USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=7 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 231 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 235 ASN : amide:sc= 0.289 K(o=0.29,f=-1.8!) USER MOD Set 2.1: A 220 THR OG1 : rot 8:sc= -0.186 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -1.81 K(o=-2,f=-2.9!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -7.57! C(o=-7.6!,f=-11!) USER MOD Single : A 210 THR OG1 : rot 42:sc= 0.195 USER MOD Single : A 212 THR OG1 : rot -140:sc= -2! USER MOD Single : A 223 TYR OH : rot 180:sc= -1.12! USER MOD Single : A 226 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.3!) USER MOD Single : A 232 HIS :FLIP no HD1:sc= -1.53 F(o=-2.7!,f=-1.5) 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 237 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 238 ASN : amide:sc=-0.000548 X(o=-0.00055,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 -3.732 -19.446 -7.234 1.00 1.00 N ATOM 2 CA GLY A 198 -2.346 -19.169 -6.758 1.00 1.00 C ATOM 3 C GLY A 198 -2.216 -17.691 -6.390 1.00 1.00 C ATOM 4 O GLY A 198 -3.163 -16.934 -6.482 1.00 1.00 O ATOM 0 HA2 GLY A 198 -2.117 -19.791 -5.893 1.00 1.00 H new ATOM 0 HA3 GLY A 198 -1.626 -19.425 -7.535 1.00 1.00 H new ATOM 10 N SER A 199 -1.054 -17.273 -5.974 1.00 1.00 N ATOM 11 CA SER A 199 -0.865 -15.842 -5.600 1.00 1.00 C ATOM 12 C SER A 199 -2.027 -15.365 -4.727 1.00 1.00 C ATOM 13 O SER A 199 -2.588 -14.309 -4.943 1.00 1.00 O ATOM 14 CB SER A 199 -0.847 -15.085 -6.927 1.00 1.00 C ATOM 15 OG SER A 199 0.470 -14.618 -7.183 1.00 1.00 O ATOM 0 H SER A 199 -0.226 -17.860 -5.876 1.00 1.00 H new ATOM 0 HA SER A 199 0.048 -15.683 -5.027 1.00 1.00 H new ATOM 0 HB2 SER A 199 -1.178 -15.737 -7.735 1.00 1.00 H new ATOM 0 HB3 SER A 199 -1.542 -14.246 -6.890 1.00 1.00 H new ATOM 0 HG SER A 199 0.485 -14.133 -8.035 1.00 1.00 H new ATOM 21 N GLU A 200 -2.396 -16.137 -3.742 1.00 1.00 N ATOM 22 CA GLU A 200 -3.523 -15.729 -2.856 1.00 1.00 C ATOM 23 C GLU A 200 -3.281 -14.322 -2.308 1.00 1.00 C ATOM 24 O GLU A 200 -4.080 -13.426 -2.490 1.00 1.00 O ATOM 25 CB GLU A 200 -3.521 -16.754 -1.720 1.00 1.00 C ATOM 26 CG GLU A 200 -4.922 -16.850 -1.115 1.00 1.00 C ATOM 27 CD GLU A 200 -4.847 -17.570 0.233 1.00 1.00 C ATOM 28 OE1 GLU A 200 -4.069 -17.139 1.069 1.00 1.00 O ATOM 29 OE2 GLU A 200 -5.567 -18.538 0.405 1.00 1.00 O ATOM 0 H GLU A 200 -1.966 -17.033 -3.512 1.00 1.00 H new ATOM 0 HA GLU A 200 -4.477 -15.704 -3.383 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -3.208 -17.728 -2.096 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.802 -16.462 -0.954 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -5.342 -15.853 -0.984 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.586 -17.389 -1.791 1.00 1.00 H new ATOM 36 N ALA A 201 -2.184 -14.128 -1.637 1.00 1.00 N ATOM 37 CA ALA A 201 -1.880 -12.781 -1.072 1.00 1.00 C ATOM 38 C ALA A 201 -1.376 -11.843 -2.171 1.00 1.00 C ATOM 39 O ALA A 201 -0.491 -12.183 -2.933 1.00 1.00 O ATOM 40 CB ALA A 201 -0.785 -13.027 -0.035 1.00 1.00 C ATOM 0 H ALA A 201 -1.481 -14.844 -1.453 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.760 -12.310 -0.635 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -0.504 -12.081 0.429 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.155 -13.710 0.730 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.086 -13.465 -0.522 1.00 1.00 H new ATOM 46 N ARG A 202 -1.928 -10.665 -2.259 1.00 1.00 N ATOM 47 CA ARG A 202 -1.478 -9.706 -3.307 1.00 1.00 C ATOM 48 C ARG A 202 -0.070 -9.195 -2.985 1.00 1.00 C ATOM 49 O ARG A 202 0.566 -9.647 -2.053 1.00 1.00 O ATOM 50 CB ARG A 202 -2.488 -8.561 -3.255 1.00 