP A 221 -1.498 1.306 -2.871 1.00 0.00 O ATOM 489 CB TRP A 221 -3.292 3.596 -1.336 1.00 0.00 C ATOM 490 CG TRP A 221 -4.193 2.687 -2.057 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.521 2.752 -3.356 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.728 1.448 -1.543 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.152 1.579 -3.708 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.266 0.718 -2.634 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.702 0.840 -0.275 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.740 -0.588 -2.475 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.223 -0.450 -0.101 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.700 -1.177 -1.198 1.00 0.00 C ATOM 0 H TRP A 221 -1.126 3.590 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.439 3.329 -0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.614 3.662 -0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.383 4.595 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.324 3.584 -4.015 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.493 1.372 -4.647 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.280 1.368 0.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.131 -1.136 -3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.257 -0.886 0.887 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.039 -2.194 -1.064 1.00 0.00 H new ATOM 509 N PHE A 222 -1.624 0.836 -0.679 1.00 0.00 N ATOM 510 CA PHE A 222 -1.390 -0.605 -0.802 1.00 0.00 C ATOM 511 C PHE A 222 -2.218 -1.319 0.250 1.00 0.00 C ATOM 512 O PHE A 222 -2.576 -0.739 1.272 1.00 0.00 O ATOM 513 CB PHE A 222 0.084 -0.960 -0.562 1.00 0.00 C ATOM 514 CG PHE A 222 1.029 -0.425 -1.608 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.514 0.886 -1.481 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.411 -1.218 -2.707 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.345 1.427 -2.466 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.269 -0.685 -3.683 1.00 0.00 C ATOM 519 CZ PHE A 222 2.725 0.639 -3.562 1.00 0.00 C ATOM 0 H PHE A 222 -1.795 1.135 0.281 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.666 -0.910 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.384 -0.576 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.182 -2.045 -0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.244 1.479 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.046 -2.230 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.693 2.446 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.577 -1.290 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.374 1.053 -4.320 1.00 0.00 H new ATOM 529 N HIS A 223 -2.515 -2.592 0.001 1.00 0.00 N ATOM 530 CA HIS A 223 -3.383 -3.364 0.862 1.00 0.00 C ATOM 531 C HIS A 223 -2.595 -3.914 2.049 1.00 0.00 C ATOM 532 O HIS A 223 -1.442 -4.325 1.919 1.00 0.00 O ATOM 533 CB HIS A 223 -4.064 -4.449 0.018 1.00 0.00 C ATOM 534 CG HIS A 223 -5.367 -4.976 0.556 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.852 -6.257 0.295 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.301 -4.275 1.265 1.00 0.00 C ATOM 537 CE1 HIS A 223 -7.051 -6.310 0.900 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.349 -5.134 1.482 1.00 0.00 N ATOM 0 H HIS A 223 -2.158 -3.109 -0.803 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.168 -2.741 1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.240 -4.049 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.373 -5.285 -0.091 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.229 -3.248 1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.690 -7.180 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.204 -4.919 1.995 1.00 0.00 H new ATOM 546 N PHE A 224 -3.274 -3.945 3.196 1.00 0.00 N ATOM 547 CA PHE A 224 -2.851 -4.583 4.448 1.00 0.00 C