USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 192 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 197 LYS NZ :NH3+ -142:sc= -1.57! (180deg=-5.43!) USER MOD Set 1.3: A 239 CYS SG : rot 135:sc= -1.86! USER MOD Set 2.1: A 220 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 223 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 176 HIS : no HD1:sc= -1.5 K(o=-3.4,f=-0.35) USER MOD Set 3.2: A 177 LYS NZ :NH3+ -175:sc= -1.86 (180deg=-0.644) USER MOD Single : A 173 MET CE :methyl -136:sc= 0 (180deg=-0.0709) USER MOD Single : A 174 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.58) USER MOD Single : A 178 SER OG : rot 130:sc= -2.82 USER MOD Single : A 186 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.97) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot -42:sc= -1.03! USER MOD Single : A 204 TYR OH : rot -75:sc= -0.442 USER MOD Single : A 214 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.97) USER MOD Single : A 230 GLN : amide:sc=-0.00847 K(o=-0.0085,f=-1.3!) USER MOD Single : A 235 MET CE :methyl -146:sc= -0.425 (180deg=-1.93!) USER MOD Single : A 244 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 247 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 173 9.363 11.060 12.155 1.00 0.00 N ATOM 2 CA MET A 173 9.527 9.635 12.593 1.00 0.00 C ATOM 3 C MET A 173 8.904 8.702 11.538 1.00 0.00 C ATOM 4 O MET A 173 9.135 7.503 11.506 1.00 0.00 O ATOM 5 CB MET A 173 8.809 9.437 13.923 1.00 0.00 C ATOM 6 CG MET A 173 9.472 10.274 15.027 1.00 0.00 C ATOM 7 SD MET A 173 8.671 9.870 16.604 1.00 0.00 S ATOM 8 CE MET A 173 9.582 8.348 17.006 1.00 0.00 C ATOM 0 HA MET A 173 10.586 9.404 12.706 1.00 0.00 H new ATOM 0 HB2 MET A 173 7.762 9.722 13.823 1.00 0.00 H new ATOM 0 HB3 MET A 173 8.827 8.383 14.198 1.00 0.00 H new ATOM 0 HG2 MET A 173 10.540 10.060 15.077 1.00 0.00 H new ATOM 0 HG3 MET A 173 9.370 11.337 14.811 1.00 0.00 H new ATOM 0 HE1 MET A 173 8.885 7.590 17.363 1.00 0.00 H new ATOM 0 HE2 MET A 173 10.090 7.982 16.114 1.00 0.00 H new ATOM 0 HE3 MET A 173 10.318 8.559 17.782 1.00 0.00 H new ATOM 20 N ASN A 174 8.123 9.235 10.658 1.00 0.00 N ATOM 21 CA ASN A 174 7.548 8.370 9.612 1.00 0.00 C ATOM 22 C ASN A 174 8.669 7.719 8.791 1.00 0.00 C ATOM 23 O ASN A 174 8.516 6.610 8.303 1.00 0.00 O ATOM 24 CB ASN A 174 6.611 9.227 8.700 1.00 0.00 C ATOM 25 CG ASN A 174 6.935 10.735 8.828 1.00 0.00 C ATOM 26 OD1 ASN A 174 6.043 11.541 9.076 1.00 0.00 O ATOM 27 ND2 ASN A 174 8.149 11.169 8.666 1.00 0.00 N ATOM 0 H ASN A 174 7.860 10.220 10.617 1.00 0.00 H new ATOM 0 HA ASN A 174 6.963 7.573 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 174 6.724 8.915 7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 174 5.571 9.051 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 174 8.349 12.166 8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 174 8.902 10.513 8.459 1.00 0.00 H new ATOM 34 N VAL A 175 9.803 8.368 8.650 1.00 0.00 N ATOM 35 CA VAL A 175 10.904 7.740 7.848 1.00 0.00 C ATOM 36 C VAL A 175 11.432 6.536 8.613 1.00 0.00 C ATOM 37 O VAL A 175 11.439 6.515 9.829 1.00 0.00 O ATOM 38 CB VAL A 175 12.045 8.761 7.623 1.00 0.00 C ATOM 39 CG1 VAL A 175 13.193 8.150 6.782 1.00 0.00 C ATOM 40 CG2 VAL A 175 11.470 9.997 6.911 1.00 0.00 C ATOM 0 H VAL A 175 10.011 9.285 9.046 1.00 0.00 H new ATOM 0 HA VAL A 175 10.522 7.427 6.876 1.00 0.00 H new ATOM 0 HB VAL A 175 12.461 9.043 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 175 13.978 8.894 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 175 13.602 7.283 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 175 12.808 7.843 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 175 12.265 10.725 6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 175 11.046 9.700 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 175 10.691 10.444 7.529 1.00 0.00 H new ATOM 50 N HIS A 176 11.860 5.518 7.913 1.00 0.00 N ATOM 51 CA HIS A 176 12.367 4.310 8.600 1.00 0.00 C ATOM 52 C HIS A 176 13.457 3.690 7.738 1.00 0.00 C ATOM 53 O HIS A 176 14.123 4.365 6.973 1.00 0.00 O ATOM 54 CB HIS A 176 11.193 3.317 8.825 1.00 0.00 C ATOM 55 CG HIS A 176 11.315 2.658 10.187 1.00 0.00 C ATOM 56 ND1 HIS A 176 11.306 1.284 10.351 1.00 0.00 N ATOM 57 CD2 HIS A 176 11.461 3.180 11.454 1.00 0.00 C ATOM 58 CE1 HIS A 176 11.446 1.029 11.669 1.00 0.00 C ATOM 59 NE2 HIS A 176 11.546 2.150 12.382 1.00 0.00 N ATOM 0 H HIS A 176 11.877 5.478 6.894 1.00 0.00 H new ATOM 0 HA HIS A 176 12.787 4.563 9.574 1.00 0.00 H new ATOM 0 HB2 HIS A 176 10.242 3.845 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 176 11.196 2.557 8.044 1.00 0.00 H new ATOM 0 HD2 HIS A 176 11.503 4.233 11.690 1.00 0.00 H new ATOM 0 HE1 HIS A 176 11.474 0.037 12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 176 11.660 2.234 13.392 1.00 0.00 H new ATOM 67 N LYS A 177 13.640 2.419 7.847 1.00 0.00 N ATOM 68 CA LYS A 177 14.639 1.719 7.003 1.00 0.00 C ATOM 69 C LYS A 177 14.423 2.058 5.531 1.00 0.00 C ATOM 70 O LYS A 177 15.360 2.123 4.736 1.00 0.00 O ATOM 71 CB LYS A 177 14.625 0.216 7.252 1.00 0.00 C ATOM 72 CG LYS A 177 14.172 -0.068 8.693 1.00 0.00 C ATOM 73 CD LYS A 177 14.380 -1.547 9.042 1.00 0.00 C ATOM 74 CE LYS A 177 13.926 -1.784 10.486 1.00 0.00 C ATOM 75 NZ LYS A 177 12.471 -1.519 10.586 1.00 0.00 N ATOM 0 H LYS A 177 13.133 1.818 8.496 1.00 0.00 H new ATOM 0 HA LYS A 177 15.632 2.071 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 177 13.953 -0.273 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 177 15.619 -0.199 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 177 14.734 0.558 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 177 13.120 0.194 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 177 13.812 -2.179 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 177 15.430 -1.817 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 177 14.143 -2.809 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 177 14.475 -1.131 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.172 -1.595 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 12.268 -0.561 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.951 -2.215 10.013 1.00 0.00 H new ATOM 89 N SER A 178 13.160 2.159 5.133 1.00 0.00 N ATOM 90 CA SER A 178 12.846 2.387 3.696 1.00 0.00 C ATOM 91 C SER A 178 13.469 3.679 3.185 1.00 0.00 C ATOM 92 O SER A 178 13.445 4.706 3.827 1.00 0.00 O ATOM 93 CB SER A 178 11.334 2.503 3.541 1.00 0.00 C ATOM 94 OG SER A 178 10.730 1.238 3.722 1.00 0.00 O ATOM 0 H SER A 178 12.349 2.092 5.748 1.00 0.00 H new ATOM 0 HA SER A 178 13.249 1.551 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 178 10.939 3.211 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 178 11.091 2.893 2.553 1.00 0.00 H new ATOM 0 HG SER A 178 9.995 1.315 4.366 1.00 0.00 H new ATOM 100 N GLU A 179 13.987 3.631 1.992 1.00 0.00 N ATOM 101 CA GLU A 179 14.604 4.848 1.391 1.00 0.00 C ATOM 102 C GLU A 179 14.213 4.995 -0.086 1.00 0.00 C ATOM 103 O GLU A 179 13.615 5.983 -0.480 1.00 0.00 O ATOM 104 CB GLU A 179 16.121 4.697 1.535 1.00 0.00 C ATOM 105 CG GLU A 179 16.534 4.962 2.995 1.00 0.00 C ATOM 106 CD GLU A 179 18.038 4.719 3.148 1.00 0.00 C ATOM 107 OE1 GLU A 179 18.437 3.569 3.031 1.00 0.00 O ATOM 108 OE2 GLU A 179 18.765 5.684 3.372 1.00 0.00 O ATOM 0 H GLU A 179 14.011 2.799 1.403 1.00 0.00 H new ATOM 0 HA GLU A 179 14.251 5.745 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 179 16.426 3.694 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 179 16.630 5.395 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 179 16.289 5.987 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 179 15.978 4.308 3.667 1.00 0.00 H new ATOM 115 N PHE A 180 14.541 4.035 -0.907 1.00 0.00 N ATOM 116 CA PHE A 180 14.193 4.146 -2.354 1.00 0.00 C ATOM 117 C PHE A 180 12.818 3.500 -2.615 1.00 0.00 C ATOM 118 O PHE A 180 12.267 3.601 -3.698 1.00 0.00 O ATOM 119 CB PHE A 180 15.265 3.435 -3.186 1.00 0.00 C ATOM 120 CG PHE A 180 16.643 3.798 -2.667 1.00 0.00 C ATOM 121 CD1 PHE A 180 17.271 4.965 -3.132 1.00 0.00 C ATOM 122 CD2 PHE A 180 17.299 2.974 -1.733 1.00 0.00 C ATOM 123 CE1 PHE A 180 18.542 5.309 -2.669 1.00 0.00 C ATOM 124 CE2 PHE A 180 18.576 3.327 -1.271 1.00 0.00 C ATOM 125 CZ PHE A 180 19.195 4.494 -1.741 1.00 0.00 C ATOM 0 H PHE A 180 15.033 3.182 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 180 14.148 5.198 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 180 15.120 2.356 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 180 15.174 3.721 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 180 16.769 5.598 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 180 16.822 2.074 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 180 19.022 6.207 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 180 19.083 2.699 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 180 20.178 4.763 -1.385 1.00 0.00 H new ATOM 135 N ASP A 181 12.257 2.849 -1.631 1.00 0.00 N ATOM 136 CA ASP A 181 10.912 2.208 -1.815 1.00 0.00 C ATOM 137 C ASP A 181 9.840 3.264 -2.155 1.00 0.00 C ATOM 138 O ASP A 181 8.658 2.973 -2.138 1.00 0.00 O ATOM 139 CB ASP A 181 10.507 1.503 -0.527 1.00 0.00 C ATOM 140 CG ASP A 181 11.727 0.839 0.085 1.00 0.00 C ATOM 141 OD1 ASP A 181 12.525 0.292 -0.665 1.00 0.00 O ATOM 142 OD2 ASP A 181 11.851 0.893 1.301 1.00 0.00 O ATOM 0 H ASP A 181 12.669 2.731 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 181 10.983 1.495 