1.00 C ATOM 51 CG ARG A 202 -3.383 -8.613 -4.495 1.00 1.00 C ATOM 52 CD ARG A 202 -2.549 -8.295 -5.739 1.00 1.00 C ATOM 53 NE ARG A 202 -3.546 -7.977 -6.798 1.00 1.00 N ATOM 54 CZ ARG A 202 -3.200 -8.026 -8.056 1.00 1.00 C ATOM 55 NH1 ARG A 202 -3.325 -9.140 -8.722 1.00 1.00 N ATOM 56 NH2 ARG A 202 -2.729 -6.962 -8.645 1.00 1.00 N ATOM 0 H ARG A 202 -2.672 -10.324 -1.650 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.432 -10.164 -4.295 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.094 -8.638 -2.352 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -1.967 -7.604 -3.209 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.835 -9.600 -4.589 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.199 -7.897 -4.398 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.880 -7.453 -5.561 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.926 -9.143 -6.024 1.00 1.00 H new ATOM 0 HE ARG A 202 -4.499 -7.721 -6.541 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -3.693 -9.972 -8.260 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -3.055 -9.180 -9.705 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -2.631 -6.091 -8.123 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -2.459 -7.001 -9.628 1.00 1.00 H new ATOM 70 N GLU A 203 0.419 -8.256 -3.746 1.00 1.00 N ATOM 71 CA GLU A 203 1.783 -7.713 -3.480 1.00 1.00 C ATOM 72 C GLU A 203 1.727 -6.187 -3.372 1.00 1.00 C ATOM 73 O GLU A 203 1.373 -5.500 -4.310 1.00 1.00 O ATOM 74 CB GLU A 203 2.623 -8.137 -4.683 1.00 1.00 C ATOM 75 CG GLU A 203 4.020 -8.544 -4.209 1.00 1.00 C ATOM 76 CD GLU A 203 5.068 -8.026 -5.196 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.677 -7.456 -6.200 1.00 1.00 O ATOM 78 OE2 GLU A 203 6.245 -8.207 -4.929 1.00 1.00 O ATOM 0 H GLU A 203 -0.066 -7.840 -4.541 1.00 1.00 H new ATOM 0 HA GLU A 203 2.202 -8.084 -2.545 1.00 1.00 H new ATOM 0 HB2 GLU A 203 2.145 -8.970 -5.199 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.694 -7.317 -5.398 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.210 -8.139 -3.215 1.00 1.00 H new ATOM 0 HG3 GLU A 203 4.086 -9.629 -4.129 1.00 1.00 H new ATOM 85 N CYS A 204 2.069 -5.654 -2.232 1.00 1.00 N ATOM 86 CA CYS A 204 2.031 -4.178 -2.056 1.00 1.00 C ATOM 87 C CYS A 204 2.787 -3.477 -3.187 1.00 1.00 C ATOM 88 O CYS A 204 3.998 -3.550 -3.275 1.00 1.00 O ATOM 89 CB CYS A 204 2.724 -3.930 -0.723 1.00 1.00 C ATOM 90 SG CYS A 204 2.574 -2.186 -0.285 1.00 1.00 S ATOM 0 H CYS A 204 2.374 -6.180 -1.413 1.00 1.00 H new ATOM 0 HA CYS A 204 1.013 -3.790 -2.075 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.277 -4.551 0.053 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.775 -4.211 -0.789 1.00 1.00 H new ATOM 95 N VAL A 205 2.087 -2.787 -4.042 1.00 1.00 N ATOM 96 CA VAL A 205 2.770 -2.068 -5.154 1.00 1.00 C ATOM 97 C VAL A 205 3.903 -1.197 -4.600 1.00 1.00 C ATOM 98 O VAL A 205 4.787 -0.779 -5.324 1.00 1.00 O ATOM 99 CB VAL A 205 1.682 -1.198 -5.783 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.577 -2.088 -6.354 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.092 -0.275 -4.717 1.00 1.00 C ATOM 0 H VAL A 205 1.072 -2.689 -4.020 1.00 1.00 H new ATOM 0 HA VAL A 205 3.218 -2.749 -5.878 1.00 1.00 H new ATOM 0 HB VAL A 205 2.115 -0.601 -6.586 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.197 -1.465 -6.802 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.997 -2.747 -7.114 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.143 -2.687 -5.554 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.316 0.347 -5.163 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.661 -0.874 -3.915 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.878 