ATOM 548 C PHE A 224 -2.591 -6.096 4.325 1.00 0.00 C ATOM 549 O PHE A 224 -2.138 -6.701 5.295 1.00 0.00 O ATOM 550 CB PHE A 224 -3.924 -4.327 5.521 1.00 0.00 C ATOM 551 CG PHE A 224 -3.553 -3.356 6.625 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.202 -2.028 6.319 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.665 -3.753 7.971 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.983 -1.101 7.355 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.489 -2.817 9.000 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.141 -1.491 8.694 1.00 0.00 C ATOM 0 H PHE A 224 -4.188 -3.500 3.284 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.895 -4.137 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.821 -3.955 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.185 -5.281 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.101 -1.720 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.887 -4.782 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.693 -0.088 7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.621 -3.116 10.029 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.995 -0.773 9.487 1.00 0.00 H new ATOM 566 N ALA A 225 -2.851 -6.696 3.155 1.00 0.00 N ATOM 567 CA ALA A 225 -2.541 -8.075 2.832 1.00 0.00 C ATOM 568 C ALA A 225 -1.672 -8.195 1.570 1.00 0.00 C ATOM 569 O ALA A 225 -1.152 -9.280 1.313 1.00 0.00 O ATOM 570 CB ALA A 225 -3.844 -8.871 2.713 1.00 0.00 C ATOM 0 H ALA A 225 -3.302 -6.204 2.383 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.944 -8.497 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.616 -9.909 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.383 -8.830 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.462 -8.441 1.925 1.00 0.00 H new ATOM 576 N CYS A 226 -1.452 -7.098 0.819 1.00 0.00 N ATOM 577 CA CYS A 226 -0.454 -7.048 -0.250 1.00 0.00 C ATOM 578 C CYS A 226 0.984 -6.908 0.282 1.00 0.00 C ATOM 579 O CYS A 226 1.933 -6.932 -0.502 1.00 0.00 O ATOM 580 CB CYS A 226 -0.801 -5.923 -1.203 1.00 0.00 C ATOM 581 SG CYS A 226 -2.015 -6.526 -2.405 1.00 0.00 S ATOM 0 H CYS A 226 -1.965 -6.225 0.942 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.481 -7.999 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.205 -5.074 -0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.095 -5.573 -1.715 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.194 -6.077 -2.093 1.00 0.00 H new ATOM 587 N VAL A 227 1.133 -6.798 1.608 1.00 0.00 N ATOM 588 CA VAL A 227 2.391 -6.841 2.352 1.00 0.00 C ATOM 589 C VAL A 227 2.291 -7.811 3.549 1.00 0.00 C ATOM 590 O VAL A 227 3.265 -8.017 4.269 1.00 0.00 O ATOM 591 CB VAL A 227 2.786 -5.400 2.738 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.781 -4.777 3.718 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.216 -5.302 3.297 1.00 0.00 C ATOM 0 H VAL A 227 0.330 -6.669 2.223 1.00 0.00 H new ATOM 0 HA VAL A 227 3.193 -7.242 1.733 1.00 0.00 H new ATOM 0 HB VAL A 227 2.762 -4.827 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.095 -3.763 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.793 -4.749 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.741 -5.376 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.437 -4.265 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.300 -5.920 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.925 -5.651 2.546 1.00 0.00 H new ATOM 603 N GLY A 228 1.112 -8.421 3.749 1.00 0.00 N ATOM 604 CA GLY A 228 0.805 -9.309 4.866 1.00 0.00 C ATOM 605 C GLY A 228 0.890 -8.610 6.228 1.00 0.00 C ATOM 606 O GLY A 228 1.333 -9.234 7.190 1.00 0.00 O ATOM 0 H GLY A 228 0.324 -8.301 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.198 -9.716 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.495 -10.152 4.853 1.00 0.00 H new ATOM 610 N LEU A 229 0.529 -7.318 6.294 1.00 0.00 N ATOM 611 CA LEU A 229 0.678 -6.494 7.493 1.00 0.00 C ATOM 612 C LEU A 229 -0.205 -7.000 8.635 1.00 0.00 C ATOM 613 O LEU A 229 0.305 -7.239 9.726 1.00 0.00 O ATOM 614 CB LEU A 229 0.344 -5.013 7.192 1.00 0.00 C ATOM 615 CG LEU A 229 1.562 -4.068 7.220 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.098 -2.665 6.799 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.251 -3.989 8.593 1.00 0.00 C ATOM 0 H LEU A 229 0.122 -6.816 5.505 1.00 0.00 H new ATOM 0 HA LEU A 229 1.720 -6.567 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.126 -4.951 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.389 -4.663 7.919 1.00 0.00 H new ATOM 0 HG LEU A 229 2.302 -4.472 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.947 -1.982 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.682 -2.706 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.336 -2.311 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.098 -3.306 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.541 -3.625 9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.602 -4.980 8.881 1.00 0.00 H new ATOM 629 N THR A 230 -1.514 -7.150 8.364 1.00 0.00 N ATOM 630 CA THR A 230 -2.598 -7.497 9.297 1.00 0.00 C ATOM 631 C THR A 230 -2.651 -6.684 10.612 1.00 0.00 C ATOM 632 O THR A 230 -3.422 -7.034 11.504 1.00 0.00 O ATOM 633 CB THR A 230 -2.679 -9.023 9.528 1.00 0.00 C ATOM 634 OG1 THR A 230 -1.561 -9.507 10.242 1.00 0.00 O ATOM 635 CG2 THR A 230 -2.806 -9.809 8.215 1.00 0.00 C ATOM 0 H THR A 230 -1.867 -7.022 7.416 1.00 0.00 H new ATOM 0 HA THR A 230 -3.507 -7.181 8.786 1.00 0.00 H new ATOM 0 HB THR A 230 -3.581 -9.180 10.119 1.00 0.00 H new ATOM 0 HG1 THR A 230 -0.866 -8.816 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 230 -2.859 -10.876 8.433 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.711 -9.500 7.692 1.00 0.00 H new ATOM 0 HG23 THR A 230 -1.938 -9.610 7.586 1.00 0.00 H new ATOM 643 N THR A 231 -1.869 -5.599 10.737 1.00 0.00 N ATOM 644 CA THR A 231 -1.884 -4.657 11.856 1.00 0.00 C ATOM 645 C THR A 231 -1.320 -3.301 11.418 1.00 0.00 C ATOM 646 O THR A 231 -0.684 -3.173 10.372 1.00 0.00 O ATOM 647 CB THR A 231 -1.125 -5.221 13.079 1.00 0.00 C ATOM 648 OG1 THR A 231 -1.218 -4.368 14.202 1.00 0.00 O ATOM 649 CG2 THR A 231 0.360 -5.521 12.835 1.00 0.00 C ATOM 0 H THR A 231 -1.181 -5.348 10.027 1.00 0.00 H new ATOM 0 HA THR A 231 -2.919 -4.509 12.165 1.00 0.00 H new ATOM 0 HB THR A 231 -1.629 -6.169 13.270 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.727 -4.761 14.953 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.807 -5.912 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.456 -6.260 12.039 1.00 0.00 H new ATOM 0 HG23 THR A 231 0.873 -4.605 12.543 1.00 0.00 H new ATOM 657 N LYS A 232 -1.575 -2.294 12.257 1.00 0.00 N ATOM 658 CA LYS A 232 -1.109 -0.918 12.108 1.00 0.00 C ATOM 659 C LYS A 232 0.436 -0.912 12.126 1.00 0.00 C ATOM 660 O LYS A 232 1.015 -1.341 13.125 1.00 0.00 O ATOM 661 CB LYS A 232 -1.734 -0.083 13.244 1.00 0.00 C ATOM 662 CG LYS A 232 -1.778 1.436 13.017 1.00 0.00 C ATOM 663 CD LYS A 232 -0.403 2.119 13.029 1.00 0.00 C ATOM 664 CE LYS A 232 -0.512 3.646 13.065 1.00 0.00 C ATOM 665 NZ LYS A 232 -1.033 4.134 14.357 1.00 0.00 N ATOM 0 H LYS A 232 -2.139 -2.425 13.097 1.00 0.00 H new ATOM 0 HA LYS A 232 -1.416 -0.476 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -2.752 -0.435 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -1.177 -0.278 14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 232 -2.260 1.634 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -2.402 1.888 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 232 0.162 1.777 13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 232 0.157 1.818 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 