USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 347 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 220 THR OG1 : rot 88:sc= -0.357! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -0.13 K(o=-0.49,f=-9.7!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.8!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -123:sc= -0.88 USER MOD Single : A 223 TYR OH : rot -30:sc= -0.834 USER MOD Single : A 226 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -0.121 F(o=-0.98,f=-0.12) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN :FLIP amide:sc= -0.207 F(o=-0.72,f=-0.21) USER MOD Single : A 238 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 4.495 -18.474 -6.620 1.00 1.00 N ATOM 2 CA GLY A 198 3.117 -18.655 -6.081 1.00 1.00 C ATOM 3 C GLY A 198 2.345 -17.339 -6.198 1.00 1.00 C ATOM 4 O GLY A 198 1.288 -17.279 -6.794 1.00 1.00 O ATOM 0 HA2 GLY A 198 2.601 -19.442 -6.631 1.00 1.00 H new ATOM 0 HA3 GLY A 198 3.162 -18.971 -5.039 1.00 1.00 H new ATOM 10 N SER A 199 2.867 -16.284 -5.634 1.00 1.00 N ATOM 11 CA SER A 199 2.165 -14.970 -5.712 1.00 1.00 C ATOM 12 C SER A 199 0.683 -15.137 -5.364 1.00 1.00 C ATOM 13 O SER A 199 -0.152 -14.357 -5.778 1.00 1.00 O ATOM 14 CB SER A 199 2.327 -14.521 -7.164 1.00 1.00 C ATOM 15 OG SER A 199 3.704 -14.552 -7.515 1.00 1.00 O ATOM 0 H SER A 199 3.749 -16.275 -5.122 1.00 1.00 H new ATOM 0 HA SER A 199 2.574 -14.242 -5.011 1.00 1.00 H new ATOM 0 HB2 SER A 199 1.757 -15.174 -7.824 1.00 1.00 H new ATOM 0 HB3 SER A 199 1.930 -13.514 -7.292 1.00 1.00 H new ATOM 0 HG SER A 199 3.811 -14.266 -8.446 1.00 1.00 H new ATOM 21 N GLU A 200 0.349 -16.146 -4.607 1.00 1.00 N ATOM 22 CA GLU A 200 -1.080 -16.358 -4.234 1.00 1.00 C ATOM 23 C GLU A 200 -1.667 -15.075 -3.643 1.00 1.00 C ATOM 24 O GLU A 200 -2.583 -14.489 -4.186 1.00 1.00 O ATOM 25 CB GLU A 200 -1.057 -17.470 -3.183 1.00 1.00 C ATOM 26 CG GLU A 200 -2.363 -18.265 -3.252 1.00 1.00 C ATOM 27 CD GLU A 200 -3.278 -17.842 -2.102 1.00 1.00 C ATOM 28 OE1 GLU A 200 -3.886 -16.790 -2.212 1.00 1.00 O ATOM 29 OE2 GLU A 200 -3.358 -18.577 -1.132 1.00 1.00 O ATOM 0 H GLU A 200 1.003 -16.833 -4.231 1.00 1.00 H new ATOM 0 HA GLU A 200 -1.695 -16.623 -5.094 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.207 -18.131 -3.356 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.931 -17.042 -2.188 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -2.858 -18.090 -4.208 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -2.155 -19.333 -3.191 1.00 1.00 H new ATOM 36 N ALA A 201 -1.145 -14.637 -2.535 1.00 1.00 N ATOM 37 CA ALA A 201 -1.668 -13.392 -1.900 1.00 1.00 C ATOM 38 C ALA A 201 -1.326 -12.171 -2.760 1.00 1.00 C ATOM 39 O ALA A 201 -0.507 -12.239 -3.655 1.00 1.00 O ATOM 40 CB ALA A 201 -0.957 -13.310 -0.550 1.00 1.00 C ATOM 0 H ALA A 201 -0.376 -15.087 -2.038 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.753 -13.409 -1.792 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.288 -12.418 -0.018 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.195 -14.194 0.041 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.120 -13.259 -0.709 1.00 1.00 H new ATOM 46 N ARG A 202 -1.950 -11.055 -2.497 1.00 1.00 N ATOM 47 CA ARG A 202 -1.663 -9.831 -3.298 1.00 1.00 C ATOM 48 C ARG A 202 -0.264 -9.299 -2.973 1.00 1.00 C ATOM 49 O ARG A 202 0.341 -9.675 -1.988 1.00 1.00 O ATOM 50 CB ARG A 202 -2.731 -8.820 -2.875 1.00 1.00 C ATOM 51 CG ARG A 202 -4.122 -9.394 -3.161 1.00 1.00 C ATOM 52 CD ARG A 202 -4.283 -9.616 -4.668 1.00 1.00 C ATOM 53 NE ARG A 202 -5.717 -9.328 -4.948 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.195 -9.488 -6.153 1.00 1.00 C ATOM 55 NH1 ARG A 202 -5.398 -9.799 -7.140 1.00 1.00 N ATOM 56 NH2 ARG A 202 -7.473 -9.338 -6.371 1.00 1.00 N ATOM 0 H ARG A 202 -2.647 -10.938 -1.761 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.687 -10.026 -4.370 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.631 -8.593 -1.814 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.594 -7.883 -3.416 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.255 -10.335 -2.628 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.890 -8.711 -2.799 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.629 -8.955 -5.237 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.024 -10.637 -4.947 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.327 -9.005 -4.197 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -4.399 -9.918 -6.971 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -5.775 -9.923 -8.080 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -8.097 -9.096 -5.601 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.848 -9.463 -7.311 1.00 1.00 H new ATOM 70 N GLU A 203 0.255 -8.426 -3.794 1.00 1.00 N ATOM 71 CA GLU A 203 1.615 -7.870 -3.535 1.00 1.00 C ATOM 72 C GLU A 203 1.548 -6.345 -3.408 1.00 1.00 C ATOM 73 O GLU A 203 1.219 -5.648 -4.348 1.00 1.00 O ATOM 74 CB GLU A 203 2.444 -8.267 -4.758 1.00 1.00 C ATOM 75 CG GLU A 203 3.795 -8.819 -4.304 1.00 1.00 C ATOM 76 CD GLU A 203 3.774 -10.346 -4.378 1.00 1.00 C ATOM 77 OE1 GLU A 203 2.841 -10.931 -3.851 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.689 -10.906 -4.958 1.00 1.00 O ATOM 0 H GLU A 203 -0.204 -8.073 -4.634 1.00 1.00 H new ATOM 0 HA GLU A 203 2.046 -8.249 -2.608 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.911 -9.017 -5.343 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.592 -7.403 -5.406 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.591 -8.425 -4.935 1.00 1.00 H new ATOM 0 HG3 GLU A 203 4.007 -8.497 -3.285 1.00 1.00 H new ATOM 85 N CYS A 204 1.858 -5.824 -2.255 1.00 1.00 N ATOM 86 CA CYS A 204 1.817 -4.349 -2.063 1.00 1.00 C ATOM 87 C CYS A 204 2.563 -3.643 -3.195 1.00 1.00 C ATOM 88 O CYS A 204 3.767 -3.756 -3.325 1.00 1.00 O ATOM 89 CB CYS A 204 2.528 -4.118 -0.734 1.00 1.00 C ATOM 90 SG CYS A 204 2.395 -2.381 -0.264 1.00 1.00 S ATOM 0 H CYS A 204 2.139 -6.359 -1.433 1.00 1.00 H new ATOM 0 HA CYS A 204 0.800 -3.958 -2.065 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.088 -4.748 0.039 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.577 -4.402 -0.818 1.00 1.00 H new ATOM 95 N VAL A 205 1.862 -2.904 -4.007 1.00 1.00 N ATOM 96 CA VAL A 205 2.534 -2.181 -5.123 1.00 1.00 C ATOM 97 C VAL A 205 3.732 -1.392 -4.586 1.00 1.00 C ATOM 98 O VAL A 205 4.624 -1.022 -5.323 1.00 1.00 O ATOM 99 CB VAL A 205 1.470 -1.231 -5.670 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.434 -2.022 -6.470 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.777 -0.520 -4.506 1.00 1.00 C ATOM 0 H VAL A 205 0.853 -2.769 -3.947 1.00 1.00 H new ATOM 0 HA VAL A 205 2.912 -2.856 -5.891 1.00 1.00 H new ATOM 0 HB VAL A 205 1.943 -0.495 -6.320 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.323 -1.341 -6.858 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.925 -2.530 -7.300 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.040 -2.760 -5.823 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.017 0.158 -4.894 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.306 -1.258 -3.857 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.513 0.047 -3.936 1.00 1.00 H new ATOM 111 N ASN A 206 3.745 -1.112 -3.310 1.00 1.00 N ATOM 112 CA ASN A 206 4.868 -0.326 -2.728 1.00 1.00 C ATOM 113 C ASN A 206 5.990 -1.233 -2.208 1.00 1.00 C ATOM 114 O ASN A 206 7.116 -1.145 -2.654 1.00 1.00 O ATOM 115 CB ASN A 206 4.240 0.450 -1.574 1.00 1.00 C ATOM 116 CG ASN A 206 3.561 1.704 -2.119 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.191 1.754 -3.276 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.385 2.727 -1.333 1.00 1.00 N ATOM 0 H ASN A 206 3.024 -1.395 -2.646 1.00 1.00 H new ATOM 0 HA ASN A 206 5.328 0.321 -3.475 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.513 -0.174 -1.054 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.004 0.723 -0.846 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.936 3.571 -1.688 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.696 2.684 -0.362 1.00 1.00 H new ATOM 125 N CYS A 207 5.714 -2.078 -1.248 1.00 1.00 N ATOM 126 CA CYS A 207 6.796 -2.936 -0.704 1.00 1.00 C ATOM 127 C CYS A 207 6.552 -4.425 -1.011 1.00 1.00 C ATOM 128 O CYS A 207 7.321 -5.278 -0.618 1.00 1.00 O ATOM 129 CB CYS A 207 6.790 -2.633 0.799 1.00 1.00 C ATOM 130 SG CYS A 207 5.446 -3.509 1.635 1.00 1.00 S ATOM 0 H CYS A 207 4.795 -2.207 -0.824 1.00 1.00 H new ATOM 0 HA CYS A 207 7.766 -2.728 -1.155 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.745 -2.925 1.236 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.682 -1.560 0.956 1.00 1.00 H new ATOM 135 N GLY A 208 5.508 -4.741 -1.734 1.00 1.00 N ATOM 136 CA GLY A 208 5.243 -6.170 -2.093 1.00 1.00 C ATOM 137 C GLY A 208 4.753 -6.947 -0.871 1.00 1.00 C ATOM 138 O GLY A 208 4.566 -8.146 -0.915 1.00 1.00 O ATOM 0 H GLY A 208 4.826 -4.072 -2.092 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.497 -6.220 -2.886 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.152 -6.628 -2.482 1.00 1.00 H new ATOM 142 N ALA A 209 4.541 -6.270 0.215 1.00 1.00 N ATOM 143 CA ALA A 209 4.060 -6.949 1.446 1.00 1.00 C ATOM 144 C ALA A 209 2.976 -7.969 1.100 1.00 1.00 C ATOM 145 O ALA A 209 1.945 -7.631 0.557 1.00 1.00 O ATOM 146 CB ALA A 209 3.479 -5.823 2.301 1.00 1.00 C ATOM 0 H ALA A 209 4.681 -5.264 0.306 1.00 1.00 H new ATOM 0 HA ALA A 209 4.853 -7.494 1.959 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.098 -6.235 3.235 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.258 -5.092 2.518 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.666 -5.338 1.760 1.00 1.00 H new ATOM 152 N THR A 210 3.201 -9.214 1.411 1.00 1.00 N ATOM 153 CA THR A 210 2.183 -10.257 1.099 1.00 1.00 C ATOM 154 C THR A 210 1.441 -10.660 2.376 1.00 1.00 C ATOM 155 O THR A 210 0.449 -11.358 2.336 1.00 1.00 O ATOM 156 CB THR A 210 2.986 -11.436 0.548 1.00 1.00 C ATOM 157 OG1 THR A 210 4.071 -10.947 -0.227 1.00 1.00 O ATOM 158 CG2 THR A 210 2.081 -12.305 -0.326 1.00 1.00 C ATOM 0 H THR A 210 4.046 -9.556 1.868 1.00 1.00 H new ATOM 0 HA THR A 210 1.432 -9.910 0.390 1.00 1.00 H new ATOM 0 HB THR A 210 3.371 -12.033 1.374 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.587 -11.702 -0.580 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.653 -13.146 -0.719 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.249 -12.679 0.271 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.695 -11.710 -1.154 1.00 1.00 H new ATOM 166 N ALA A 211 1.918 -10.220 3.508 1.00 1.00 N ATOM 167 CA ALA A 211 1.243 -10.568 4.791 1.00 1.00 C ATOM 168 C ALA A 211 0.705 -9.303 5.466 1.00 1.00 C ATOM 169 O ALA A 211 1.318 -8.754 6.359 1.00 1.00 O ATOM 170 CB ALA A 211 2.332 -11.209 5.651 1.00 1.00 C ATOM 0 H ALA A 211 2.747 -9.634 3.600 1.00 1.00 H new ATOM 0 HA ALA A 211 0.394 -11.235 4.642 1.00 1.00 H new ATOM 0 HB1 ALA A 211 1.913 -11.494 6.616 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.719 -12.095 5.147 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.142 -10.496 5.804 1.00 1.00 H new ATOM 176 N THR A 212 -0.441 -8.836 5.045 1.00 1.00 N ATOM 177 CA THR A 212 -1.016 -7.606 5.665 1.00 1.00 C ATOM 178 C THR A 212 -2.398 -7.908 6.251 1.00 1.00 C ATOM 179 O THR A 212 -3.099 -8.778 5.773 1.00 1.00 O ATOM 180 CB THR A 212 -1.131 -6.603 4.516 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.731 -5.407 4.995 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.990 -7.198 3.401 1.00 1.00 C ATOM 0 H THR A 212 -1.002 -9.251 4.301 1.00 1.00 H new ATOM 0 HA THR A 212 -0.400 -7.226 6.480 1.00 1.00 H new ATOM 0 HB THR A 212 -0.138 -6.381 4.124 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.538 -5.214 4.474 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.071 -6.482 2.583 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.528 -8.115 3.036 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.984 -7.421 3.788 1.00 1.00 H new ATOM 190 N PRO A 213 -2.743 -7.170 7.271 1.00 1.00 N ATOM 191 CA PRO A 213 -4.059 -7.354 7.935 1.00 1.00 C ATOM 192 C PRO A 213 -5.186 -6.811 7.051 1.00 1.00 C ATOM 193 O PRO A 213 -6.350 -7.067 7.286 1.00 1.00 O ATOM 194 CB PRO A 213 -3.929 -6.534 9.216 1.00 1.00 C ATOM 195 CG PRO A 213 -2.887 -5.505 8.913 1.00 1.00 C ATOM 196 CD PRO A 213 -1.951 -6.108 7.898 1.00 1.00 C ATOM 0 HA PRO A 213 -4.301 -8.400 8.125 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.877 -6.068 9.484 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.632 -7.160 10.057 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.345 -4.596 8.522 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.347 -5.226 9.818 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.625 -5.368 7.167 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.053 -6.506 8.370 1.00 1.00 H new ATOM 204 N LEU A 214 -4.848 -6.062 6.035 1.00 1.00 N ATOM 205 CA LEU A 214 -5.899 -5.501 5.136 1.00 1.00 C ATOM 206 C LEU A 214 -5.247 -4.829 3.923 1.00 1.00 C ATOM 207 O LEU A 214 -4.229 -4.175 4.037 1.00 1.00 O ATOM 208 CB LEU A 214 -6.639 -4.469 5.988 1.00 1.00 C ATOM 209 CG LEU A 214 -7.747 -3.817 5.159 1.00 1.00 C ATOM 210 CD1 LEU A 214 -8.661 -4.899 4.584 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.566 -2.883 6.054 1.00 1.00 C ATOM 0 H LEU A 214 -3.890 -5.814 5.789 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.571 -6.269 4.753 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.065 -4.949 6.869 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -5.943 -3.710 6.344 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.303 -3.247 4.343 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -9.450 -4.433 3.994 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.079 -5.567 3.949 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.107 -5.470 5.399 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.357 -2.417 5.466 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.009 -3.456 6.869 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.916 -2.111 6.465 1.00 1.00 H new ATOM 223 N TRP A 215 -5.823 -4.986 2.762 1.00 1.00 N ATOM 224 CA TRP A 215 -5.231 -4.359 1.547 1.00 1.00 C ATOM 225 C TRP A 215 -5.942 -3.044 1.219 1.00 1.00 C ATOM 226 O TRP A 215 -5.398 -1.972 1.391 1.00 1.00 O ATOM 227 CB TRP A 215 -5.455 -5.378 0.432 1.00 1.00 C ATOM 228 CG TRP A 215 -4.511 -6.524 0.607 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.786 -7.655 1.297 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.154 -6.675 0.097 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.686 -8.492 1.243 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.654 -7.932 0.513 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.314 -5.853 -0.679 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.369 -8.358 0.173 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.020 -6.279 -1.023 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.550 -7.529 -0.597 1.00 1.00 C ATOM 0 H TRP A 215 -6.677 -5.521 2.603 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.176 -4.120 1.682 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.485 -5.735 0.452 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.299 -4.910 -0.540 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.714 -7.869 1.807 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.642 -9.409 1.687 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.667 -4.888 -1.012 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.011 -9.322 0.503 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.384 -5.640 -1.618 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.446 -7.851 -0.864 1.00 1.00 H new ATOM 247 N ARG A 216 -7.154 -3.117 0.739 1.00 1.00 N ATOM 248 CA ARG A 216 -7.893 -1.867 0.395 1.00 1.00 C ATOM 249 C ARG A 216 -7.139 -1.104 -0.697 1.00 1.00 C ATOM 250 O ARG A 216 -5.965 -0.818 -0.567 1.00 1.00 O ATOM 251 CB ARG A 216 -7.931 -1.058 1.692 1.00 1.00 C ATOM 252 CG ARG A 216 -9.382 -0.738 2.058 1.00 1.00 C ATOM 253 CD ARG A 216 -10.122 -0.219 0.822 1.00 1.00 C ATOM 254 NE ARG A 216 -10.659 1.110 1.226 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.889 1.213 1.651 1.00 1.00 C ATOM 256 NH1 ARG A 216 -12.491 0.176 2.164 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.516 2.355 1.560 1.00 1.00 N ATOM 0 H ARG A 216 -7.663 -3.984 0.570 1.00 1.00 H new ATOM 0 HA ARG A 216 -8.895 -2.065 0.015 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.458 -1.621 2.497 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.364 -0.135 1.573 