0.362 -4.311 1.00 1.00 H new ATOM 111 N ASN A 206 3.872 -0.902 -3.328 1.00 1.00 N ATOM 112 CA ASN A 206 4.931 -0.037 -2.734 1.00 1.00 C ATOM 113 C ASN A 206 6.106 -0.864 -2.193 1.00 1.00 C ATOM 114 O ASN A 206 7.236 -0.674 -2.595 1.00 1.00 O ATOM 115 CB ASN A 206 4.235 0.703 -1.595 1.00 1.00 C ATOM 116 CG ASN A 206 3.442 1.879 -2.160 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.043 1.865 -3.308 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.193 2.909 -1.399 1.00 1.00 N ATOM 0 H ASN A 206 3.158 -1.223 -2.674 1.00 1.00 H new ATOM 0 HA ASN A 206 5.357 0.636 -3.478 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.569 0.025 -1.060 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.972 1.060 -0.875 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.665 3.700 -1.768 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.527 2.924 -0.435 1.00 1.00 H new ATOM 125 N CYS A 207 5.868 -1.754 -1.262 1.00 1.00 N ATOM 126 CA CYS A 207 6.997 -2.536 -0.698 1.00 1.00 C ATOM 127 C CYS A 207 6.845 -4.042 -0.975 1.00 1.00 C ATOM 128 O CYS A 207 7.696 -4.833 -0.617 1.00 1.00 O ATOM 129 CB CYS A 207 6.962 -2.214 0.799 1.00 1.00 C ATOM 130 SG CYS A 207 5.665 -3.162 1.630 1.00 1.00 S ATOM 0 H CYS A 207 4.949 -1.968 -0.875 1.00 1.00 H new ATOM 0 HA CYS A 207 7.953 -2.274 -1.151 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.929 -2.442 1.247 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.788 -1.148 0.942 1.00 1.00 H new ATOM 135 N GLY A 208 5.789 -4.446 -1.633 1.00 1.00 N ATOM 136 CA GLY A 208 5.617 -5.897 -1.960 1.00 1.00 C ATOM 137 C GLY A 208 5.163 -6.682 -0.726 1.00 1.00 C ATOM 138 O GLY A 208 5.117 -7.896 -0.732 1.00 1.00 O ATOM 0 H GLY A 208 5.039 -3.837 -1.958 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.884 -6.010 -2.759 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.557 -6.305 -2.331 1.00 1.00 H new ATOM 142 N ALA A 209 4.820 -6.001 0.325 1.00 1.00 N ATOM 143 CA ALA A 209 4.363 -6.705 1.555 1.00 1.00 C ATOM 144 C ALA A 209 3.300 -7.747 1.195 1.00 1.00 C ATOM 145 O ALA A 209 2.212 -7.413 0.769 1.00 1.00 O ATOM 146 CB ALA A 209 3.763 -5.604 2.430 1.00 1.00 C ATOM 0 H ALA A 209 4.835 -4.983 0.389 1.00 1.00 H new ATOM 0 HA ALA A 209 5.170 -7.235 2.061 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.400 -6.037 3.362 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.526 -4.858 2.650 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.935 -5.131 1.903 1.00 1.00 H new ATOM 152 N THR A 210 3.607 -9.006 1.355 1.00 1.00 N ATOM 153 CA THR A 210 2.613 -10.062 1.014 1.00 1.00 C ATOM 154 C THR A 210 1.995 -10.647 2.288 1.00 1.00 C ATOM 155 O THR A 210 1.386 -11.697 2.267 1.00 1.00 O ATOM 156 CB THR A 210 3.410 -11.134 0.269 1.00 1.00 C ATOM 157 OG1 THR A 210 4.114 -10.535 -0.809 1.00 1.00 O ATOM 158 CG2 THR A 210 2.453 -12.197 -0.268 1.00 1.00 C ATOM 0 H THR A 210 4.501 -9.348 1.706 1.00 1.00 H new ATOM 0 HA THR A 210 1.791 -9.671 0.414 1.00 1.00 H new ATOM 0 HB THR A 210 4.122 -11.600 0.950 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.503 -9.685 -0.514 1.00 1.00 H new ATOM 0 HG21 THR A 210 3.020 -12.962 -0.799 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.915 -12.655 0.562 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.740 -11.734 -0.950 1.00 1.00 H new ATOM 166 N ALA A 211 2.148 -9.975 3.392 1.00 1.00 N ATOM 167 CA ALA A 211 1.569 -10.491 4.666 1.00 1.00 C ATOM 168 C ALA A 211 0.681 -9.424 5.317 1.00 1.00 C ATOM 169 O ALA A 211 0.503 -9.400 6.519 1.00 1.00 O ATOM 170 CB ALA A 211 2.774 -10.802 5.556 1.00 1.00 C ATOM 0 H ALA A 211 2.649 -9.090 3.470 1.00 1.00 H new ATOM 0 HA ALA A 211 0.944 -11.370 4.507 