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 181 10.078 2.219 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 181 9.738 0.758 -0.733 1.00 0.00 H new ATOM 147 N GLU A 182 10.221 4.486 -2.436 1.00 0.00 N ATOM 148 CA GLU A 182 9.183 5.517 -2.750 1.00 0.00 C ATOM 149 C GLU A 182 8.344 5.039 -3.945 1.00 0.00 C ATOM 150 O GLU A 182 7.127 5.043 -3.916 1.00 0.00 O ATOM 151 CB GLU A 182 9.855 6.853 -3.095 1.00 0.00 C ATOM 152 CG GLU A 182 10.429 7.490 -1.824 1.00 0.00 C ATOM 153 CD GLU A 182 9.276 7.949 -0.935 1.00 0.00 C ATOM 154 OE1 GLU A 182 8.236 8.294 -1.478 1.00 0.00 O ATOM 155 OE2 GLU A 182 9.450 7.947 0.272 1.00 0.00 O ATOM 0 H GLU A 182 11.188 4.811 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 182 8.541 5.659 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.650 6.693 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 182 9.132 7.526 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 182 11.053 6.772 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 182 11.066 8.336 -2.081 1.00 0.00 H new ATOM 162 N ASP A 183 8.986 4.592 -4.986 1.00 0.00 N ATOM 163 CA ASP A 183 8.238 4.076 -6.157 1.00 0.00 C ATOM 164 C ASP A 183 7.401 2.882 -5.711 1.00 0.00 C ATOM 165 O ASP A 183 6.282 2.687 -6.141 1.00 0.00 O ATOM 166 CB ASP A 183 9.220 3.637 -7.242 1.00 0.00 C ATOM 167 CG ASP A 183 9.791 4.876 -7.925 1.00 0.00 C ATOM 168 OD1 ASP A 183 9.037 5.811 -8.138 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.971 4.870 -8.223 1.00 0.00 O ATOM 0 H ASP A 183 10.002 4.563 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 183 7.592 4.856 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.023 3.044 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.716 3.003 -7.972 1.00 0.00 H new ATOM 174 N ALA A 184 7.957 2.071 -4.854 1.00 0.00 N ATOM 175 CA ALA A 184 7.224 0.875 -4.367 1.00 0.00 C ATOM 176 C ALA A 184 6.108 1.305 -3.431 1.00 0.00 C ATOM 177 O ALA A 184 4.994 0.850 -3.534 1.00 0.00 O ATOM 178 CB ALA A 184 8.205 -0.015 -3.588 1.00 0.00 C ATOM 0 H ALA A 184 8.894 2.189 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 184 6.801 0.333 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.683 -0.899 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.020 -0.320 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.610 0.542 -2.743 1.00 0.00 H new ATOM 184 N TRP A 185 6.415 2.159 -2.500 1.00 0.00 N ATOM 185 CA TRP A 185 5.389 2.592 -1.522 1.00 0.00 C ATOM 186 C TRP A 185 4.230 3.261 -2.246 1.00 0.00 C ATOM 187 O TRP A 185 3.090 2.924 -2.022 1.00 0.00 O ATOM 188 CB TRP A 185 6.027 3.554 -0.517 1.00 0.00 C ATOM 189 CG TRP A 185 5.009 3.968 0.494 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.536 5.225 0.664 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.330 3.139 1.472 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.595 5.216 1.684 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.435 3.950 2.215 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.401 1.770 1.782 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.637 3.415 3.232 1.00 0.00 C ATOM 196 CZ3 TRP A 185 3.604 1.229 2.798 1.00 0.00 C ATOM 197 CH2 TRP A 185 2.722 2.045 3.522 1.00 0.00 C ATOM 0 H TRP A 185 7.337 2.577 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 185 5.001 1.725 -0.987 1.00 0.00 H new ATOM 0 HB2 TRP A 185 6.871 3.073 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.418 4.430 -1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.841 6.093 0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.085 6.040 2.002 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.076 1.130 1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 1.963 4.050 3.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 3.669 0.175 3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.109 1.619 4.302 1.00 0.00 H new ATOM 208 N GLN A 186 4.498 4.185 -3.128 1.00 0.00 N ATOM 209 CA GLN A 186 3.380 4.832 -3.863 1.00 0.00 C ATOM 210 C GLN A 186 2.633 3.758 -4.671 1.00 0.00 C ATOM 211 O GLN A 186 1.417 3.740 -4.752 1.00 0.00 O ATOM 212 CB GLN A 186 3.956 5.887 -4.807 1.00 0.00 C ATOM 213 CG GLN A 186 4.504 7.057 -3.988 1.00 0.00 C ATOM 214 CD GLN A 186 3.346 7.843 -3.355 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.333 8.073 -3.990 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.459 8.274 -2.124 1.00 0.00 N ATOM 0 H GLN A 186 5.433 4.516 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 186 2.689 5.308 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.749 5.452 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.184 6.238 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.171 6.686 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 186 5.094 7.714 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.308 8.081 -1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.698 8.803 -1.697 1.00 0.00 H new ATOM 225 N PHE A 187 3.361 2.850 -5.264 1.00 0.00 N ATOM 226 CA PHE A 187 2.713 1.777 -6.067 1.00 0.00 C ATOM 227 C PHE A 187 1.778 0.960 -5.186 1.00 0.00 C ATOM 228 O PHE A 187 0.645 0.702 -5.541 1.00 0.00 O ATOM 229 CB PHE A 187 3.793 0.876 -6.682 1.00 0.00 C ATOM 230 CG PHE A 187 3.138 -0.219 -7.490 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.384 0.112 -8.622 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.274 -1.563 -7.106 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.760 -0.894 -9.368 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.651 -2.575 -7.860 1.00 0.00 C ATOM 235 CZ PHE A 187 1.893 -2.235 -8.988 1.00 0.00 C ATOM 0 H PHE A 187 4.379 2.806 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 187 2.127 2.227 -6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.454 1.465 -7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.410 0.442 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.284 1.145 -8.920 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.856 -1.820 -6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.175 -0.636 -10.238 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.757 -3.610 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.410 -3.009 -9.566 1.00 0.00 H new ATOM 245 N LEU A 188 2.256 0.544 -4.043 1.00 0.00 N ATOM 246 CA LEU A 188 1.421 -0.265 -3.109 1.00 0.00 C ATOM 247 C LEU A 188 0.169 0.521 -2.673 1.00 0.00 C ATOM 248 O LEU A 188 -0.915 -0.011 -2.607 1.00 0.00 O ATOM 249 CB LEU A 188 2.259 -0.620 -1.869 1.00 0.00 C ATOM 250 CG LEU A 188 1.424 -1.439 -0.870 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.926 -2.732 -1.540 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.294 -1.783 0.349 1.00 0.00 C ATOM 0 H LEU A 188 3.202 0.733 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 188 1.098 -1.172 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.139 -1.189 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.616 0.292 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 188 0.561 -0.855 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.335 -3.307 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.309 -2.480 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.780 -3.325 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.708 -2.364 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.157 -2.367 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.635 -0.863 0.824 1.00 0.00 H new ATOM 264 N ILE A 189 0.326 1.770 -2.355 1.00 0.00 N ATOM 265 CA ILE A 189 -0.830 2.607 -1.907 1.00 0.00 C ATOM 266 C ILE A 189 -1.889 2.676 -3.002 1.00 0.00 C ATOM 267 O ILE A 189 -3.075 2.626 -2.735 1.00 0.00 O ATOM 268 CB ILE A 189 -0.298 4.016 -1.588 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.566 3.968 -0.314 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.447 5.008 -1.397 1.00 0.00 C ATOM 271 CD1 ILE A 189 -0.248 3.505 0.905 1.00 0.00 C ATOM 0 H ILE A 189 1.220 2.261 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.293 2.169 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 189 0.307 4.353 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.407 3.292 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 189 0.984 4.956 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -1.042 5.995 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -2.040 5.058 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -2.078 4.679 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.395 3.484 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -1.073 4.196 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.644 2.506 0.720 1.00 0.00 H new ATOM 283 N ALA A 190 -1.463 2.791 -4.226 1.00 0.00 N ATOM 284 CA ALA A 190 -2.428 2.875 -5.358 1.00 0.00 C ATOM 285 C ALA A 190 -3.290 1.612 -5.409 1.00 0.00 C ATOM 286 O ALA A 190 -4.466 1.666 -5.693 1.00 0.00 O ATOM 287 CB ALA A 190 -1.661 3.021 -6.676 1.00 0.00 C ATOM 0 H ALA A 190 -0.480 2.831 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 190 -3.072 3.742 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.368 3.082 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -1.057 3.928 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -1.012 2.157 -6.817 1.00 0.00 H new ATOM 293 N ASP A 191 -2.718 0.470 -5.171 1.00 0.00 N ATOM 294 CA ASP A 191 -3.525 -0.777 -5.244 1.00 0.00 C ATOM 295 C ASP A 191 -4.503 -0.860 -4.056 1.00 0.00 C ATOM 296 O ASP A 191 -5.639 -1.267 -4.211 1.00 0.00 O ATOM 297 CB ASP A 191 -2.598 -1.993 -5.236 1.00 0.00 C ATOM 298 CG ASP A 191 -3.412 -3.236 -5.596 1.00 0.00 C ATOM 299 OD1 ASP A 191 -4.149 -3.716 -4.748 1.00 0.00 O ATOM 300 OD2 ASP A 191 -3.296 -3.675 -6.726 1.00 0.00 O ATOM 0 H ASP A 191 -1.735 0.344 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.101 -0.765 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.786 -1.854 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.141 -2.113 -4.254 1.00 0.00 H new ATOM 305 N TYR A 192 -4.076 -0.476 -2.875 1.00 0.00 N ATOM 306 CA TYR A 192 -4.974 -0.544 -1.683 1.00 0.00 C ATOM 307 C TYR A 192 -6.220 0.326 -1.906 1.00 0.00 C ATOM 308 O TYR A 192 -7.307 -0.004 -1.475 1.00 0.00 O ATOM 309 CB TYR A 192 -4.217 -0.022 -0.456 1.00 0.00 C ATOM 310 CG TYR A 192 -4.985 -0.353 0.796 1.00 0.00 C ATOM 311 CD1 TYR A 192 -6.098 0.410 1.151 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.582 -1.422 1.606 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.812 0.114 2.308 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.300 -1.721 2.769 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.419 -0.950 3.119 1.00 0.00 C ATOM 316 OH TYR A 192 -7.134 -1.237 4.266 1.00 0.00 O ATOM 0 H TYR A 192 -3.140 -0.117 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.282 -1.578 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.224 -0.469 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.079 1.056 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.407 1.234 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.720 -2.013 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.672 0.709 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.993 -2.544 3.397 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.732 -2.008 4.718 1.00 0.00 H new ATOM 326 N LEU A 193 -6.063 1.444 -2.553 1.00 0.00 N ATOM 327 CA LEU A 193 -7.227 2.355 -2.771 1.00 0.00 C ATOM 328 C LEU A 193 -8.118 1.843 -3.913 1.00 0.00 C ATOM 329 O LEU A 193 -9.121 2.448 -4.243 1.00 0.00 O ATOM 330 CB LEU A 193 -6.716 3.753 -3.118 1.00 0.00 C ATOM 331 CG LEU A 193 -5.856 4.295 -1.973 1.00 0.00 C ATOM 332 CD1 LEU A 193 -5.295 5.672 -2.372 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.703 4.436 -0.685 1.00 0.00 C ATOM 0 H LEU A 193 -5.179 1.770 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.819 2.386 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -6.132 3.718 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.557 4.422 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 193 -5.038 3.601 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.681 6.064 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.687 5.571 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -6.119 6.358 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -6.079 4.822 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.529 5.124 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -7.099 3.461 -0.401 1.00 0.00 H new ATOM 345 N ARG A 194 -7.781 0.727 -4.504 1.00 0.00 N ATOM 346 CA ARG A 194 -8.635 0.175 -5.599 1.00 0.00 C ATOM 347 C ARG A 194 -9.908 -0.402 -4.960 1.00 0.00 C ATOM 348 O ARG A 194 -9.878 -0.862 -3.834 1.00 0.00 O ATOM 349 CB ARG A 194 -7.877 -0.949 -6.336 1.00 0.00 C ATOM 350 CG ARG A 194 -6.733 -0.349 -7.159 1.00 0.00 C ATOM 351 CD ARG A 194 -7.281 0.502 -8.324 1.00 0.00 C ATOM 352 NE ARG A 194 -6.371 0.350 -9.512 1.00 0.00 N ATOM 353 CZ ARG A 194 -5.083 0.569 -9.416 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.584 1.056 -8.321 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.301 0.338 -10.436 1.00 0.00 N ATOM 0 H ARG A 194 -6.954 0.175 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.885 0.958 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.482 -1.667 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.560 -1.494 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.103 0.267 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -6.104 -1.148 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.291 0.183 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.343 1.549 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 194 -6.765 0.071 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.195 1.269 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.581 1.226 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -4.693 -0.014 -11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.298 0.509 -10.359 1.00 0.00 H new ATOM 369 N PRO A 195 -11.020 -0.390 -5.651 1.00 0.00 N ATOM 370 CA PRO A 195 -12.294 -0.930 -5.099 1.00 0.00 C ATOM 371 C PRO A 195 -12.171 -2.418 -4.778 1.00 0.00 C ATOM 372 O PRO A 195 -12.808 -2.916 -3.872 1.00 0.00 O ATOM 373 CB PRO A 195 -13.328 -0.670 -6.216 1.00 0.00 C ATOM 374 CG PRO A 195 -12.516 -0.507 -7.459 1.00 0.00 C ATOM 375 CD PRO A 195 -11.197 0.117 -7.020 1.00 0.00 C ATOM 0 HA PRO A 195 -12.577 -0.458 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -14.028 -1.500 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.918 0.223 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.350 -1.468 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.029 0.131 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.375 -0.183 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -11.240 1.206 -7.043 1.00 0.00 H new ATOM 383 N GLU A 196 -11.353 -3.131 -5.512 1.00 0.00 N ATOM 384 CA GLU A 196 -11.197 -4.587 -5.238 1.00 0.00 C ATOM 385 C GLU A 196 -10.495 -4.786 -3.882 1.00 0.00 C ATOM 386 O GLU A 196 -10.871 -5.643 -3.106 1.00 0.00 O ATOM 387 CB GLU A 196 -10.399 -5.245 -6.373 1.00 0.00 C ATOM 388 CG GLU A 196 -9.258 -4.329 -6.819 1.00 0.00 C ATOM 389 CD GLU A 196 -8.283 -5.121 -7.682 1.00 0.00 C ATOM 390 OE1 GLU A 196 -8.000 -6.255 -7.333 1.00 0.00 O ATOM 391 OE2 GLU A 196 -7.843 -4.581 -8.684 1.00 0.00 O ATOM 0 H GLU A 196 -10.792 -2.769 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 196 -12.178 -5.060 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.997 -6.201 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -11.057 -5.454 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -9.654 -3.483 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -8.743 -3.921 -5.949 1.00 0.00 H new ATOM 398 N LYS A 197 -9.506 -3.976 -3.582 1.00 0.00 N ATOM 399 CA LYS A 197 -8.804 -4.079 -2.277 1.00 0.00 C ATOM 400 C LYS A 197 -8.569 -5.543 -1.886 1.00 0.00 C ATOM 401 O LYS A 197 -9.142 -6.045 -0.937 1.00 0.00 O ATOM 402 CB LYS A 197 -9.671 -3.402 -1.217 1.00 0.00 C ATOM 403 CG LYS A 197 -8.842 -3.180 0.056 1.00 0.00 C ATOM 404 CD LYS A 197 -9.753 -3.044 1.275 1.00 0.00 C ATOM 405 CE LYS A 197 -10.419 -1.663 1.269 1.00 0.00 C ATOM 406 NZ LYS A 197 -9.412 -0.621 1.598 1.00 0.00 N ATOM 0 H LYS A 197 -9.157 -3.242 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.831 -3.594 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.044 -2.449 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.541 -4.020 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.156 -4.015 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -8.234 -2.282 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.513 -3.825 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -9.175 -3.176 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.857 -1.464 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -11.233 -1.638 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.850 0.108 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.616 -1.056 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.064 -0.185 0.720 1.00 0.00 H new ATOM 420 N PRO A 198 -7.725 -6.227 -2.603 1.00 0.00 N ATOM 421 CA PRO A 198 -7.411 -7.647 -2.302 1.00 0.00 C ATOM 422 C PRO A 198 -6.917 -7.793 -0.860 1.00 0.00 C ATOM 423 O PRO A 198 -6.894 -6.833 -0.116 1.00 0.00 O ATOM 424 CB PRO A 198 -6.302 -7.998 -3.314 1.00 0.00 C ATOM 425 CG PRO A 198 -6.476 -7.014 -4.431 1.00 0.00 C ATOM 426 CD PRO A 198 -6.980 -5.736 -3.769 1.00 0.00 C ATOM 0 HA PRO A 198 -8.275 -8.306 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.314 -7.913 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.402 -9.023 -3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.535 -6.841 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -7.188 -7.381 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.157 -5.085 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.618 -5.161 -4.440 1.00 0.00 H new ATOM 434 N ALA A 199 -6.511 -8.970 -0.458 1.00 0.00 N ATOM 435 CA ALA A 199 -6.002 -9.135 0.938 1.00 0.00 C ATOM 436 C ALA A 199 -4.650 -8.431 1.048 1.00 0.00 C ATOM 437 O ALA A 199 -3.817 -8.535 0.173 1.00 0.00 O ATOM 438 CB ALA A 199 -5.858 -10.623 1.250 1.00 0.00 C ATOM 0 H ALA A 199 -6.509 -9.816 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.697 -8.696 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.487 -10.747 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.829 -11.110 1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.156 -11.075 0.550 1.00 0.00 H new ATOM 444 N PHE A 200 -4.430 -7.708 2.103 1.00 0.00 N ATOM 445 CA PHE A 200 -3.144 -6.981 2.246 1.00 0.00 C ATOM 446 C PHE A 200 -1.981 -7.970 2.244 1.00 0.00 C ATOM 447 O PHE A 200 -0.961 -7.743 1.628 1.00 0.00 O ATOM 448 CB PHE A 200 -3.157 -6.218 3.560 1.00 0.00 C ATOM 449 CG PHE A 200 -1.898 -5.403 3.666 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.712 -4.315 2.809 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.910 -5.740 4.597 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.536 -3.562 2.884 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.267 -4.985 4.672 1.00 0.00 C ATOM 454 CZ PHE A 200 