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.876 -1.631 2.442 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.411 0.009 2.852 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.451 -0.131 -0.032 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.924 -0.896 0.528 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.067 1.939 1.171 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.001 -0.716 2.233 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.452 0.257 2.496 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.045 3.165 1.157 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.477 2.437 1.892 1.00 1.00 H new ATOM 271 N ARG A 217 -7.798 -0.775 -1.774 1.00 1.00 N ATOM 272 CA ARG A 217 -7.110 -0.038 -2.870 1.00 1.00 C ATOM 273 C ARG A 217 -7.223 1.473 -2.654 1.00 1.00 C ATOM 274 O ARG A 217 -7.846 1.933 -1.718 1.00 1.00 O ATOM 275 CB ARG A 217 -7.840 -0.450 -4.147 1.00 1.00 C ATOM 276 CG ARG A 217 -7.550 -1.920 -4.457 1.00 1.00 C ATOM 277 CD ARG A 217 -8.829 -2.601 -4.952 1.00 1.00 C ATOM 278 NE ARG A 217 -8.798 -2.447 -6.433 1.00 1.00 N ATOM 279 CZ ARG A 217 -8.702 -3.504 -7.197 1.00 1.00 C ATOM 280 NH1 ARG A 217 -7.537 -4.042 -7.423 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.774 -4.017 -7.736 1.00 1.00 N ATOM 0 H ARG A 217 -8.782 -0.985 -1.942 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.046 -0.272 -2.913 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.913 -0.298 -4.029 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.519 0.177 -4.979 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.769 -1.996 -5.214 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.179 -2.424 -3.565 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.853 -3.652 -4.665 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.716 -2.133 -4.525 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.852 -1.518 -6.851 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -6.699 -3.639 -7.004 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -7.463 -4.866 -8.019 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.685 -3.594 -7.561 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.701 -4.841 -8.332 1.00 1.00 H new ATOM 295 N ASP A 218 -6.618 2.247 -3.514 1.00 1.00 N ATOM 296 CA ASP A 218 -6.678 3.725 -3.366 1.00 1.00 C ATOM 297 C ASP A 218 -7.242 4.364 -4.639 1.00 1.00 C ATOM 298 O ASP A 218 -7.846 3.705 -5.463 1.00 1.00 O ATOM 299 CB ASP A 218 -5.228 4.158 -3.151 1.00 1.00 C ATOM 300 CG ASP A 218 -4.309 3.389 -4.106 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.815 2.840 -5.070 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.115 3.363 -3.855 1.00 1.00 O ATOM 0 H ASP A 218 -6.083 1.915 -4.316 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.325 4.031 -2.544 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.130 5.230 -3.322 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.933 3.972 -2.119 1.00 1.00 H new ATOM 307 N ARG A 219 -7.049 5.644 -4.804 1.00 1.00 N ATOM 308 CA ARG A 219 -7.571 6.332 -6.020 1.00 1.00 C ATOM 309 C ARG A 219 -7.042 5.659 -7.288 1.00 1.00 C ATOM 310 O ARG A 219 -7.676 5.679 -8.324 1.00 1.00 O ATOM 311 CB ARG A 219 -7.035 7.758 -5.926 1.00 1.00 C ATOM 312 CG ARG A 219 -8.199 8.735 -5.750 1.00 1.00 C ATOM 313 CD ARG A 219 -8.893 8.468 -4.412 1.00 1.00 C ATOM 314 NE ARG A 219 -9.276 9.814 -3.904 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.621 9.968 -2.655 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.999 9.306 -1.719 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.594 10.780 -2.343 1.00 1.00 N ATOM 0 H ARG A 219 -6.551 6.245 -4.147 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.659 6.298 -6.070 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.346 7.843 -5.086 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.473 8.006 -6.826 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.834 9.762 -5.784 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.909 8.622 -6.569 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.768 7.831 -4.541 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.227 7.958 -3.716 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.269 10.617 -4.533 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.242 8.667 -1.963 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.269 9.427 -0.743 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.084 11.294 -3.075 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -10.864 10.901 -1.367 1.00 1.00 H new ATOM 331 N THR A 220 -5.877 5.076 -7.221 1.00 1.00 N ATOM 332 CA THR A 220 -5.310 4.419 -8.430 1.00 1.00 C ATOM 333 C THR A 220 -5.753 2.953 -8.507 1.00 1.00 C ATOM 334 O THR A 220 -5.736 2.346 -9.559 1.00 1.00 O ATOM 335 CB THR A 220 -3.794 4.521 -8.255 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.378 3.635 -7.224 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.423 5.956 -7.881 1.00 1.00 C ATOM 0 H THR A 220 -5.296 5.027 -6.384 1.00 1.00 H new ATOM 0 HA THR A 220 -5.648 4.890 -9.353 1.00 1.00 H new ATOM 0 HB THR A 220 -3.297 4.250 -9.187 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.195 2.751 -7.606 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.343 6.032 -7.756 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.745 6.633 -8.672 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.916 6.228 -6.948 1.00 1.00 H new ATOM 345 N GLY A 221 -6.159 2.384 -7.406 1.00 1.00 N ATOM 346 CA GLY A 221 -6.613 0.968 -7.423 1.00 