232 0.469 4.084 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -1.166 3.982 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -0.871 5.159 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -2.053 3.939 14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -0.542 3.648 15.135 1.00 0.00 H new ATOM 679 N PRO A 233 1.114 -0.467 11.046 1.00 0.00 N ATOM 680 CA PRO A 233 2.572 -0.527 10.929 1.00 0.00 C ATOM 681 C PRO A 233 3.292 0.506 11.807 1.00 0.00 C ATOM 682 O PRO A 233 2.686 1.435 12.344 1.00 0.00 O ATOM 683 CB PRO A 233 2.867 -0.270 9.446 1.00 0.00 C ATOM 684 CG PRO A 233 1.700 0.600 8.992 1.00 0.00 C ATOM 685 CD PRO A 233 0.534 0.054 9.813 1.00 0.00 C ATOM 0 HA PRO A 233 2.939 -1.494 11.274 1.00 0.00 H new ATOM 0 HB2 PRO A 233 3.822 0.238 9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 233 2.917 -1.200 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 233 1.879 1.656 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 233 1.519 0.508 7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.193 0.838 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.008 -0.730 9.269 1.00 0.00 H new ATOM 693 N ARG A 234 4.622 0.354 11.902 1.00 0.00 N ATOM 694 CA ARG A 234 5.526 1.350 12.478 1.00 0.00 C ATOM 695 C ARG A 234 5.556 2.615 11.598 1.00 0.00 C ATOM 696 O ARG A 234 5.014 2.629 10.490 1.00 0.00 O ATOM 697 CB ARG A 234 6.937 0.736 12.629 1.00 0.00 C ATOM 698 CG ARG A 234 7.473 0.694 14.072 1.00 0.00 C ATOM 699 CD ARG A 234 7.799 2.065 14.687 1.00 0.00 C ATOM 700 NE ARG A 234 6.626 2.726 15.289 1.00 0.00 N ATOM 701 CZ ARG A 234 6.138 2.501 16.519 1.00 0.00 C ATOM 702 NH1 ARG A 234 6.688 1.607 17.345 1.00 0.00 N ATOM 703 NH2 ARG A 234 5.074 3.189 16.935 1.00 0.00 N ATOM 0 H ARG A 234 5.104 -0.482 11.573 1.00 0.00 H new ATOM 0 HA ARG A 234 5.168 1.643 13.465 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.920 -0.279 12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 234 7.634 1.306 12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.736 0.196 14.702 1.00 0.00 H new ATOM 0 HG3 ARG A 234 8.374 0.081 14.091 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.568 1.940 15.449 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.216 2.712 13.915 1.00 0.00 H new ATOM 0 HE ARG A 234 6.141 3.418 14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.503 1.071 17.047 1.00 0.00 H new ATOM 0 HH12 ARG A 234 6.293 1.460 18.274 1.00 0.00 H new ATOM 0 HH21 ARG A 234 4.640 3.878 16.320 1.00 0.00 H new ATOM 0 HH22 ARG A 234 4.694 3.027 17.868 1.00 0.00 H new ATOM 717 N GLY A 235 6.219 3.673 12.086 1.00 0.00 N ATOM 718 CA GLY A 235 6.405 4.914 11.345 1.00 0.00 C ATOM 719 C GLY A 235 7.174 4.692 10.039 1.00 0.00 C ATOM 720 O GLY A 235 8.040 3.819 9.966 1.00 0.00 O ATOM 0 H GLY A 235 6.642 3.685 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 235 5.432 5.353 11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 235 6.944 5.630 11.966 1.00 0.00 H new ATOM 724 N LYS A 236 6.848 5.514 9.030 1.00 0.00 N ATOM 725 CA LYS A 236 7.341 5.467 7.656 1.00 0.00 C ATOM 726 C LYS A 236 7.384 4.048 7.058 1.00 0.00 C ATOM 727 O LYS A 236 8.430 3.398 7.050 1.00 0.00 O ATOM 728 CB LYS A 236 8.662 6.249 7.548 1.00 0.00 C ATOM 729 CG LYS A 236 8.897 6.680 6.096 1.00 0.00 C ATOM 730 CD LYS A 236 10.119 7.591 5.954 1.00 0.00 C ATOM 731 CE LYS A 236 10.342 8.002 4.492 1.00 0.00 C ATOM 732 NZ LYS A 236 9.225 8.802 3.950 1.00 0.00 N ATOM 0 H LYS A 236 6.188 6.279 9.168 1.00 0.00 H new ATOM 0 HA LYS A 236 6.615 5.971 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 236 8.630 7.125 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 236 9.490 5.629 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 236 9.031 5.795 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 236 8.013 7.200 