0.451 -3.898 3.814 1.00 0.00 C ATOM 0 H PHE A 200 -5.086 -7.588 2.875 1.00 0.00 H new ATOM 0 HA PHE A 200 -3.021 -6.290 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -4.031 -5.569 3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.228 -6.912 4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -2.475 -4.056 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.055 -6.582 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -0.391 -2.720 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.030 -5.242 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.359 -3.316 3.870 1.00 0.00 H new ATOM 464 N ARG A 201 -2.126 -9.062 2.941 1.00 0.00 N ATOM 465 CA ARG A 201 -1.034 -10.079 2.995 1.00 0.00 C ATOM 466 C ARG A 201 -0.825 -10.712 1.610 1.00 0.00 C ATOM 467 O ARG A 201 0.288 -10.998 1.196 1.00 0.00 O ATOM 468 CB ARG A 201 -1.415 -11.170 3.997 1.00 0.00 C ATOM 469 CG ARG A 201 -0.307 -12.223 4.058 1.00 0.00 C ATOM 470 CD ARG A 201 -0.574 -13.184 5.208 1.00 0.00 C ATOM 471 NE ARG A 201 0.471 -14.260 5.212 1.00 0.00 N ATOM 472 CZ ARG A 201 0.591 -15.093 4.222 1.00 0.00 C ATOM 473 NH1 ARG A 201 -0.269 -15.086 3.240 1.00 0.00 N ATOM 474 NH2 ARG A 201 1.573 -15.944 4.220 1.00 0.00 N ATOM 0 H ARG A 201 -2.959 -9.297 3.480 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.109 -9.593 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -1.570 -10.733 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -2.356 -11.635 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -0.261 -12.771 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 201 0.660 -11.739 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -0.561 -12.646 6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -1.565 -13.625 5.105 1.00 0.00 H new ATOM 0 HE ARG A 201 1.102 -14.340 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -1.044 -14.423 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -0.166 -15.744 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 201 2.241 -15.954 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 201 1.676 -16.602 3.448 1.00 0.00 H new ATOM 488 N LYS A 202 -1.883 -10.970 0.894 1.00 0.00 N ATOM 489 CA LYS A 202 -1.715 -11.609 -0.446 1.00 0.00 C ATOM 490 C LYS A 202 -1.177 -10.579 -1.439 1.00 0.00 C ATOM 491 O LYS A 202 -0.333 -10.885 -2.258 1.00 0.00 O ATOM 492 CB LYS A 202 -3.062 -12.137 -0.934 1.00 0.00 C ATOM 493 CG LYS A 202 -3.635 -13.111 0.103 1.00 0.00 C ATOM 494 CD LYS A 202 -2.802 -14.390 0.151 1.00 0.00 C ATOM 495 CE LYS A 202 -3.611 -15.511 0.793 1.00 0.00 C ATOM 496 NZ LYS A 202 -2.699 -16.658 1.029 1.00 0.00 N ATOM 0 H LYS A 202 -2.844 -10.771 1.171 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.011 -12.437 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.753 -11.309 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.942 -12.640 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.646 -12.640 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -4.668 -13.352 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -2.502 -14.677 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -1.888 -14.218 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.050 -15.174 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.435 -15.807 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -3.229 -17.438 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -2.300 -16.977 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -1.928 -16.364 1.662 1.00 0.00 H new ATOM 510 N CYS A 203 -1.651 -9.364 -1.379 1.00 0.00 N ATOM 511 CA CYS A 203 -1.148 -8.322 -2.327 1.00 0.00 C ATOM 512 C CYS A 203 0.340 -8.081 -2.064 1.00 0.00 C ATOM 513 O CYS A 203 1.119 -7.869 -2.972 1.00 0.00 O ATOM 514 CB CYS A 203 -1.931 -7.021 -2.130 1.00 0.00 C ATOM 515 SG CYS A 203 -1.300 -6.125 -0.683 1.00 0.00 S ATOM 0 H CYS A 203 -2.361 -9.046 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.285 -8.663 -3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -1.844 -6.397 -3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -2.990 -7.242 -1.997 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.081 -6.964 0.285 1.00 0.00 H new ATOM 521 N TYR A 204 0.727 -8.093 -0.816 1.00 0.00 N ATOM 522 CA TYR A 204 2.154 -7.862 -0.457 1.00 0.00 C ATOM 523 C TYR A 204 3.038 -8.934 -1.107 1.00 0.00 C ATOM 524 O TYR A 204 4.130 -8.664 -1.571 1.00 0.00 O ATOM 525 CB TYR A 204 2.295 -7.948 1.064 1.00 0.00 C ATOM 526 CG TYR A 204 3.584 -7.303 1.511 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.797 -7.977 1.343 1.00 0.00 C ATOM 528 CD2 TYR A 204 3.564 -6.033 2.107 1.00 0.00 C ATOM 529 CE1 TYR A 204 5.992 -7.386 1.766 1.00 0.00 C ATOM 530 CE2 TYR A 204 4.759 -5.448 2.534 1.00 0.00 C ATOM 531 CZ TYR A 204 5.973 -6.123 2.363 1.00 0.00 C ATOM 532 OH TYR A 204 7.151 -5.546 2.790 1.00 0.00 O ATOM 0 H TYR A 204 0.107 -8.255 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 204 2.466 -6.880 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.449 -7.454 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.275 -8.991 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.811 -8.955 0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 204 2.628 -5.509 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 204 6.929 -7.906 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 204 4.746 -4.472 2.997 1.00 0.00 H new ATOM 0 HH TYR A 204 7.448 -5.982 3.616 1.00 0.00 H new ATOM 542 N GLU A 205 2.585 -10.159 -1.122 1.00 0.00 N ATOM 543 CA GLU A 205 3.410 -11.239 -1.727 1.00 0.00 C ATOM 544 C GLU A 205 3.655 -10.896 -3.199 1.00 0.00 C ATOM 545 O GLU A 205 4.749 -11.017 -3.716 1.00 0.00 O ATOM 546 CB GLU A 205 2.653 -12.568 -1.644 1.00 0.00 C ATOM 547 CG GLU A 205 2.574 -13.038 -0.191 1.00 0.00 C ATOM 548 CD GLU A 205 1.627 -14.242 -0.108 1.00 0.00 C ATOM 549 OE1 GLU A 205 1.063 -14.598 -1.134 1.00 0.00 O ATOM 550 OE2 GLU A 205 1.473 -14.779 0.977 1.00 0.00 O ATOM 0 H GLU A 205 1.685 -10.455 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 205 4.357 -11.327 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.649 -12.449 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.156 -13.321 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.565 -13.312 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.214 -12.231 0.447 1.00 0.00 H new ATOM 557 N ARG A 206 2.638 -10.447 -3.878 1.00 0.00 N ATOM 558 CA ARG A 206 2.813 -10.080 -5.302 1.00 0.00 C ATOM 559 C ARG A 206 3.804 -8.925 -5.366 1.00 0.00 C ATOM 560 O ARG A 206 4.649 -8.859 -6.230 1.00 0.00 O ATOM 561 CB ARG A 206 1.470 -9.658 -5.918 1.00 0.00 C ATOM 562 CG ARG A 206 0.563 -10.879 -6.036 1.00 0.00 C ATOM 563 CD ARG A 206 -0.775 -10.464 -6.647 1.00 0.00 C ATOM 564 NE ARG A 206 -1.700 -11.637 -6.695 1.00 0.00 N ATOM 565 CZ ARG A 206 -2.978 -11.443 -6.889 1.00 0.00 C ATOM 566 NH1 ARG A 206 -3.436 -10.230 -6.999 1.00 0.00 N ATOM 567 NH2 ARG A 206 -3.802 -12.450 -6.944 1.00 0.00 N ATOM 0 H ARG A 206 1.697 -10.320 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 206 3.185 -10.935 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.996 -8.897 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.631 -9.214 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 206 1.038 -11.639 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 206 0.404 -11.323 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.221 -9.663 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.619 -10.072 -7.652 1.00 0.00 H new ATOM 0 HE ARG A 206 -1.336 -12.583 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -2.799 -9.436 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -4.432 -10.073 -7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -3.452 -13.402 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -4.797 -12.287 -7.096 1.00 0.00 H new ATOM 581 N LEU A 207 3.698 -8.018 -4.438 1.00 0.00 N ATOM 582 CA LEU A 207 4.620 -6.847 -4.405 1.00 0.00 C ATOM 583 C LEU A 207 6.060 -7.346 -4.253 1.00 0.00 C ATOM 584 O LEU A 207 6.984 -6.766 -4.789 1.00 0.00 O ATOM 585 CB LEU A 207 4.256 -5.949 -3.217 1.00 0.00 C ATOM 586 CG LEU A 207 5.143 -4.690 -3.195 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.739 -3.723 -4.323 1.00 0.00 C ATOM 588 CD2 LEU A 207 4.973 -3.986 -1.847 1.00 0.00 C ATOM 0 H LEU A 207 3.004 -8.037 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 207 4.529 -6.277 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.207 -5.660 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.378 -6.502 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 207 6.182 -4.986 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.377 -2.840 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 207 4.855 -4.219 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.699 -3.424 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.597 -3.093 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 207 3.929 -3.703 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.271 -4.660 -1.044 1.00 0.00 H new ATOM 600 N GLU A 208 6.266 -8.399 -3.507 1.00 0.00 N ATOM 601 CA GLU A 208 7.656 -8.902 -3.325 1.00 0.00 C ATOM 602 C GLU A 208 8.216 -9.257 -4.700 1.00 0.00 C ATOM 603 O GLU A 208 9.347 -8.947 -5.020 1.00 0.00 O ATOM 604 CB GLU A 208 7.648 -10.161 -2.449 1.00 0.00 C ATOM 605 CG GLU A 208 7.278 -9.791 -1.016 1.00 0.00 C ATOM 606 CD GLU A 208 7.217 -11.059 -0.160 1.00 0.00 C ATOM 607 OE1 GLU A 208 8.142 -11.841 -0.239 1.00 0.00 O ATOM 608 OE2 GLU A 208 6.243 -11.229 0.553 1.00 0.00 O ATOM 0 