1.00 C ATOM 347 C GLY A 221 -5.452 0.037 -7.071 1.00 1.00 C ATOM 348 O GLY A 221 -5.470 -1.136 -7.386 1.00 1.00 O ATOM 0 H GLY A 221 -6.196 2.840 -6.495 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.427 0.831 -6.711 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.005 0.716 -8.408 1.00 1.00 H new ATOM 352 N HIS A 222 -4.443 0.543 -6.416 1.00 1.00 N ATOM 353 CA HIS A 222 -3.289 -0.328 -6.044 1.00 1.00 C ATOM 354 C HIS A 222 -3.650 -1.177 -4.822 1.00 1.00 C ATOM 355 O HIS A 222 -4.759 -1.130 -4.331 1.00 1.00 O ATOM 356 CB HIS A 222 -2.151 0.637 -5.714 1.00 1.00 C ATOM 357 CG HIS A 222 -1.598 1.219 -6.987 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.409 1.565 -8.056 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.316 1.522 -7.374 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.615 2.050 -9.027 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.330 2.047 -8.664 1.00 1.00 N ATOM 0 H HIS A 222 -4.366 1.517 -6.123 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.013 -1.017 -6.842 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.513 1.434 -5.065 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.364 0.115 -5.169 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.568 1.376 -6.771 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.973 2.399 -9.984 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.470 2.362 -9.213 1.00 1.00 H new ATOM 369 N TYR A 223 -2.725 -1.954 -4.324 1.00 1.00 N ATOM 370 CA TYR A 223 -3.026 -2.799 -3.134 1.00 1.00 C ATOM 371 C TYR A 223 -1.953 -2.609 -2.060 1.00 1.00 C ATOM 372 O TYR A 223 -1.228 -3.525 -1.728 1.00 1.00 O ATOM 373 CB TYR A 223 -3.006 -4.235 -3.654 1.00 1.00 C ATOM 374 CG TYR A 223 -4.393 -4.634 -4.094 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.480 -4.443 -3.233 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.591 -5.196 -5.361 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.767 -4.815 -3.639 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.879 -5.567 -5.767 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.966 -5.377 -4.906 1.00 1.00 C ATOM 380 OH TYR A 223 -8.235 -5.744 -5.306 1.00 1.00 O ATOM 0 H TYR A 223 -1.777 -2.039 -4.689 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.982 -2.539 -2.678 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.310 -4.320 -4.489 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.653 -4.910 -2.874 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.326 -4.009 -2.256 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.752 -5.343 -6.024 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.606 -4.669 -2.975 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.033 -6.000 -6.744 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.762 -6.006 -4.522 1.00 1.00 H new ATOM 390 N LEU A 224 -1.845 -1.430 -1.511 1.00 1.00 N ATOM 391 CA LEU A 224 -0.817 -1.204 -0.456 1.00 1.00 C ATOM 392 C LEU A 224 -1.078 -2.132 0.733 1.00 1.00 C ATOM 393 O LEU A 224 -2.139 -2.709 0.862 1.00 1.00 O ATOM 394 CB LEU A 224 -0.973 0.261 -0.041 1.00 1.00 C ATOM 395 CG LEU A 224 0.260 1.049 -0.486 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.264 1.176 -2.010 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.224 2.445 0.141 1.00 1.00 C ATOM 0 H LEU A 224 -2.419 -0.620 -1.745 1.00 1.00 H new ATOM 0 HA LEU A 224 0.192 -1.413 -0.812 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.871 0.684 -0.491 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.094 0.333 1.040 1.00 1.00 H new ATOM 0 HG LEU A 224 1.161 0.527 -0.164 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.143 1.738 -2.326 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.288 0.183 -2.458 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.636 1.698 -2.334 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.102 3.008 -0.175 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.677 2.966 -0.182 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.222 2.356 1.227 1.00 1.00 H new ATOM 409 N CYS A 225 -0.116 -2.281 1.596 1.00 1.00 N ATOM 410 CA CYS A 225 -0.297 -3.174 2.773 1.00 1.00 C ATOM 411 C CYS A 225 -0.626 -2.347 4.020 1.00 1.00 C ATOM 412 O CYS A 225 -0.141 -2.618 5.100 1.00 1.00 O ATOM 413 CB CYS A 225 1.050 -3.877 2.933 1.00 1.00 C ATOM 414 SG CYS A 225 2.288 -2.680 3.493 1.00 1.00 S ATOM 0 H CYS A 225 0.793 -1.821 1.538 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.116 -3.880 2.640 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.965 -4.692 3.652 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.357 -4.319 1.985 1.00 1.00 H new ATOM 419 N ASN A 226 -1.445 -1.341 3.878 1.00 1.00 N ATOM 420 CA ASN A 226 -1.803 -0.497 5.056 1.00 1.00 C ATOM 421 C ASN A 226 -0.579 0.286 5.539 1.00 1.00 C ATOM 422 O ASN A 226 -0.591 1.500 5.596 1.00 1.00 O ATOM 423 CB ASN A 226 -2.264 -1.486 6.127 1.00 1.00 C ATOM 424 CG ASN A 226 -3.335 -0.830 7.002 1.00 1.00 C ATOM 425 OD1 ASN A 226 -4.045 0.049 6.555 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.481 -1.221 8.238 1.00 1.00 N ATOM 0 H ASN A 226 -1.882 -1.066 2.998 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.574 0.236 4.819 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.663 -2.386 5.658 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.417 -1.795 6.740 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.191 -0.789 8.829 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.885 -1.959 8.613 1.00 1.00 H new ATOM 433 N ALA A 227 0.478 -0.396 