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 236 9.984 8.482 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 236 11.004 7.077 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 236 11.265 8.576 4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 236 10.472 7.108 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 9.496 9.195 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.387 8.196 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 9.004 9.579 4.605 1.00 0.00 H new ATOM 746 N TRP A 237 6.232 3.573 6.564 1.00 0.00 N ATOM 747 CA TRP A 237 6.097 2.273 5.907 1.00 0.00 C ATOM 748 C TRP A 237 6.548 2.385 4.440 1.00 0.00 C ATOM 749 O TRP A 237 6.531 3.471 3.857 1.00 0.00 O ATOM 750 CB TRP A 237 4.651 1.779 6.047 1.00 0.00 C ATOM 751 CG TRP A 237 4.315 0.476 5.376 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.402 -0.761 5.915 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.874 0.263 4.003 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.049 -1.711 4.976 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.723 -1.133 3.765 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.643 1.125 2.917 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.344 -1.637 2.508 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.298 0.634 1.644 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.125 -0.746 1.448 1.00 0.00 C ATOM 0 H TRP A 237 5.356 4.093 6.612 1.00 0.00 H new ATOM 0 HA TRP A 237 6.741 1.534 6.384 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.425 1.683 7.109 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.989 2.548 5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.703 -0.975 6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.031 -2.715 5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.733 2.191 3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.223 -2.700 2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 3.166 1.318 0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.823 -1.121 0.481 1.00 0.00 H new ATOM 770 N PHE A 238 6.928 1.248 3.838 1.00 0.00 N ATOM 771 CA PHE A 238 7.443 1.181 2.476 1.00 0.00 C ATOM 772 C PHE A 238 6.812 0.007 1.718 1.00 0.00 C ATOM 773 O PHE A 238 6.722 -1.099 2.252 1.00 0.00 O ATOM 774 CB PHE A 238 8.970 1.026 2.504 1.00 0.00 C ATOM 775 CG PHE A 238 9.716 2.191 3.132 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.857 3.402 2.428 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.267 2.067 4.422 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.559 4.477 3.002 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.964 3.143 4.997 1.00 0.00 C ATOM 780 CZ PHE A 238 11.114 4.346 4.286 1.00 0.00 C ATOM 0 H PHE A 238 6.883 0.338 4.297 1.00 0.00 H new ATOM 0 HA PHE A 238 7.184 2.105 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.219 0.116 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.327 0.892 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.425 3.506 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.154 1.143 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.671 5.402 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.385 3.045 5.987 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.656 5.170 4.727 1.00 0.00 H new ATOM 790 N CYS A 239 6.417 0.241 0.456 1.00 0.00 N ATOM 791 CA CYS A 239 5.928 -0.784 -0.452 1.00 0.00 C ATOM 792 C CYS A 239 7.044 -1.748 -0.895 1.00 0.00 C ATOM 793 O CYS A 239 8.220 -1.418 -0.729 1.00 0.00 O ATOM 794 CB CYS A 239 5.238 -0.062 -1.618 1.00 0.00 C ATOM 795 SG CYS A 239 6.353 0.976 -2.606 1.00 0.00 S ATOM 0 H CYS A 239 6.433 1.172 0.039 1.00 0.00 H new ATOM 0 HA CYS A 239 5.207 -1.432 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.776 -0.804 -2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.434 0.559 -1.223 1.00 0.00 H new ATOM 0 HG