H GLU A 208 5.540 -8.926 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 208 8.266 -8.138 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.935 -10.885 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.629 -10.636 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.013 -9.098 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.315 -9.281 -0.998 1.00 0.00 H new ATOM 615 N LEU A 209 7.425 -9.873 -5.533 1.00 0.00 N ATOM 616 CA LEU A 209 7.923 -10.203 -6.897 1.00 0.00 C ATOM 617 C LEU A 209 8.279 -8.884 -7.595 1.00 0.00 C ATOM 618 O LEU A 209 9.288 -8.758 -8.261 1.00 0.00 O ATOM 619 CB LEU A 209 6.828 -10.929 -7.683 1.00 0.00 C ATOM 620 CG LEU A 209 6.851 -12.436 -7.353 1.00 0.00 C ATOM 621 CD1 LEU A 209 8.110 -13.126 -7.924 1.00 0.00 C ATOM 622 CD2 LEU A 209 6.814 -12.631 -5.838 1.00 0.00 C ATOM 0 H LEU A 209 6.467 -10.159 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 209 8.797 -10.852 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.853 -10.509 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.977 -10.780 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 209 5.974 -12.891 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 209 8.090 -14.186 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.128 -13.012 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 209 9.002 -12.668 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.830 -13.696 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.682 -12.149 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 209 5.903 -12.187 -5.436 1.00 0.00 H new ATOM 634 N ALA A 210 7.441 -7.897 -7.431 1.00 0.00 N ATOM 635 CA ALA A 210 7.700 -6.577 -8.057 1.00 0.00 C ATOM 636 C ALA A 210 8.974 -5.965 -7.465 1.00 0.00 C ATOM 637 O ALA A 210 9.781 -5.393 -8.165 1.00 0.00 O ATOM 638 CB ALA A 210 6.519 -5.652 -7.775 1.00 0.00 C ATOM 0 H ALA A 210 6.582 -7.953 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 210 7.827 -6.702 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.701 -4.679 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.610 -6.085 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.401 -5.531 -6.698 1.00 0.00 H new ATOM 644 N ALA A 211 9.156 -6.088 -6.177 1.00 0.00 N ATOM 645 CA ALA A 211 10.371 -5.515 -5.521 1.00 0.00 C ATOM 646 C ALA A 211 11.630 -6.138 -6.127 1.00 0.00 C ATOM 647 O ALA A 211 12.614 -5.461 -6.332 1.00 0.00 O ATOM 648 CB ALA A 211 10.341 -5.813 -4.017 1.00 0.00 C ATOM 0 H ALA A 211 8.511 -6.564 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 211 10.381 -4.437 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.229 -5.393 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.450 -5.367 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.323 -6.891 -3.860 1.00 0.00 H new ATOM 654 N ARG A 212 11.615 -7.421 -6.400 1.00 0.00 N ATOM 655 CA ARG A 212 12.825 -8.073 -6.988 1.00 0.00 C ATOM 656 C ARG A 212 13.068 -7.531 -8.398 1.00 0.00 C ATOM 657 O ARG A 212 14.186 -7.283 -8.802 1.00 0.00 O ATOM 658 CB ARG A 212 12.606 -9.599 -7.057 1.00 0.00 C ATOM 659 CG ARG A 212 13.861 -10.292 -7.630 1.00 0.00 C ATOM 660 CD ARG A 212 13.652 -10.646 -9.108 1.00 0.00 C ATOM 661 NE ARG A 212 14.861 -11.341 -9.622 1.00 0.00 N ATOM 662 CZ ARG A 212 14.782 -12.061 -10.703 1.00 0.00 C ATOM 663 NH1 ARG A 212 13.655 -12.135 -11.355 1.00 0.00 N ATOM 664 NH2 ARG A 212 15.841 -12.667 -11.161 1.00 0.00 N ATOM 0 H ARG A 212 10.821 -8.041 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 212 13.691 -7.856 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 212 12.389 -9.988 -6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.741 -9.822 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 212 14.725 -9.636 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 212 14.076 -11.196 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 212 12.776 -11.285 -9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.464 -9.742 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 212 15.750 -11.254 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 212 12.836 -11.629 -11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 212 13.592 -12.699 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 212 16.732 -12.577 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 212 15.779 -13.231 -12.008 1.00 0.00 H new ATOM 678 N GLU A 213 12.027 -7.346 -9.149 1.00 0.00 N ATOM 679 CA GLU A 213 12.193 -6.822 -10.530 1.00 0.00 C ATOM 680 C GLU A 213 12.651 -5.371 -10.486 1.00 0.00 C ATOM 681 O GLU A 213 13.520 -4.961 -11.228 1.00 0.00 O ATOM 682 CB GLU A 213 10.859 -6.892 -11.252 1.00 0.00 C ATOM 683 CG GLU A 213 10.510 -8.353 -11.530 1.00 0.00 C ATOM 684 CD GLU A 213 9.091 -8.425 -12.077 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.271 -7.668 -11.595 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.849 -9.228 -12.967 1.00 0.00 O ATOM 0 H GLU A 213 11.065 -7.535 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 213 12.939 -7.422 -11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.080 -6.429 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.909 -6.334 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.212 -8.779 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.592 -8.941 -10.616 1.00 0.00 H new ATOM 693 N HIS A 214 12.070 -4.580 -9.627 1.00 0.00 N ATOM 694 CA HIS A 214 12.461 -3.149 -9.548 1.00 0.00 C ATOM 695 C HIS A 214 13.605 -2.979 -8.553 1.00 0.00 C ATOM 696 O HIS A 214 14.228 -1.940 -8.496 1.00 0.00 O ATOM 697 CB HIS A 214 11.255 -2.325 -9.096 1.00 0.00 C ATOM 698 CG HIS A 214 10.196 -2.324 -10.169 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.286 -1.534 -11.307 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.017 -3.021 -10.289 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.182 -1.780 -12.056 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.380 -2.675 -11.476 1.00 0.00 N ATOM 0 H HIS A 214 11.339 -4.866 -8.975 1.00 0.00 H new ATOM 0 HA HIS A 214 12.792 -2.806 -10.528 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.848 -2.738 -8.173 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.564 -1.303 -8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.641 -3.732 -9.568 1.00 0.00 H new ATOM 0 HE1 HIS A 214 8.977 -1.309 -13.006 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.491 -3.029 -11.828 1.00 0.00 H new ATOM 710 N GLY A 215 13.888 -3.986 -7.770 1.00 0.00 N ATOM 711 CA GLY A 215 14.994 -3.869 -6.784 1.00 0.00 C ATOM 712 C GLY A 215 14.566 -2.953 -5.630 1.00 0.00 C ATOM 713 O GLY A 215 15.390 -2.339 -4.984 1.00 0.00 O ATOM 0 H GLY A 215 13.400 -4.882 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.257 -4.855 -6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.884 -3.468 -7.268 1.00 0.00 H new ATOM 717 N TRP A 216 13.292 -2.853 -5.358 1.00 0.00 N ATOM 718 CA TRP A 216 12.836 -1.974 -4.244 1.00 0.00 C ATOM 719 C TRP A 216 13.222 -2.587 -2.895 1.00 0.00 C ATOM 720 O TRP A 216 13.117 -3.777 -2.682 1.00 0.00 O ATOM 721 CB TRP A 216 11.316 -1.829 -4.274 1.00 0.00 C ATOM 722 CG TRP A 216 10.824 -1.154 -5.525 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.491 -0.216 -6.241 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.540 -1.333 -6.189 1.00 0.00 C ATOM 725 NE1 TRP A 216 10.690 0.203 -7.285 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.480 -0.459 -7.298 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.425 -2.162 -5.938 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.356 -0.402 -8.123 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.293 -2.105 -6.772 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.257 -1.226 -7.859 1.00 0.00 C ATOM 0 H TRP A 216 12.549 -3.341 -5.858 1.00 0.00 H new ATOM 0 HA TRP A 216 13.311 -1.001 -4.368 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.859 -2.815 -4.194 1.00 0.00 H new ATOM 0 HB3 TRP A 216 10.992 -1.256 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.487 0.145 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 216 10.960 0.915 -7.964 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.441 -2.844 -5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.335 0.276 -8.