5.889 1.00 1.00 N ATOM 434 CA ALA A 227 1.699 0.312 6.367 1.00 1.00 C ATOM 435 C ALA A 227 2.166 1.327 5.322 1.00 1.00 C ATOM 436 O ALA A 227 2.552 2.433 5.646 1.00 1.00 O ATOM 437 CB ALA A 227 2.745 -0.787 6.560 1.00 1.00 C ATOM 0 H ALA A 227 0.548 -1.413 5.864 1.00 1.00 H new ATOM 0 HA ALA A 227 1.521 0.868 7.287 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.677 -0.345 6.912 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.385 -1.507 7.295 1.00 1.00 H new ATOM 0 HB3 ALA A 227 2.920 -1.293 5.611 1.00 1.00 H new ATOM 443 N CYS A 228 2.130 0.962 4.073 1.00 1.00 N ATOM 444 CA CYS A 228 2.569 1.908 3.006 1.00 1.00 C ATOM 445 C CYS A 228 1.506 2.987 2.794 1.00 1.00 C ATOM 446 O CYS A 228 1.789 4.064 2.307 1.00 1.00 O ATOM 447 CB CYS A 228 2.723 1.053 1.756 1.00 1.00 C ATOM 448 SG CYS A 228 4.242 0.070 1.869 1.00 1.00 S ATOM 0 H CYS A 228 1.816 0.050 3.742 1.00 1.00 H new ATOM 0 HA CYS A 228 3.497 2.420 3.262 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.861 0.396 1.645 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.755 1.689 0.871 1.00 1.00 H new ATOM 453 N GLY A 229 0.284 2.706 3.156 1.00 1.00 N ATOM 454 CA GLY A 229 -0.800 3.713 2.977 1.00 1.00 C ATOM 455 C GLY A 229 -0.818 4.662 4.178 1.00 1.00 C ATOM 456 O GLY A 229 -1.303 5.773 4.095 1.00 1.00 O ATOM 0 H GLY A 229 -0.011 1.821 3.569 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.640 4.276 2.057 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.764 3.213 2.881 1.00 1.00 H new ATOM 460 N LEU A 230 -0.289 4.232 5.291 1.00 1.00 N ATOM 461 CA LEU A 230 -0.271 5.108 6.499 1.00 1.00 C ATOM 462 C LEU A 230 0.090 6.543 6.110 1.00 1.00 C ATOM 463 O LEU A 230 -0.617 7.479 6.425 1.00 1.00 O ATOM 464 CB LEU A 230 0.805 4.513 7.399 1.00 1.00 C ATOM 465 CG LEU A 230 0.423 4.722 8.865 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.379 3.932 9.759 1.00 1.00 C ATOM 467 CD2 LEU A 230 0.519 6.211 9.207 1.00 1.00 C ATOM 0 H LEU A 230 0.132 3.311 5.417 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.242 5.149 6.993 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.920 3.449 7.191 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.766 4.983 7.193 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.597 4.375 9.029 1.00 1.00 H new ATOM 0 HD11 LEU A 230 1.107 4.081 10.804 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.313 2.872 9.514 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.399 4.279 9.597 1.00 1.00 H new ATOM 0 HD21 LEU A 230 0.247 6.363 10.252 1.00 1.00 H new ATOM 0 HD22 LEU A 230 1.540 6.557 9.044 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.161 6.775 8.569 1.00 1.00 H new ATOM 479 N TYR A 231 1.185 6.722 5.424 1.00 1.00 N ATOM 480 CA TYR A 231 1.593 8.096 5.012 1.00 1.00 C ATOM 481 C TYR A 231 0.490 8.742 4.167 1.00 1.00 C ATOM 482 O TYR A 231 0.398 9.950 4.067 1.00 1.00 O ATOM 483 CB TYR A 231 2.859 7.895 4.181 1.00 1.00 C ATOM 484 CG TYR A 231 3.427 9.238 3.788 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.996 9.863 2.612 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.388 9.855 4.596 1.00 1.00 C ATOM 487 CE1 TYR A 231 3.523 11.107 2.246 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.918 11.100 4.229 1.00 1.00 C ATOM 489 CZ TYR A 231 4.485 11.724 3.054 1.00 1.00 C ATOM 490 OH TYR A 231 5.006 12.950 2.693 1.00 1.00 O ATOM 0 H TYR A 231 1.816 5.976 5.130 1.00 1.00 H new ATOM 0 HA TYR A 231 1.764 8.753 5.865 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.596 7.331 4.753 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.632 7.310 3.290 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.256 9.385 1.987 1.00 1.00 H new ATOM 0 HD2 TYR A 231 4.722 9.372 5.503 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.187 11.591 1.340 1.00 1.00 H new ATOM 0 HE2 TYR A 231 5.660 11.577 4.853 1.00 1.00 H new ATOM 0 HH TYR A 231 5.660 13.238 3.363 1.00 1.00 H new ATOM 500 N HIS A 232 -0.344 7.945 3.556 1.00 1.00 N ATOM 501 CA HIS A 232 -1.435 8.507 2.716 1.00 1.00 C ATOM 502 C HIS A 232 -2.557 9.067 3.594 1.00 1.00 C ATOM 503 O HIS A 232 -3.118 10.108 3.314 1.00 1.00 O ATOM 504 CB HIS A 232 -1.942 7.329 1.885 1.00 1.00 C ATOM 505 CG HIS A 232 -2.801 7.841 0.762 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.628 8.872 -0.129 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.023 7.268 0.445 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.722 8.938 -0.986 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.532 7.950 -0.596 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.315 6.927 3.604 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.087 9.330 2.091 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.100 6.764 1.485 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.515 6.647 2.513 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.820 9.494 -0.158 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.482 6.427 0.943 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.882 9.638 -1.793 1.00 1.00 H new ATOM 517 N LYS A 233 -2.890 8.380 4.650 1.00 1.00 N ATOM 518 CA LYS A 233 -3.980 8.866 5.544 1.00 1.00 C ATOM 519 C LYS A 233 -3.461 9.970 6.470 1.00 1.00 C ATOM 520 O LYS A 233 -4.223 10.745 7.015 1.00 1.00 O ATOM 521 CB LYS A 233 -4.408 7.641 6.354 1.00 1.00 C ATOM 522 CG LYS A 233 -3.288 7.241 7.318 1.00 1.00 C ATOM 523 CD LYS A 233 -3.864 6.370 8.436 1.00 1.00 C ATOM 524 CE LYS A 233 -4.641 7.249 9.420 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.205 6.300 10.419 1.00 1.00 N ATOM 0 H LYS A 233 -2.455 7.502 4.934 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.811 9.293 4.982 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -5.319 7.862 6.911 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.637 6.812 5.684 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -2.510 6.697 6.783 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.821 8.131 7.740 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -4.521 5.608 8.016 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -3.060 5.848 8.955 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -3.989 7.982 9.895 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.430 7.806 8.