CYS A 239 6.563 2.100 -1.987 1.00 0.00 H new ATOM 801 N PRO A 240 6.711 -2.925 -1.474 1.00 0.00 N ATOM 802 CA PRO A 240 7.683 -3.913 -1.963 1.00 0.00 C ATOM 803 C PRO A 240 8.417 -3.481 -3.256 1.00 0.00 C ATOM 804 O PRO A 240 8.838 -4.326 -4.045 1.00 0.00 O ATOM 805 CB PRO A 240 6.880 -5.215 -2.114 1.00 0.00 C ATOM 806 CG PRO A 240 5.474 -4.727 -2.440 1.00 0.00 C ATOM 807 CD PRO A 240 5.361 -3.470 -1.582 1.00 0.00 C ATOM 0 HA PRO A 240 8.510 -4.034 -1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.281 -5.845 -2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.898 -5.807 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.355 -4.508 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.716 -5.466 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.685 -2.747 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.957 -3.706 -0.598 1.00 0.00 H new ATOM 815 N ARG A 241 8.585 -2.166 -3.461 1.00 0.00 N ATOM 816 CA ARG A 241 9.342 -1.540 -4.543 1.00 0.00 C ATOM 817 C ARG A 241 10.274 -0.457 -3.977 1.00 0.00 C ATOM 818 O ARG A 241 11.358 -0.239 -4.514 1.00 0.00 O ATOM 819 CB ARG A 241 8.384 -0.919 -5.578 1.00 0.00 C ATOM 820 CG ARG A 241 7.411 -1.900 -6.254 1.00 0.00 C ATOM 821 CD ARG A 241 8.124 -2.935 -7.130 1.00 0.00 C ATOM 822 NE ARG A 241 7.155 -3.820 -7.795 1.00 0.00 N ATOM 823 CZ ARG A 241 7.455 -4.776 -8.685 1.00 0.00 C ATOM 824 NH1 ARG A 241 8.714 -5.021 -9.053 1.00 0.00 N ATOM 825 NH2 ARG A 241 6.473 -5.501 -9.221 1.00 0.00 N ATOM 0 H ARG A 241 8.170 -1.475 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 241 9.943 -2.305 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.803 -0.139 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.979 -0.434 -6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 241 6.832 -2.416 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.703 -1.340 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 241 8.731 -2.426 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 241 8.804 -3.528 -6.518 1.00 0.00 H new ATOM 0 HE ARG A 241 6.171 -3.695 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 241 9.477 -4.474 -8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 241 8.913 -5.755 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.505 -5.326 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.690 -6.231 -9.899 1.00 0.00 H new ATOM 839 N CYS A 242 9.870 0.177 -2.869 1.00 0.00 N ATOM 840 CA CYS A 242 10.643 1.073 -2.043 1.00 0.00 C ATOM 841 C CYS A 242 11.550 0.321 -1.057 1.00 0.00 C ATOM 842 O CYS A 242 12.624 0.817 -0.725 1.00 0.00 O ATOM 843 CB CYS A 242 9.602 1.875 -1.271 1.00 0.00 C ATOM 844 SG CYS A 242 9.144 3.348 -2.217 1.00 0.00 S ATOM 0 H CYS A 242 8.922 0.059 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 242 11.306 1.689 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.720 1.261 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 242 10.000 2.165 -0.298 1.00 0.00 H new ATOM 0 HG CYS A 242 8.030 3.128 -2.851 1.00 0.00 H new ATOM 850 N SER A 243 11.123 -0.868 -0.605 1.00 0.00 N ATOM 851 CA SER A 243 11.874 -1.750 0.285 1.00 0.00 C ATOM 852 C SER A 243 13.093 -2.387 -0.411 1.00 0.00 C ATOM 853 O SER A 243 14.025 -2.821 0.265 1.00 0.00 O ATOM 854 CB SER A 243 10.912 -2.824 0.811 1.00 0.00 C ATOM 855 OG SER A 243 11.511 -3.594 1.830 1.00 0.00 O ATOM 0 H SER A 243 10.213 -1.250 -0.861 1.00 0.00 H new ATOM 0 HA SER A 243 12.277 -1.164 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 243 10.008 -2.350 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.607 -3.475 -0.008 1.00 0.00 H new ATOM 0 HG SER A 243 10.875 -4.269 2.147 1.00 0.00 H new ATOM 861 N GLN A 244 13.101 -2.410 -1.754 1.00 0.00 N ATOM 862 CA GLN A 244 14.245 -2.791 -2.577 1.00 0.00 C ATOM 863 C GLN A 244 15.410 -1.802 -2.398 1.00 0.00 C ATOM 864 O GLN A 244 