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.446 -2.745 -6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.383 -1.184 -8.493 1.00 0.00 H new ATOM 741 N SER A 217 13.651 -1.771 -1.976 1.00 0.00 N ATOM 742 CA SER A 217 14.040 -2.278 -0.625 1.00 0.00 C ATOM 743 C SER A 217 12.829 -2.191 0.316 1.00 0.00 C ATOM 744 O SER A 217 12.723 -1.276 1.101 1.00 0.00 O ATOM 745 CB SER A 217 15.162 -1.378 -0.095 1.00 0.00 C ATOM 746 OG SER A 217 16.306 -1.521 -0.932 1.00 0.00 O ATOM 0 H SER A 217 13.751 -0.764 -2.101 1.00 0.00 H new ATOM 0 HA SER A 217 14.374 -3.314 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.835 -0.338 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.410 -1.650 0.931 1.00 0.00 H new ATOM 0 HG SER A 217 17.028 -0.947 -0.600 1.00 0.00 H new ATOM 752 N ILE A 218 11.904 -3.116 0.250 1.00 0.00 N ATOM 753 CA ILE A 218 10.701 -3.003 1.148 1.00 0.00 C ATOM 754 C ILE A 218 10.978 -3.663 2.525 1.00 0.00 C ATOM 755 O ILE A 218 11.185 -4.853 2.602 1.00 0.00 O ATOM 756 CB ILE A 218 9.492 -3.695 0.461 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.536 -5.233 0.664 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.527 -3.366 -1.039 1.00 0.00 C ATOM 759 CD1 ILE A 218 8.634 -5.946 -0.357 1.00 0.00 C ATOM 0 H ILE A 218 11.922 -3.927 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 218 10.479 -1.949 1.317 1.00 0.00 H new ATOM 0 HB ILE A 218 8.569 -3.327 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 218 10.561 -5.589 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.213 -5.480 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.684 -3.845 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.464 -2.287 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.458 -3.733 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 218 8.681 -7.023 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 218 7.606 -5.605 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 218 8.975 -5.716 -1.367 1.00 0.00 H new ATOM 771 N PRO A 219 10.970 -2.919 3.628 1.00 0.00 N ATOM 772 CA PRO A 219 11.198 -3.516 4.982 1.00 0.00 C ATOM 773 C PRO A 219 10.191 -4.636 5.286 1.00 0.00 C ATOM 774 O PRO A 219 9.506 -5.128 4.413 1.00 0.00 O ATOM 775 CB PRO A 219 11.021 -2.342 5.965 1.00 0.00 C ATOM 776 CG PRO A 219 11.238 -1.121 5.143 1.00 0.00 C ATOM 777 CD PRO A 219 10.772 -1.462 3.729 1.00 0.00 C ATOM 0 HA PRO A 219 12.183 -3.977 5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 219 10.027 -2.347 6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 219 11.738 -2.400 6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 219 10.675 -0.278 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 219 12.289 -0.833 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 219 9.728 -1.190 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 219 11.353 -0.927 2.978 1.00 0.00 H new ATOM 785 N SER A 220 10.101 -5.052 6.513 1.00 0.00 N ATOM 786 CA SER A 220 9.150 -6.144 6.841 1.00 0.00 C ATOM 787 C SER A 220 7.705 -5.689 6.622 1.00 0.00 C ATOM 788 O SER A 220 7.395 -4.516 6.662 1.00 0.00 O ATOM 789 CB SER A 220 9.346 -6.563 8.291 1.00 0.00 C ATOM 790 OG SER A 220 8.873 -5.536 9.149 1.00 0.00 O ATOM 0 H SER A 220 10.640 -4.687 7.298 1.00 0.00 H new ATOM 0 HA SER A 220 9.345 -6.991 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 220 8.810 -7.491 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.401 -6.757 8.485 1.00 0.00 H new ATOM 0 HG SER A 220 8.998 -5.807 10.083 1.00 0.00 H new ATOM 796 N ARG A 221 6.822 -6.624 6.384 1.00 0.00 N ATOM 797 CA ARG A 221 5.389 -6.278 6.148 1.00 0.00 C ATOM 798 C ARG A 221 4.872 -5.407 7.294 1.00 0.00 C ATOM 799 O ARG A 221 4.074 -4.515 7.098 1.00 0.00 O ATOM 800 CB ARG A 221 4.542 -7.555 6.097 1.00 0.00 C ATOM 801 CG ARG A 221 5.013 -8.453 4.958 1.00 0.00 C ATOM 802 CD ARG A 221 4.111 -9.689 4.869 1.00 0.00 C ATOM 803 NE ARG A 221 3.967 -10.312 6.229 1.00 0.00 N ATOM 804 CZ ARG A 221 5.007 -10.687 6.937 1.00 0.00 C ATOM 805 NH1 ARG A 221 6.206 -10.732 6.413 1.00 0.00 N ATOM 806 NH2 ARG A 221 4.835 -11.072 8.169 1.00 0.00 N ATOM 0 H ARG A 221 7.035 -7.621 6.343 1.00 0.00 H new ATOM 0 HA ARG A 221 5.314 -5.742 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 221 4.617 -8.088 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.492 -7.298 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 221 4.989 -7.905 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.047 -8.756 5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 221 3.131 -9.409 4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.535 -10.411 4.171 1.00 0.00 H new ATOM 0 HE ARG A 221 3.032 -10.448 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 221 6.346 -10.473 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 221 7.000 -11.026 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 221 3.899 -11.080 8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.636 -11.365 8.728 1.00 0.00 H new ATOM 820 N ALA A 222 5.304 -5.671 8.496 1.00 0.00 N ATOM 821 CA ALA A 222 4.810 -4.868 9.653 1.00 0.00 C ATOM 822 C ALA A 222 5.050 -3.385 9.394 1.00 0.00 C ATOM 823 O ALA A 222 4.244 -2.551 9.741 1.00 0.00 O ATOM 824 CB ALA A 222 5.556 -5.281 10.925 1.00 0.00 C ATOM 0 H ALA A 222 5.974 -6.404 8.728 1.00 0.00 H new ATOM 0 HA ALA A 222 3.742 -5.049 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.192 -4.692 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.384 -6.339 11.121 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.624 -5.106 10.794 1.00 0.00 H new ATOM 830 N THR A 223 6.151 -3.039 8.804 1.00 0.00 N ATOM 831 CA THR A 223 6.416 -1.592 8.534 1.00 0.00 C ATOM 832 C THR A 223 5.372 -1.028 7.566 1.00 0.00 C ATOM 833 O THR A 223 4.882 0.072 7.734 1.00 0.00 O ATOM 834 CB THR A 223 7.796 -1.448 7.905 1.00 0.00 C ATOM 835 OG1 THR A 223 8.787 -1.930 8.809 1.00 0.00 O ATOM 836 CG2 THR A 223 8.067 0.010 7.557 1.00 0.00 C ATOM 0 H THR A 223 6.879 -3.683 8.496 1.00 0.00 H new ATOM 0 HA THR A 223 6.365 -1.043 9.474 1.00 0.00 H new ATOM 0 HB THR A 223 7.833 -2.036 6.988 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.677 -1.694 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.056 0.099 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.315 0.361 6.850 1.00 0.00 H new ATOM 0 HG23 THR A 223 8.024 0.614 8.463 1.00 0.00 H new ATOM 844 N ALA A 224 5.029 -1.768 6.555 1.00 0.00 N ATOM 845 CA ALA A 224 4.029 -1.262 5.579 1.00 0.00 C ATOM 846 C ALA A 224 2.668 -1.040 6.257 1.00 0.00 C ATOM 847 O ALA A 224 2.127 0.043 6.234 1.00 0.00 O ATOM 848 CB ALA A 224 3.888 -2.283 4.461 1.00 0.00 C ATOM 0 H ALA A 224 5.396 -2.700 6.361 1.00 0.00 H new ATOM 0 HA ALA A 224 4.366 -0.306 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.157 -1.928 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.851 -2.420 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.554 -3.234 4.877 1.00 0.00 H new ATOM 854 N PHE A 225 2.103 -2.050 6.850 1.00 0.00 N ATOM 855 CA PHE A 225 0.772 -1.866 7.504 1.00 0.00 C ATOM 856 C PHE A 225 0.853 -0.805 8.608 1.00 0.00 C ATOM 857 O PHE A 225 -0.066 -0.023 8.787 1.00 0.00 O ATOM 858 CB PHE A 225 0.289 -3.186 8.104 1.00 0.00 C ATOM 859 CG PHE A 225 -1.054 -2.970 8.777 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.169 -2.604 8.013 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.180 -3.122 10.166 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.403 -2.394 8.632 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.423 -2.912 10.788 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.535 -2.548 10.015 1.00 0.00 C ATOM 0 H PHE A 225 2.497 -2.989 6.913 1.00 0.00 H new ATOM 0 HA PHE A 225 0.065 -1.534 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.200 -3.942 7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.015 -3.557 8.827 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.074 -2.484 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.321 -3.401 10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.260 -2.111 8.039 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.521 -3.031 11.857 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.493 -2.387 10.488 1.00 0.00 H new ATOM 874 N ARG A 226 1.918 -0.770 9.365 1.00 0.00 N ATOM 875 CA ARG A 226 1.991 0.247 10.454 1.00 0.00 C ATOM 876 C ARG A 226 1.841 1.635 9.824 1.00 0.00 C ATOM 877 O ARG A 226 1.150 2.493 10.340 1.00 0.00 O ATOM 878 CB ARG A 226 3.358 0.150 11.154 1.00 0.00 C ATOM 879 CG ARG A 226 3.395 1.052 12.401 1.00 0.00 C ATOM 880 CD ARG A 226 2.785 0.324 13.609 1.00 0.00 C ATOM 881 NE ARG A 226 2.133 1.320 14.512 1.00 0.00 N ATOM 882 CZ ARG A 226 2.768 2.397 14.924 1.00 0.00 C ATOM 883 NH1 ARG A 226 4.051 2.544 14.705 1.00 0.00 N ATOM 884 NH2 ARG A 226 2.116 3.315 15.594 1.00 0.00 N ATOM 0 H ARG A 226 2.725 -1.388 9.280 1.00 0.00 H new ATOM 0 HA ARG A 226 1.201 0.075 11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.553 -0.883 11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 226 4.148 0.444 10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 226 4.424 1.336 12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.845 1.973 12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 226 2.054 -0.412 13.273 1.00 0.00 H new ATOM 0 HD3 ARG A 226 3.560 -0.220 14.149 1.00 0.00 H new ATOM 0 HE ARG A 226 1.173 1.162 14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 226 4.570 1.819 14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 226 4.531 3.383 15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 226 1.123 3.192 15.793 1.00 0.00 H new ATOM 0 HH22 ARG A 226 2.601 4.152 15.917 1.00 0.00 H new ATOM 898 N ARG A 227 2.466 1.859 8.702 1.00 0.00 N ATOM 899 CA ARG A 227 2.339 3.185 8.037 1.00 0.00 C ATOM 900 C ARG A 227 0.889 3.394 7.579 1.00 0.00 C ATOM 901 O ARG A 227 0.353 4.485 7.647 1.00 0.00 O ATOM 902 CB ARG A 227 3.281 3.248 6.838 1.00 0.00 C ATOM 903 CG ARG A 227 4.722 3.299 7.341 1.00 0.00 C ATOM 904 CD ARG A 227 5.682 3.360 6.157 1.00 0.00 C ATOM 905 NE ARG A 227 5.465 4.617 5.389 1.00 0.00 N ATOM 906 CZ ARG A 227 6.362 5.017 4.529 1.00 0.00 C ATOM 907 NH1 ARG A 227 7.438 4.309 4.345 1.00 0.00 N ATOM 908 NH2 ARG A 227 6.175 6.115 3.847 1.00 0.00 N ATOM 0 H ARG A 227 3.057 1.183 8.218 1.00 0.00 H new ATOM 0 HA ARG A 227 2.606 3.973 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.136 2.377 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.062 4.128 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.863 4.171 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 227 4.936 2.420 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 227 6.712 3.314 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 227 5.528 2.497 5.509 1.00 0.00 H new ATOM 0 HE ARG A 227 4.617 5.165 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 