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.752 6.828 11.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -5.827 5.619 9.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -4.430 5.790 10.889 1.00 1.00 H new ATOM 539 N MET A 234 -2.172 10.048 6.654 1.00 1.00 N ATOM 540 CA MET A 234 -1.611 11.102 7.547 1.00 1.00 C ATOM 541 C MET A 234 -1.232 12.339 6.732 1.00 1.00 C ATOM 542 O MET A 234 -1.834 13.387 6.856 1.00 1.00 O ATOM 543 CB MET A 234 -0.369 10.471 8.176 1.00 1.00 C ATOM 544 CG MET A 234 -0.779 9.651 9.400 1.00 1.00 C ATOM 545 SD MET A 234 -0.304 10.535 10.906 1.00 1.00 S ATOM 546 CE MET A 234 -1.266 9.540 12.069 1.00 1.00 C ATOM 0 H MET A 234 -1.484 9.429 6.226 1.00 1.00 H new ATOM 0 HA MET A 234 -2.327 11.427 8.301 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.136 9.833 7.450 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.340 11.247 8.465 1.00 1.00 H new ATOM 0 HG2 MET A 234 -1.855 9.478 9.391 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.299 8.673 9.373 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.118 9.918 13.081 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.323 9.599 11.811 1.00 1.00 H new ATOM 0 HE3 MET A 234 -0.938 8.502 12.018 1.00 1.00 H new ATOM 556 N ASN A 235 -0.239 12.222 5.899 1.00 1.00 N ATOM 557 CA ASN A 235 0.184 13.388 5.072 1.00 1.00 C ATOM 558 C ASN A 235 -0.824 13.627 3.944 1.00 1.00 C ATOM 559 O ASN A 235 -1.006 14.736 3.485 1.00 1.00 O ATOM 560 CB ASN A 235 1.546 12.994 4.500 1.00 1.00 C ATOM 561 CG ASN A 235 2.649 13.413 5.472 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.302 14.419 5.273 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.889 12.678 6.524 1.00 1.00 N ATOM 0 H ASN A 235 0.300 11.369 5.753 1.00 1.00 H new ATOM 0 HA ASN A 235 0.237 14.310 5.652 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.584 11.918 4.332 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.698 13.473 3.533 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.624 12.948 7.178 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.342 11.834 6.692 1.00 1.00 H new ATOM 570 N GLY A 236 -1.480 12.591 3.499 1.00 1.00 N ATOM 571 CA GLY A 236 -2.475 12.750 2.409 1.00 1.00 C ATOM 572 C GLY A 236 -1.843 12.359 1.072 1.00 1.00 C ATOM 573 O GLY A 236 -2.439 11.665 0.271 1.00 1.00 O ATOM 0 H GLY A 236 -1.367 11.639 3.847 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.347 12.127 2.606 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.823 13.782 2.369 1.00 1.00 H new ATOM 577 N GLN A 237 -0.639 12.795 0.823 1.00 1.00 N ATOM 578 CA GLN A 237 0.031 12.445 -0.462 1.00 1.00 C ATOM 579 C GLN A 237 0.515 10.994 -0.428 1.00 1.00 C ATOM 580 O GLN A 237 0.289 10.277 0.526 1.00 1.00 O ATOM 581 CB GLN A 237 1.217 13.403 -0.566 1.00 1.00 C ATOM 582 CG GLN A 237 0.707 14.825 -0.811 1.00 1.00 C ATOM 583 CD GLN A 237 1.327 15.374 -2.096 1.00 1.00 C ATOM 584 OE1 GLN A 237 1.475 14.582 -3.124 1.00 1.00 O flip ATOM 585 NE2 GLN A 237 1.681 16.534 -2.168 1.00 1.00 N flip ATOM 0 H GLN A 237 -0.090 13.379 1.454 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.641 12.536 -1.315 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.806 13.370 0.351 1.00 1.00 H new ATOM 0 HB3 GLN A 237 1.875 13.096 -1.379 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -0.380 14.824 -0.890 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.965 15.466 0.032 1.00 1.00 H new ATOM 0 HE21 GLN A 237 1.566 17.153 -1.366 1.00 1.00 H new ATOM 0 HE22 GLN A 237 2.093 16.889 -3.031 1.00 1.00 H new ATOM 594 N ASN A 238 1.181 10.555 -1.461 1.00 1.00 N ATOM 595 CA ASN A 238 1.679 9.150 -1.483 1.00 1.00 C ATOM 596 C ASN A 238 3.103 9.081 -0.928 1.00 1.00 C ATOM 597 O ASN A 238 3.683 10.082 -0.554 1.00 1.00 O ATOM 598 CB ASN A 238 1.657 8.744 -2.958 1.00 1.00 C ATOM 599 CG ASN A 238 0.269 8.213 -3.318 1.00 1.00 C ATOM 600 OD1 ASN A 238 -0.315 8.623 -4.303 1.00 1.00 O ATOM 601 ND2 ASN A 238 -0.289 7.311 -2.558 1.00 1.00 N ATOM 0 H ASN A 238 1.402 11.107 -2.290 1.00 1.00 H new ATOM 0 HA ASN A 238 1.069 8.488 -0.869 1.00 1.00 H new ATOM 0 HB2 ASN A 238 1.905 9.600 -3.586 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.411 7.980 -3.148 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.214 6.950 -2.790 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.200 6.967 -1.732 1.00 1.00 H new ATOM 608 N ARG A 239 3.671 7.908 -0.871 1.00 1.00 N ATOM 609 CA ARG A 239 5.056 7.774 -0.336 1.00 1.00 C ATOM 610 C ARG A 239 6.067 7.740 -1.485 1.00 1.00 C ATOM 611 O ARG A 239 5.724 7.421 -2.607 1.00 1.00 O ATOM 612 CB ARG A 239 5.063 6.441 0.414 1.00 1.00 C ATOM 613 CG ARG A 239 4.859 6.696 1.909 1.00 1.00 C ATOM 614 CD ARG A 239 4.429 5.396 2.593 1.00 1.00 C ATOM 615 NE ARG A 239 5.693 4.797 3.105 1.00 1.00 N ATOM 616 CZ ARG A 239 6.177 