16.564 -2.226 -2.336 1.00 0.00 O ATOM 865 CB GLN A 244 13.752 -2.885 -4.032 1.00 0.00 C ATOM 866 CG GLN A 244 14.824 -3.200 -5.090 1.00 0.00 C ATOM 867 CD GLN A 244 15.592 -1.967 -5.576 1.00 0.00 C ATOM 868 OE1 GLN A 244 16.808 -1.890 -5.435 1.00 0.00 O ATOM 869 NE2 GLN A 244 14.899 -0.992 -6.163 1.00 0.00 N ATOM 0 H GLN A 244 12.283 -2.155 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 244 14.643 -3.759 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 244 12.982 -3.654 -4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 244 13.277 -1.940 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 244 15.532 -3.917 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 244 14.348 -3.681 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 244 13.888 -1.078 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 244 15.379 -0.160 -6.506 1.00 0.00 H new ATOM 878 N GLU A 245 15.103 -0.502 -2.278 1.00 0.00 N ATOM 879 CA GLU A 245 16.035 0.569 -1.967 1.00 0.00 C ATOM 880 C GLU A 245 16.504 0.523 -0.495 1.00 0.00 C ATOM 881 O GLU A 245 16.072 -0.335 0.276 1.00 0.00 O ATOM 882 CB GLU A 245 15.387 1.924 -2.337 1.00 0.00 C ATOM 883 CG GLU A 245 16.250 2.747 -3.306 1.00 0.00 C ATOM 884 CD GLU A 245 17.615 3.106 -2.716 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.655 4.049 -1.897 1.00 0.00 O ATOM 886 OE2 GLU A 245 18.590 2.395 -3.045 1.00 0.00 O ATOM 0 H GLU A 245 14.149 -0.162 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 245 16.938 0.439 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 245 14.411 1.745 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 245 15.217 2.501 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 245 16.393 2.183 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 245 15.721 3.662 -3.571 1.00 0.00 H new ATOM 893 N ARG A 246 17.375 1.471 -0.104 1.00 0.00 N ATOM 894 CA ARG A 246 17.998 1.582 1.216 1.00 0.00 C ATOM 895 C ARG A 246 18.726 0.285 1.599 1.00 0.00 C ATOM 896 O ARG A 246 18.347 -0.420 2.534 1.00 0.00 O ATOM 897 CB ARG A 246 16.983 2.107 2.247 1.00 0.00 C ATOM 898 CG ARG A 246 17.655 2.553 3.557 1.00 0.00 C ATOM 899 CD ARG A 246 16.646 3.110 4.570 1.00 0.00 C ATOM 900 NE ARG A 246 16.103 4.419 4.159 1.00 0.00 N ATOM 901 CZ ARG A 246 14.932 4.645 3.543 1.00 0.00 C ATOM 902 NH1 ARG A 246 14.099 3.652 3.222 1.00 0.00 N ATOM 903 NH2 ARG A 246 14.591 5.897 3.236 1.00 0.00 N ATOM 0 H ARG A 246 17.674 2.214 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 246 18.789 2.332 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 246 16.435 2.946 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 246 16.253 1.327 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 246 18.181 1.707 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 246 18.404 3.314 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 246 15.827 2.401 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 246 17.128 3.208 5.543 1.00 0.00 H new ATOM 0 HE ARG A 246 16.677 5.237 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 246 14.345 2.688 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 246 13.216 3.858 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 246 15.217 6.668 3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 246 13.704 6.084 2.768 1.00 0.00 H new ATOM 917 N LYS A 247 19.766 -0.030 0.817 1.00 0.00 N ATOM 918 CA LYS A 247 20.621 -1.198 0.943 1.00 0.00 C ATOM 919 C LYS A 247 21.680 -0.952 2.036 1.00 0.00 C ATOM 920 O LYS A 247 21.486 -0.126 2.932 1.00 0.00 O ATOM 921 CB LYS A 247 21.238 -1.486 -0.446 1.00 0.00 C ATOM 922 CG LYS A 247 20.185 -1.668 -1.554 1.00 0.00 C ATOM 923 CD LYS A 247 20.862 -1.998 -2.893 1.00 0.00 C ATOM 924 CE LYS A 247 19.849 -2.069 -4.039 1.00 0.00 C ATOM 925 NZ LYS A 247 18.910 -3.194 -3.879 1.00 0.00 N ATOM 0 H LYS A 247 20.042 0.564 