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.428 -11.188 6.515 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.402 -11.548 5.070 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.351 -9.892 5.718 1.00 1.00 H new ATOM 176 N THR A 212 0.123 -8.545 4.532 1.00 1.00 N ATOM 177 CA THR A 212 -0.753 -7.480 5.102 1.00 1.00 C ATOM 178 C THR A 212 -2.069 -8.085 5.603 1.00 1.00 C ATOM 179 O THR A 212 -2.507 -9.107 5.113 1.00 1.00 O ATOM 180 CB THR A 212 -1.010 -6.521 3.937 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.689 -5.366 4.410 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.863 -7.219 2.878 1.00 1.00 C ATOM 0 H THR A 212 0.235 -8.517 3.519 1.00 1.00 H new ATOM 0 HA THR A 212 -0.295 -6.977 5.954 1.00 1.00 H new ATOM 0 HB THR A 212 -0.058 -6.225 3.497 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.371 -5.098 3.759 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.045 -6.535 2.049 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.338 -8.101 2.512 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.815 -7.519 3.317 1.00 1.00 H new ATOM 190 N PRO A 213 -2.658 -7.429 6.569 1.00 1.00 N ATOM 191 CA PRO A 213 -3.941 -7.909 7.145 1.00 1.00 C ATOM 192 C PRO A 213 -5.088 -7.689 6.153 1.00 1.00 C ATOM 193 O PRO A 213 -5.820 -8.602 5.825 1.00 1.00 O ATOM 194 CB PRO A 213 -4.119 -7.045 8.391 1.00 1.00 C ATOM 195 CG PRO A 213 -3.331 -5.804 8.117 1.00 1.00 C ATOM 196 CD PRO A 213 -2.193 -6.194 7.209 1.00 1.00 C ATOM 0 HA PRO A 213 -3.939 -8.975 7.371 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.170 -6.815 8.565 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.753 -7.556 9.281 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.957 -5.046 7.646 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.954 -5.374 9.045 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.985 -5.417 6.473 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.273 -6.357 7.770 1.00 1.00 H new ATOM 204 N LEU A 214 -5.247 -6.487 5.671 1.00 1.00 N ATOM 205 CA LEU A 214 -6.343 -6.209 4.696 1.00 1.00 C ATOM 206 C LEU A 214 -5.829 -5.290 3.584 1.00 1.00 C ATOM 207 O LEU A 214 -5.517 -4.139 3.811 1.00 1.00 O ATOM 208 CB LEU A 214 -7.438 -5.519 5.510 1.00 1.00 C ATOM 209 CG LEU A 214 -8.787 -5.703 4.813 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.496 -6.932 5.387 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.652 -4.462 5.042 1.00 1.00 C ATOM 0 H LEU A 214 -4.665 -5.684 5.910 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.713 -7.115 4.215 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.476 -5.938 6.516 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.213 -4.458 5.615 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.627 -5.843 3.744 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.457 -7.063 4.890 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.880 -7.816 5.224 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.656 -6.793 6.456 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.614 -4.592 4.546 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.812 -4.322 6.111 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -9.148 -3.587 4.633 1.00 1.00 H new ATOM 223 N TRP A 215 -5.731 -5.798 2.389 1.00 1.00 N ATOM 224 CA TRP A 215 -5.227 -4.968 1.260 1.00 1.00 C ATOM 225 C TRP A 215 -6.146 -3.768 1.009 1.00 1.00 C ATOM 226 O TRP A 215 -5.835 -2.652 1.375 1.00 1.00 O ATOM 227 CB TRP A 215 -5.228 -5.907 0.057 1.00 1.00 C ATOM 228 CG TRP A 215 -4.194 -6.968 0.259 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.403 -8.148 0.885 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.795 -6.960 -0.148 