5.177 4.257 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.385 5.300 5.287 1.00 1.00 N ATOM 618 NH2 ARG A 239 7.450 5.435 4.376 1.00 1.00 N ATOM 0 H ARG A 239 3.236 7.036 -1.172 1.00 1.00 H new ATOM 0 HA ARG A 239 5.331 8.610 0.308 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.273 5.793 0.034 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.008 5.923 0.248 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.782 7.066 2.355 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.102 7.466 2.058 1.00 1.00 H new ATOM 0 HD2 ARG A 239 3.727 5.590 3.404 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.930 4.727 1.892 1.00 1.00 H new ATOM 0 HE ARG A 239 6.181 4.090 2.556 1.00 1.00 H new ATOM 0 HH11 ARG A 239 4.389 5.099 5.192 1.00 1.00 H new ATOM 0 HH12 ARG A 239 5.762 5.597 6.187 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.067 5.340 3.569 1.00 1.00 H new ATOM 0 HH22 ARG A 239 7.828 5.732 5.276 1.00 1.00 H new ATOM 632 N PRO A 240 7.287 8.068 -1.159 1.00 1.00 N ATOM 633 CA PRO A 240 8.371 8.072 -2.171 1.00 1.00 C ATOM 634 C PRO A 240 8.760 6.640 -2.549 1.00 1.00 C ATOM 635 O PRO A 240 8.357 6.129 -3.575 1.00 1.00 O ATOM 636 CB PRO A 240 9.518 8.791 -1.464 1.00 1.00 C ATOM 637 CG PRO A 240 9.256 8.608 -0.001 1.00 1.00 C ATOM 638 CD PRO A 240 7.765 8.461 0.171 1.00 1.00 C ATOM 0 HA PRO A 240 8.086 8.557 -3.105 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.482 8.368 -1.747 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.543 9.848 -1.730 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.775 7.727 0.375 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.626 9.462 0.566 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.523 7.707 0.920 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.308 9.395 0.499 1.00 1.00 H new ATOM 646 N LEU A 241 9.541 5.988 -1.731 1.00 1.00 N ATOM 647 CA LEU A 241 9.954 4.590 -2.042 1.00 1.00 C ATOM 648 C LEU A 241 10.661 4.534 -3.398 1.00 1.00 C ATOM 649 O LEU A 241 11.870 4.608 -3.483 1.00 1.00 O ATOM 650 CB LEU A 241 8.654 3.784 -2.081 1.00 1.00 C ATOM 651 CG LEU A 241 8.020 3.768 -0.690 1.00 1.00 C ATOM 652 CD1 LEU A 241 6.602 3.200 -0.783 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.858 2.888 0.239 1.00 1.00 C ATOM 0 H LEU A 241 9.912 6.365 -0.859 1.00 1.00 H new ATOM 0 HA LEU A 241 10.652 4.196 -1.303 1.00 1.00 H new ATOM 0 HB2 LEU A 241 7.964 4.223 -2.802 1.00 1.00 H new ATOM 0 HB3 LEU A 241 8.855 2.765 -2.412 1.00 1.00 H new ATOM 0 HG LEU A 241 7.981 4.783 -0.296 1.00 1.00 H new ATOM 0 HD11 LEU A 241 6.149 3.188 0.208 1.00 1.00 H new ATOM 0 HD12 LEU A 241 6.004 3.823 -1.448 1.00 1.00 H new ATOM 0 HD13 LEU A 241 6.642 2.184 -1.176 1.00 1.00 H new ATOM 0 HD21 LEU A 241 8.408 2.875 1.232 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.894 1.873 -0.156 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.870 3.288 0.305 1.00 1.00 H new ATOM 665 N ILE A 242 9.915 4.407 -4.459 1.00 1.00 N ATOM 666 CA ILE A 242 10.538 4.347 -5.804 1.00 1.00 C ATOM 667 C ILE A 242 9.598 4.950 -6.852 1.00 1.00 C ATOM 668 O ILE A 242 8.392 4.919 -6.709 1.00 1.00 O ATOM 669 CB ILE A 242 10.766 2.861 -6.074 1.00 1.00 C ATOM 670 CG1 ILE A 242 11.902 2.352 -5.183 1.00 1.00 C ATOM 671 CG2 ILE A 242 11.142 2.661 -7.542 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.202 3.065 -5.560 1.00 1.00 C ATOM 0 H ILE A 242 8.897 4.342 -4.450 1.00 1.00 H new ATOM 0 HA ILE A 242 11.468 4.913 -5.852 1.00 1.00 H new ATOM 0 HB ILE A 242 9.853 2.307 -5.855 1.00 1.00 H new ATOM 0 HG12 ILE A 242 11.666 2.533 -4.134 1.00 1.00 H new ATOM 0 HG13 ILE A 242 12.017 1.275 -5.302 1.00 1.00 H new ATOM 0 HG21 ILE A 242 11.305 1.601 -7.735 1.00 1.00 H new ATOM 0 HG22 ILE A 242 10.335 3.026 -8.177 1.00 1.00 H new ATOM 0 HG23 ILE A 242 12.055 3.214 -7.762 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.012 2.704 -4.926 1.00 1.00 H new ATOM 0 HD12 ILE A 242 13.439 2.861 -6.604 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.082 4.139 -5.418 1.00 1.00 H new ATOM 684 N ARG A 243 10.143 5.498 -7.902 1.00 1.00 N ATOM 685 CA ARG A 243 9.284 6.104 -8.960 1.00 1.00 C ATOM 686 C ARG A 243 8.169 5.135 -9.360 1.00 1.00 C ATOM 687 O ARG A 243 8.314 3.953 -9.097 1.00 1.00 O ATOM 688 CB ARG A 243 10.225 6.354 -10.133 1.00 1.00 C ATOM 689 CG ARG A 243 10.565 7.844 -10.204 1.00 1.00 C ATOM 690 CD ARG A 243 10.883 8.227 -11.652 1.00 1.00 C ATOM 691 NE ARG A 243 9.556 8.427 -12.295 1.00 1.00 N ATOM 692 CZ ARG A 243 9.308 9.526 -12.951 1.00 1.00 C ATOM 693 NH1 ARG A 243 9.727 9.663 -14.180 1.00 1.00 N ATOM 694 NH2 ARG A 243 8.642 10.491 -12.378 1.00 1.00 N ATOM 695 OXT ARG A 243 7.189 5.593 -9.926 1.00 0.00 O ATOM 0 H ARG A 243 11.147 5.553 -8.074 1.00 1.00 H new ATOM 0 HA ARG A 243 8.798 7.020 -8.624 1.00 1.00 H new ATOM 0 HB2 ARG A 243 11.136 5.767 -10.014 1.00 1.00 H new ATOM 0 HB3 ARG A 243 9.758 6.032 -11.063 1.00 1.00 H new ATOM 0 HG2 ARG A 243 9.728 8.437 -9.835 1.00 1.00 H new ATOM 0 HG3 ARG A 243 11.418 8.064 -9.563 1.00 1.00 H new ATOM 0 HD2 ARG A 243 11.485 9.135 -11.698 1.00 1.00 H new ATOM 0 HD3 ARG A 243 11.451 7.443 -12.153 1.00 1.00 H new ATOM 0 HE ARG A 243 8.840 7.704 -12.222 1.00 1.00 H new ATOM 0 HH11 ARG A 243 10.249 8.910 -14.628 1.00 1.00 H new ATOM 0 HH12 ARG A 243 9.532 10.523 -14.692 1.00 1.00 H new ATOM 0 HH21 ARG A 243 8.316 10.385 -11.417 1.00 1.00 H new ATOM 0 HH22 ARG A 243 8.448 11.351 -12.891 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.599 -2.126 1.680 1.00 1.00 ZN