227 7.577 3.446 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 227 8.142 4.617 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 227 5.326 6.663 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 227 6.878 6.425 3.176 1.00 0.00 H new ATOM 922 N ILE A 228 0.247 2.355 7.107 1.00 0.00 N ATOM 923 CA ILE A 228 -1.164 2.495 6.639 1.00 0.00 C ATOM 924 C ILE A 228 -2.041 2.974 7.806 1.00 0.00 C ATOM 925 O ILE A 228 -2.932 3.783 7.628 1.00 0.00 O ATOM 926 CB ILE A 228 -1.717 1.137 6.170 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.863 0.553 5.018 1.00 0.00 C ATOM 928 CG2 ILE A 228 -3.167 1.335 5.709 1.00 0.00 C ATOM 929 CD1 ILE A 228 -1.236 1.152 3.656 1.00 0.00 C ATOM 0 H ILE A 228 0.639 1.417 7.026 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.180 3.208 5.814 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.679 0.428 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.192 0.741 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.993 -0.529 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.575 0.382 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.764 1.713 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -3.193 2.051 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.610 0.711 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.283 0.941 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.080 2.231 3.678 1.00 0.00 H new ATOM 941 N GLN A 229 -1.814 2.465 8.995 1.00 0.00 N ATOM 942 CA GLN A 229 -2.652 2.878 10.161 1.00 0.00 C ATOM 943 C GLN A 229 -2.361 4.328 10.507 1.00 0.00 C ATOM 944 O GLN A 229 -3.148 4.991 11.150 1.00 0.00 O ATOM 945 CB GLN A 229 -2.324 1.996 11.370 1.00 0.00 C ATOM 946 CG GLN A 229 -2.796 0.562 11.097 1.00 0.00 C ATOM 947 CD GLN A 229 -4.321 0.523 11.024 1.00 0.00 C ATOM 948 OE1 GLN A 229 -5.002 0.949 11.936 1.00 0.00 O ATOM 949 NE2 GLN A 229 -4.892 0.037 9.963 1.00 0.00 N ATOM 0 H GLN A 229 -1.085 1.783 9.205 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.705 2.766 9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.251 2.007 11.562 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -2.812 2.387 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -2.369 0.201 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -2.444 -0.103 11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -4.323 -0.321 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -5.910 0.014 9.897 1.00 0.00 H new ATOM 958 N GLN A 230 -1.240 4.838 10.096 1.00 0.00 N ATOM 959 CA GLN A 230 -0.924 6.248 10.420 1.00 0.00 C ATOM 960 C GLN A 230 -1.689 7.168 9.469 1.00 0.00 C ATOM 961 O GLN A 230 -1.731 8.365 9.659 1.00 0.00 O ATOM 962 CB GLN A 230 0.577 6.483 10.256 1.00 0.00 C ATOM 963 CG GLN A 230 1.338 5.746 11.354 1.00 0.00 C ATOM 964 CD GLN A 230 2.840 5.924 11.143 1.00 0.00 C ATOM 965 OE1 GLN A 230 3.285 6.194 10.043 1.00 0.00 O ATOM 966 NE2 GLN A 230 3.645 5.797 12.162 1.00 0.00 N ATOM 0 H GLN A 230 -0.533 4.342 9.553 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.215 6.461 11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.904 6.134 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.795 7.550 10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 230 1.050 6.131 12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.081 4.687 11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 230 3.270 5.571 13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 230 4.649 5.924 12.037 1.00 0.00 H new ATOM 975 N LEU A 231 -2.300 6.622 8.451 1.00 0.00 N ATOM 976 CA LEU A 231 -3.064 7.477 7.499 1.00 0.00 C ATOM 977 C LEU A 231 -4.298 8.013 8.220 1.00 0.00 C ATOM 978 O LEU A 231 -4.262 9.067 8.819 1.00 0.00 O ATOM 979 CB LEU A 231 -3.507 6.632 6.296 1.00 0.00 C ATOM 980 CG LEU A 231 -2.294 6.106 5.526 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.776 5.200 4.382 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.491 7.278 4.947 1.00 0.00 C ATOM 0 H LEU A 231 -2.303 5.624 8.239 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.441 8.301 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.117 5.796 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -4.131 7.232 5.634 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.656 5.539 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.915 4.822 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.339 4.362 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.416 5.772 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.629 6.894 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -2.123 7.853 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -1.149 7.921 5.758 1.00 0.00 H new ATOM 994 N ASP A 232 -5.376 7.272 8.197 1.00 0.00 N ATOM 995 CA ASP A 232 -6.611 7.719 8.908 1.00 0.00 C ATOM 996 C ASP A 232 -7.690 6.641 8.833 1.00 0.00 C ATOM 997 O ASP A 232 -7.821 5.954 7.849 1.00 0.00 O ATOM 998 CB ASP A 232 -7.160 8.999 8.261 1.00 0.00 C ATOM 999 CG ASP A 232 -8.126 9.688 9.235 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -8.906 8.993 9.856 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.065 10.896 9.345 1.00 0.00 O ATOM 0 H ASP A 232 -5.454 6.376 7.716 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.350 7.908 9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.341 9.672 8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.674 8.758 7.331 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.491 6.515 9.853 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.583 5.505 9.806 1.00 0.00 C ATOM 1008 C GLU A 233 -10.493 5.854 8.618 1.00 0.00 C ATOM 1009 O GLU A 233 -11.068 4.993 7.982 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.373 5.554 11.120 1.00 0.00 C ATOM 1011 CG GLU A 233 -10.912 6.969 11.338 1.00 0.00 C ATOM 1012 CD GLU A 233 -11.672 7.030 12.671 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.613 6.269 12.830 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -11.295 7.833 13.515 1.00 0.00 O ATOM 0 H GLU A 233 -8.438 7.063 10.711 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.182 4.499 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -11.196 4.840 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -9.732 5.265 11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -10.090 7.685 11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.573 7.248 10.518 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.591 7.120 8.291 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.426 7.538 7.125 1.00 0.00 C ATOM 1023 C ALA A 234 -10.796 6.975 5.859 1.00 0.00 C ATOM 1024 O ALA A 234 -11.443 6.815 4.843 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.456 9.068 7.035 1.00 0.00 C ATOM 0 H ALA A 234 -10.127 7.883 8.784 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.444 7.166 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -12.066 9.371 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.882 9.478 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.441 9.445 6.907 1.00 0.00 H new ATOM 1031 N MET A 235 -9.533 6.675 5.913 1.00 0.00 N ATOM 1032 CA MET A 235 -8.852 6.125 4.715 1.00 0.00 C ATOM 1033 C MET A 235 -9.542 4.819 4.315 1.00 0.00 C ATOM 1034 O MET A 235 -9.702 4.526 3.145 1.00 0.00 O ATOM 1035 CB MET A 235 -7.390 5.865 5.044 1.00 0.00 C ATOM 1036 CG MET A 235 -6.628 5.480 3.774 1.00 0.00 C ATOM 1037 SD MET A 235 -7.012 3.768 3.287 1.00 0.00 S ATOM 1038 CE MET A 235 -6.367 2.943 4.762 1.00 0.00 C ATOM 0 H MET A 235 -8.942 6.787 6.737 1.00 0.00 H new ATOM 0 HA MET A 235 -8.908 6.834 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.945 6.755 5.489 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.311 5.066 5.781 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.892 6.161 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.556 5.584 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.945 1.977 4.484 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.592 3.561 5.215 1.00 0.00 H new ATOM 0 HE3 MET A 235 -7.175 2.793 5.478 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.968 4.036 5.268 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.654 2.773 4.914 1.00 0.00 C ATOM 1050 C VAL A 236 -11.887 3.138 4.092 1.00 0.00 C ATOM 1051 O VAL A 236 -12.202 2.490 3.118 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.070 2.034 6.189 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.962 0.851 5.816 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.825 1.521 6.910 1.00 0.00 C ATOM 0 H VAL A 236 -9.870 4.218 6.267 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.994 2.120 4.343 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.615 2.714 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.261 0.321 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.850 1.214 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.413 0.173 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.121 0.995 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.281 0.839 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.183 2.362 7.171 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.567 4.188 4.465 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.761 4.627 3.698 1.00 0.00 C ATOM 1066 C VAL A 237 -13.302 5.160 2.339 1.00 0.00 C ATOM 1067 O VAL A 237 -14.016 5.091 1.359 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.482 5.725 4.484 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.617 6.309 3.644 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -15.055 5.120 