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.222 -8.868 0.883 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.202 -8.178 0.258 1.00 1.00 C ATOM 233 CE3 TRP A 215 -1.994 -6.024 -0.826 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -0.861 -8.458 0.000 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.643 -6.301 -1.086 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.077 -7.516 -0.674 1.00 1.00 C ATOM 0 H TRP A 215 -5.979 -6.756 2.144 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.238 -4.558 1.464 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.212 -6.360 -0.065 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.019 -5.348 -0.855 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.338 -8.475 1.316 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.117 -9.796 1.293 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.421 -5.086 -1.149 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.430 -9.396 0.318 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.036 -5.575 -1.606 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.963 -7.724 -0.877 1.00 1.00 H new ATOM 247 N ARG A 216 -7.268 -3.983 0.377 1.00 1.00 N ATOM 248 CA ARG A 216 -8.192 -2.845 0.097 1.00 1.00 C ATOM 249 C ARG A 216 -7.541 -1.889 -0.905 1.00 1.00 C ATOM 250 O ARG A 216 -6.423 -1.454 -0.722 1.00 1.00 O ATOM 251 CB ARG A 216 -8.396 -2.152 1.445 1.00 1.00 C ATOM 252 CG ARG A 216 -9.861 -1.733 1.591 1.00 1.00 C ATOM 253 CD ARG A 216 -10.266 -0.857 0.404 1.00 1.00 C ATOM 254 NE ARG A 216 -11.171 0.176 0.981 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.995 0.829 0.207 1.00 1.00 C ATOM 256 NH1 ARG A 216 -13.185 0.350 -0.027 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.628 1.960 -0.331 1.00 1.00 N ATOM 0 H ARG A 216 -7.585 -4.893 0.043 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.138 -3.173 -0.333 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -8.117 -2.824 2.257 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.748 -1.278 1.518 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -10.499 -2.616 1.639 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.002 -1.187 2.524 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.395 -0.401 -0.066 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.773 -1.442 -0.364 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.147 0.373 1.981 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.471 -0.534 0.394 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.830 0.859 -0.631 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.697 2.334 -0.147 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.272 2.470 -0.936 1.00 1.00 H new ATOM 271 N ARG A 217 -8.228 -1.560 -1.964 1.00 1.00 N ATOM 272 CA ARG A 217 -7.637 -0.638 -2.972 1.00 1.00 C ATOM 273 C ARG A 217 -7.962 0.815 -2.622 1.00 1.00 C ATOM 274 O ARG A 217 -8.775 1.093 -1.762 1.00 1.00 O ATOM 275 CB ARG A 217 -8.293 -1.027 -4.295 1.00 1.00 C ATOM 276 CG ARG A 217 -8.100 -2.524 -4.542 1.00 1.00 C ATOM 277 CD ARG A 217 -8.265 -2.822 -6.034 1.00 1.00 C ATOM 278 NE ARG A 217 -9.557 -2.186 -6.412 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.664 -2.877 -6.364 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.059 -3.551 -7.409 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.374 -2.894 -5.268 1.00 1.00 N ATOM 0 H ARG A 217 -9.170 -1.889 -2.174 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.551 -0.717 -3.014 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.356 -0.786 -4.270 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.855 -0.454 -5.112 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.111 -2.834 -4.206 