0.036 1.00 0.00 H new ATOM 0 HA LYS A 247 20.058 -2.078 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 247 21.903 -0.666 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 247 21.850 -2.386 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 247 19.497 -2.468 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 247 19.593 -0.758 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 247 21.613 -1.240 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 247 21.385 -2.951 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 247 19.290 -1.135 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 247 20.380 -2.172 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 18.053 -3.014 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 19.361 -4.072 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 18.652 -3.291 -2.876 1.00 0.00 H new ATOM 939 N LYS A 248 22.798 -1.683 1.934 1.00 0.00 N ATOM 940 CA LYS A 248 23.918 -1.772 2.874 1.00 0.00 C ATOM 941 C LYS A 248 23.493 -2.425 4.199 1.00 0.00 C ATOM 942 O LYS A 248 22.562 -1.972 4.860 1.00 0.00 O ATOM 943 CB LYS A 248 24.636 -0.408 2.989 1.00 0.00 C ATOM 944 CG LYS A 248 25.768 -0.307 4.030 1.00 0.00 C ATOM 945 CD LYS A 248 25.368 -0.095 5.506 1.00 0.00 C ATOM 946 CE LYS A 248 24.470 1.123 5.771 1.00 0.00 C ATOM 947 NZ LYS A 248 23.034 0.830 5.592 1.00 0.00 N ATOM 0 H LYS A 248 22.953 -2.278 1.120 1.00 0.00 H new ATOM 0 HA LYS A 248 24.676 -2.453 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 248 25.049 -0.158 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 248 23.889 0.351 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 248 26.361 -1.220 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 248 26.420 0.516 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 248 24.854 -0.989 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 248 26.276 0.006 6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 248 24.639 1.478 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 248 24.757 1.932 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 22.644 1.444 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 22.915 -0.166 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 22.530 1.004 6.485 1.00 0.00 H new ATOM 961 N LYS A 249 24.239 -3.476 4.573 1.00 0.00 N ATOM 962 CA LYS A 249 24.021 -4.377 5.709 1.00 0.00 C ATOM 963 C LYS A 249 22.631 -5.033 5.694 1.00 0.00 C ATOM 964 O LYS A 249 21.660 -4.398 6.157 1.00 0.00 O ATOM 965 CB LYS A 249 24.376 -3.682 7.040 1.00 0.00 C ATOM 966 CG LYS A 249 24.224 -4.544 8.310 1.00 0.00 C ATOM 967 CD LYS A 249 25.324 -5.591 8.571 1.00 0.00 C ATOM 968 CE LYS A 249 25.415 -6.769 7.591 1.00 0.00 C ATOM 969 NZ LYS A 249 24.141 -7.503 7.459 1.00 0.00 N ATOM 970 OXT LYS A 249 22.587 -6.204 5.259 1.00 0.00 O ATOM 0 H LYS A 249 25.073 -3.736 4.047 1.00 0.00 H new ATOM 0 HA LYS A 249 24.711 -5.215 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 249 25.407 -3.333 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 249 23.746 -2.799 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 249 24.178 -3.877 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 249 23.267 -5.062 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 249 26.286 -5.078 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 249 25.176 -5.995 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 249 25.719 -6.399 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 249 26.192 -7.456 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 24.333 -8.523 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 23.545 -7.317 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 23.646 -7.187 6.601 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.933 -4.900 -2.754 1.00 0.00 ZN HETATM 986 ZN ZN A 302 6.016 4.347 -3.188 1.00 0.00 ZN