5.764 1.00 0.00 C ATOM 0 H VAL A 237 -12.342 4.764 5.276 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.446 3.793 3.545 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.778 6.520 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.125 7.089 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.209 6.734 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.328 5.521 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.571 5.893 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.758 4.327 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.245 4.707 6.366 1.00 0.00 H new ATOM 1080 N ALA A 238 -12.115 5.706 2.282 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.600 6.260 0.990 1.00 0.00 C ATOM 1082 C ALA A 238 -11.535 5.165 -0.079 1.00 0.00 C ATOM 1083 O ALA A 238 -11.853 5.399 -1.232 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.190 6.806 1.201 1.00 0.00 C ATOM 0 H ALA A 238 -11.478 5.793 3.074 1.00 0.00 H new ATOM 0 HA ALA A 238 -12.275 7.050 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.812 7.210 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.214 7.595 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.536 6.003 1.540 1.00 0.00 H new ATOM 1090 N CYS A 239 -11.122 3.975 0.281 1.00 0.00 N ATOM 1091 CA CYS A 239 -11.044 2.883 -0.732 1.00 0.00 C ATOM 1092 C CYS A 239 -12.457 2.455 -1.124 1.00 0.00 C ATOM 1093 O CYS A 239 -12.842 2.542 -2.273 1.00 0.00 O ATOM 1094 CB CYS A 239 -10.296 1.689 -0.142 1.00 0.00 C ATOM 1095 SG CYS A 239 -9.984 0.488 -1.457 1.00 0.00 S ATOM 0 H CYS A 239 -10.838 3.716 1.226 1.00 0.00 H new ATOM 0 HA CYS A 239 -10.513 3.242 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -9.355 2.015 0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -10.883 1.232 0.655 1.00 0.00 H new ATOM 0 HG CYS A 239 -8.753 0.077 -1.386 1.00 0.00 H new ATOM 1101 N ARG A 240 -13.239 2.000 -0.178 1.00 0.00 N ATOM 1102 CA ARG A 240 -14.636 1.570 -0.506 1.00 0.00 C ATOM 1103 C ARG A 240 -15.604 2.748 -0.369 1.00 0.00 C ATOM 1104 O ARG A 240 -16.695 2.603 0.137 1.00 0.00 O ATOM 1105 CB ARG A 240 -15.076 0.445 0.440 1.00 0.00 C ATOM 1106 CG ARG A 240 -14.301 -0.831 0.118 1.00 0.00 C ATOM 1107 CD ARG A 240 -14.825 -1.973 0.990 1.00 0.00 C ATOM 1108 NE ARG A 240 -16.273 -2.177 0.698 1.00 0.00 N ATOM 1109 CZ ARG A 240 -16.875 -3.261 1.096 1.00 0.00 C ATOM 1110 NH1 ARG A 240 -16.196 -4.187 1.706 1.00 0.00 N ATOM 1111 NH2 ARG A 240 -18.149 -3.414 0.868 1.00 0.00 N ATOM 0 H ARG A 240 -12.974 1.907 0.803 1.00 0.00 H new ATOM 0 HA ARG A 240 -14.651 1.210 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -14.900 0.738 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -16.146 0.268 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -14.413 -1.082 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -13.237 -0.679 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -14.267 -2.888 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -14.682 -1.738 2.045 1.00 0.00 H new ATOM 0 HE ARG A 240 -16.793 -1.465 0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -15.197 -4.062 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -16.662 -5.038 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -18.671 -2.686 0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -18.624 -4.262 1.178 1.00 0.00 H new ATOM 1125 N GLU A 241 -15.228 3.909 -0.825 1.00 0.00 N ATOM 1126 CA GLU A 241 -16.156 5.077 -0.726 1.00 0.00 C ATOM 1127 C GLU A 241 -17.450 4.790 -1.518 1.00 0.00 C ATOM 1128 O GLU A 241 -17.428 4.224 -2.597 1.00 0.00 O ATOM 1129 CB GLU A 241 -15.460 6.314 -1.293 1.00 0.00 C ATOM 1130 CG GLU A 241 -16.326 7.565 -1.071 1.00 0.00 C ATOM 1131 CD GLU A 241 -17.439 7.621 -2.115 1.00 0.00 C ATOM 1132 OE1 GLU A 241 -17.122 7.723 -3.289 1.00 0.00 O ATOM 1133 OE2 GLU A 241 -18.588 7.571 -1.722 1.00 0.00 O ATOM 0 H GLU A 241 -14.326 4.103 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 241 -16.418 5.250 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -14.490 6.445 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -15.273 6.178 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -16.756 7.547 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -15.709 8.461 -1.137 1.00 0.00 H new ATOM 1140 N GLY A 242 -18.582 5.180 -0.980 1.00 0.00 N ATOM 1141 CA GLY A 242 -19.881 4.932 -1.676 1.00 0.00 C ATOM 1142 C GLY A 242 -20.960 5.843 -1.086 1.00 0.00 C ATOM 1143 O GLY A 242 -20.742 7.021 -0.887 1.00 0.00 O ATOM 0 H GLY A 242 -18.660 5.662 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 242 -19.775 5.121 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 242 -20.172 3.887 -1.565 1.00 0.00 H new ATOM 1147 N GLU A 243 -22.125 5.307 -0.804 1.00 0.00 N ATOM 1148 CA GLU A 243 -23.226 6.148 -0.226 1.00 0.00 C ATOM 1149 C GLU A 243 -24.105 5.283 0.668 1.00 0.00 C ATOM 1150 O GLU A 243 -24.926 4.515 0.202 1.00 0.00 O ATOM 1151 CB GLU A 243 -24.099 6.722 -1.344 1.00 0.00 C ATOM 1152 CG GLU A 243 -23.319 7.765 -2.157 1.00 0.00 C ATOM 1153 CD GLU A 243 -22.927 8.949 -1.268 1.00 0.00 C ATOM 1154 OE1 GLU A 243 -23.720 9.318 -0.414 1.00 0.00 O ATOM 1155 OE2 GLU A 243 -21.843 9.471 -1.465 1.00 0.00 O ATOM 0 H GLU A 243 -22.362 4.325 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 243 -22.779 6.961 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 243 -24.434 5.919 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 243 -24.992 7.179 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 243 -22.425 7.310 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 243 -23.927 8.114 -2.992 1.00 0.00 H new ATOM 1162 N HIS A 244 -23.944 5.414 1.958 1.00 0.00 N ATOM 1163 CA HIS A 244 -24.766 4.613 2.904 1.00 0.00 C ATOM 1164 C HIS A 244 -25.971 5.446 3.341 1.00 0.00 C ATOM 1165 O HIS A 244 -26.799 4.999 4.112 1.00 0.00 O ATOM 1166 CB HIS A 244 -23.913 4.257 4.129 1.00 0.00 C ATOM 1167 CG HIS A 244 -22.825 3.298 3.730 1.00 0.00 C ATOM 1168 ND1 HIS A 244 -21.598 3.725 3.254 1.00 0.00 N ATOM 1169 CD2 HIS A 244 -22.760 1.931 3.760 1.00 0.00 C ATOM 1170 CE1 HIS A 244 -20.848 2.628 3.022 1.00 0.00 C ATOM 1171 NE2 HIS A 244 -21.512 1.504 3.314 1.00 0.00 N ATOM 0 H HIS A 244 -23.274 6.046 2.397 1.00 0.00 H new ATOM 0 HA HIS A 244 -25.110 3.698 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 244 -23.476 5.160 4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 244 -24.539 3.811 4.902 1.00 0.00 H new ATOM 0 HD2 HIS A 244 -23.559 1.280 4.082 1.00 0.00 H new ATOM 0 HE1 HIS A 244 -19.836 2.654 2.647 1.00 0.00 H new ATOM 0 HE2 HIS A 244 -21.177 0.544 3.229 1.00 0.00 H new ATOM 1179 N ALA A 245 -26.085 6.659 2.856 1.00 0.00 N ATOM 1180 CA ALA A 245 -27.244 7.495 3.262 1.00 0.00 C ATOM 1181 C ALA A 245 -27.376 8.693 2.308 1.00 0.00 C ATOM 1182 O ALA A 245 -26.681 8.778 1.310 1.00 0.00 O ATOM 1183 CB ALA A 245 -27.033 7.988 4.701 1.00 0.00 C ATOM 0 H ALA A 245 -25.432 7.097 2.206 1.00 0.00 H new ATOM 0 HA ALA A 245 -28.159 6.904 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 245 -27.881 8.602 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 245 -26.948 7.132 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 245 -26.120 8.581 4.752 1.00 0.00 H new ATOM 1189 N LEU A 246 -28.275 9.610 2.599 1.00 0.00 N ATOM 1190 CA LEU A 246 -28.471 10.790 1.711 1.00 0.00 C ATOM 1191 C LEU A 246 -27.442 11.865 2.060 1.00 0.00 C ATOM 1192 O LEU A 246 -27.337 12.868 1.391 1.00 0.00 O ATOM 1193 CB LEU A 246 -29.896 11.341 1.907 1.00 0.00 C ATOM 1194 CG LEU A 246 -30.925 10.265 1.514 1.00 0.00 C ATOM 1195 CD1 LEU A 246 -32.328 10.711 1.952 1.00 0.00 C ATOM 1196 CD2 LEU A 246 -30.923 10.039 -0.012 1.00 0.00 C ATOM 0 H LEU A 246 -28.881 9.585 3.419 1.00 0.00 H new ATOM 0 HA LEU A 246 -28.339 10.496 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -30.043 11.637 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -30.038 12.234 1.298 1.00 0.00 H new ATOM 0 HG LEU A 246 -30.655 9.333 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -33.056 9.949 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -32.345 10.851 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -32.581 11.651 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -31.657 9.275 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -31.177 10.970 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -29.933 9.712 -0.330 1.00 0.00 H new ATOM 1208 N MET A 247 -26.677 11.661 3.095 1.00 0.00 N ATOM 1209 CA MET A 247 -25.642 12.668 3.476 1.00 0.00 C ATOM 1210 C MET A 247 -26.294 14.033 3.658 1.00 0.00 C ATOM 1211 O MET A 247 -26.355 14.775 2.689 1.00 0.00 O ATOM 1212 CB MET A 247 -24.575 12.750 2.380 1.00 0.00 C ATOM 1213 CG MET A 247 -23.454 13.696 2.817 1.00 0.00 C ATOM 1214 SD MET A 247 -22.211 13.782 1.506 1.00 0.00 S ATOM 1215 CE MET A 247 -20.922 14.611 2.468 1.00 0.00 C ATOM 1216 OXT MET A 247 -26.723 14.310 4.765 1.00 0.00 O ATOM 0 H MET A 247 -26.722 10.839 3.697 1.00 0.00 H new ATOM 0 HA MET A 247 -25.175 12.365 4.413 1.00 0.00 H new ATOM 0 HB2 MET A 247 -24.169 11.758 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 247 -25.021 13.105 1.451 1.00 0.00 H new ATOM 0 HG2 MET A 247 -23.857 14.688 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 247 -23.001 13.341 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 247 -20.044 14.767 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 247 -21.293 15.574 2.820 1.00 0.00 H new ATOM 0 HE3 MET A 247 -20.652 13.992 3.324 1.00 0.00 H new TER 1226 MET A 247