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.826 -3.095 -3.964 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -7.438 -2.410 -6.613 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.283 -3.895 -6.223 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.577 -1.210 -6.709 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.503 -3.538 -8.264 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.924 -4.091 -7.371 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.064 -2.368 -4.451 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.239 -3.433 -5.229 1.00 1.00 H new ATOM 295 N ASP A 218 -7.325 1.742 -3.281 1.00 1.00 N ATOM 296 CA ASP A 218 -7.577 3.176 -2.997 1.00 1.00 C ATOM 297 C ASP A 218 -7.912 3.913 -4.300 1.00 1.00 C ATOM 298 O ASP A 218 -8.513 3.358 -5.197 1.00 1.00 O ATOM 299 CB ASP A 218 -6.260 3.670 -2.406 1.00 1.00 C ATOM 300 CG ASP A 218 -5.109 3.297 -3.341 1.00 1.00 C ATOM 301 OD1 ASP A 218 -5.383 2.955 -4.479 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.972 3.359 -2.901 1.00 1.00 O ATOM 0 H ASP A 218 -6.635 1.563 -4.010 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.417 3.344 -2.323 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -6.294 4.751 -2.267 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -6.102 3.227 -1.423 1.00 1.00 H new ATOM 307 N ARG A 219 -7.528 5.156 -4.415 1.00 1.00 N ATOM 308 CA ARG A 219 -7.826 5.914 -5.664 1.00 1.00 C ATOM 309 C ARG A 219 -6.814 5.551 -6.745 1.00 1.00 C ATOM 310 O ARG A 219 -7.017 5.806 -7.916 1.00 1.00 O ATOM 311 CB ARG A 219 -7.686 7.401 -5.307 1.00 1.00 C ATOM 312 CG ARG A 219 -8.100 7.637 -3.856 1.00 1.00 C ATOM 313 CD ARG A 219 -8.730 9.025 -3.721 1.00 1.00 C ATOM 314 NE ARG A 219 -7.662 9.973 -4.140 1.00 1.00 N ATOM 315 CZ ARG A 219 -7.794 11.250 -3.908 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.944 11.833 -4.105 1.00 1.00 N ATOM 317 NH2 ARG A 219 -6.774 11.943 -3.479 1.00 1.00 N ATOM 0 H ARG A 219 -7.022 5.678 -3.700 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.822 5.682 -6.041 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.655 7.722 -5.455 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -8.306 8.002 -5.972 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.810 6.872 -3.541 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.232 7.555 -3.202 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.613 9.121 -4.352 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.048 9.216 -2.696 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.826 9.624 -4.609 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.740 11.290 -4.440 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.047 12.831 -3.924 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -5.875 11.486 -3.326 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -6.876 12.941 -3.297 1.00 1.00 H new ATOM 331 N THR A 220 -5.714 4.967 -6.362 1.00 1.00 N ATOM 332 CA THR A 220 -4.684 4.604 -7.368 1.00 1.00 C ATOM 333 C THR A 220 -4.939 3.196 -7.911 1.00 1.00 C ATOM 334 O THR A 220 -4.281 2.743 -8.828 1.00 1.00 O ATOM 335 CB THR A 220 -3.355 4.660 -6.614 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.417 3.805 -5.482 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.086 6.095 -6.159 1.00 1.00 C ATOM 0 H THR A 220 -5.486 4.727 -5.397 1.00 1.00 H new ATOM 0 HA THR A 220 -4.693 5.276 -8.226 1.00 1.00 H new ATOM 0 HB THR A 220 -2.550 4.333 -7.271 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.245 3.281 -5.512 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.139 6.135 -5.621 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.037 6.750 -7.029 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.890 6.425 -5.501 1.00 1.00 H new ATOM 345 N GLY A 221 -5.895 2.501 -7.357 1.00 1.00 N ATOM 346 CA GLY A 221 -6.200 1.129 -7.845 1.00 1.00 C ATOM 347 C GLY A 221 -5.031 0.190 -7.536 1.00 1.00 C ATOM 348 O GLY A 221 -4.805 -0.781 -8.232 1.00 1.00 O ATOM 0 H GLY A 221 -6.478 2.826 -6.586 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.109 0.759 -7.371 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.387 1.149 -8.919 1.00 1.00 H new ATOM 352 N HIS A 222 -4.291 0.462 -6.496 1.00 1.00 N ATOM 353 CA HIS A 222 -3.146 -0.428 -6.150 1.00 1.00 C ATOM 354 C HIS A 222 -3.492 -1.271 -4.919 1.00 1.00 C ATOM 355 O HIS A 222 -4.592 -1.214 -4.407 1.00 1.00 O ATOM 356 CB HIS A 222 -1.978 0.512 -5.853 1.00 1.00 C ATOM 357 CG HIS A 222 -1.428 1.044 -7.147 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.151 2.389 -7.335 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.102 0.425 -8.327 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.680 2.534 -8.588 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.630 1.367 -9.237 1.00 1.00 N ATOM 0 H HIS A 222 -4.428 1.258 -5.873 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.905 -1.123 -6.954 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.310 1.335 -5.220 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.200 -0.018 -5.304 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.197 -0.633 -8.521 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.379 3.479 -9.016 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.314 1.202 -10.193 1.00 1.00 H new ATOM 369 N TYR A 223 -2.565 -2.058 -4.445 1.00 1.00 N ATOM 370 CA TYR A 223 -2.850 -2.907 -3.255 1.00 1.00 C ATOM 371 C TYR A 223 -1.785 -2.695 -2.176 1.00 1.00 C ATOM 372 O TYR A 223 -1.070 -3.608 -1.810 1.00 1.00 O ATOM 373 CB TYR A 223 -2.793 -4.340 -3.781 1.00 1.00 C ATOM 374 CG TYR A 223 -4.161 -4.760 -4.260 1.00 1.00 C ATOM 375 CD1 TYR A 223 -4.693 -4.207 -5.432 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.898 -5.703 -3.535 1.00 1.00 C ATOM 377 CE1 TYR A 223 -5.960 -4.598 -5.878 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.166 -6.095 -3.981 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.697 -5.542 -5.152 1.00 1.00 C ATOM 380 OH TYR A 223 -7.947 -5.929 -5.592 1.00 1.00 O ATOM 0 H TYR A 223 -1.625 -2.149 -4.830 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.811 -2.668 -2.799 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.074 -4.410 -4.597 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.450 -5.013 -2.995 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.125 -3.479 -5.991 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.489 -6.129 -2.631 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.370 -4.172 -6.782 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.734 -6.824 -3.422 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.321 -6.591 -4.974 1.00 1.00 H new ATOM 390 N LEU A 224 -1.670 -1.502 -1.659 1.00 1.00 N ATOM 391 CA LEU A 224 -0.648 -1.253 -0.605 1.00 1.00 C ATOM 392 C LEU A 224 -0.850 -2.231 0.558 1.00 1.00 C ATOM 393 O LEU A 224 -1.822 -2.958 0.605 1.00 1.00 O ATOM 394 CB LEU A 224 -0.877 0.188 -0.146 1.00 1.00 C ATOM 395 CG LEU A 224 0.339 1.038 -0.519 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.425 1.168 -2.039 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.197 2.429 0.102 1.00 1.00 C ATOM 0 H LEU A 224 -2.236 -0.694 -1.919 1.00 1.00 H new ATOM 0 HA LEU A 224 0.368 -1.397 -0.973 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.775 0.592 -0.614 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.038 0.217 0.932 1.00 1.00 H new ATOM 0 HG LEU A 224 1.244 0.561 -0.143 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.292 1.774 -2.304 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.525 0.178 -2.484 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.480 1.645 -2.415 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.063 3.036 -0.163 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.709 2.905 -0.274 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.135 2.339 1.187 1.00 1.00 H new ATOM 409 N CYS A 225 0.061 -2.259 1.491 1.00 1.00 N ATOM 410 CA CYS A 225 -0.083 -3.197 2.642 1.00 1.00 C ATOM 411 C CYS A 225 -0.534 -2.439 3.895 1.00 1.00 C ATOM 412 O CYS A 225 -0.101 -2.723 4.993 1.00 1.00 O ATOM 413 CB CYS A 225 1.310 -3.794 2.844 1.00 1.00 C ATOM 414 SG CYS A 225 2.438 -2.513 3.446 1.00 1.00 S ATOM 0 H CYS A 225 0.897 -1.675 1.507 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.832 -3.967 2.455 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.264 -4.617 3.557 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.680 -4.206 1.905 1.00 1.00 H new ATOM 419 N ASN A 226 -1.410 -1.481 3.737 1.00 1.00 N ATOM 420 CA ASN A 226 -1.903 -0.703 4.913 1.00 1.00 C ATOM 421 C ASN A 226 -0.802 0.205 5.474 1.00 1.00 C ATOM 422 O ASN A 226 -0.985 1.396 5.623 1.00 1.00 O ATOM 423 CB ASN A 226 -2.310 -1.753 5.951 1.00 1.00 C ATOM 424 CG ASN A 226 -3.285 -1.133 6.954 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.627 0.027 6.848 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.750 -1.865 7.929 1.00 1.00 N ATOM 0 H ASN A 226 -1.807 -1.203 2.840 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.733 -0.051 4.641 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.775 -2.606 5.457 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.427 -2.127 6.470 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.401 -1.463 8.603 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.462 -2.840 8.017 1.00 1.00 H new ATOM 433 N ALA A 227 0.333 -0.350 5.801 1.00 1.00 N ATOM 434 CA ALA A 227 1.435 0.481 6.369 1.00 1.00 C ATOM 435 C ALA A 227 1.930 1.511 5.350 1.00 1.00 C ATOM 436 O ALA A 227 2.201 2.648 5.685 1.00 1.00 O ATOM 437 CB ALA A 227 2.547 -0.514 6.701 1.00 1.00 C ATOM 0 H ALA A 227 0.546 -1.342 5.700 1.00 1.00 H new ATOM 0 HA ALA A 227 1.106 1.044 7.242 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.398 0.019 7.125 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.179 -1.243 7.423 1.00 1.00 H new ATOM 0 HB3 ALA A 227 2.858 -1.029 5.792 1.00 1.00 H new ATOM 443 N CYS A 228 2.062 1.122 4.115 1.00 1.00 N ATOM 444 CA CYS A 228 2.553 2.078 3.079 1.00 1.00 C ATOM 445 C CYS A 228 1.544 3.208 2.859 1.00 1.00 C ATOM 446 O CYS A 228 1.909 4.325 2.551 1.00 1.00 O ATOM 447 CB CYS A 228 2.704 1.243 1.815 1.00 1.00 C ATOM 448 SG CYS A 228 4.276 0.344 1.869 1.00 1.00 S ATOM 0 H CYS A 228 1.852 0.184 3.775 1.00 1.00 H new ATOM 0 HA CYS A 228 3.489 2.553 3.374 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.874 0.541 1.729 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.671 1.886 0.935 1.00 1.00 H new ATOM 453 N GLY A 229 0.280 2.927 3.006 1.00 1.00 N ATOM 454 CA GLY A 229 -0.747 3.988 2.798 1.00 1.00 C ATOM 455 C GLY A 229 -0.820 4.888 4.032 1.00 1.00 C ATOM 456 O GLY A 229 -1.191 6.042 3.946 1.00 1.00 O ATOM 0 H GLY A 229 -0.087 2.010 3.261 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.497 4.581 1.918 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.720 3.533 2.610 1.00 1.00 H new ATOM 460 N LEU A 230 -0.470 4.374 5.180 1.00 1.00 N ATOM 461 CA LEU A 230 -0.521 5.210 6.416 1.00 1.00 C ATOM 462 C LEU A 230 0.036 6.606 6.131 1.00 1.00 C ATOM 463 O LEU A 230 -0.473 7.598 6.612 1.00 1.00 O ATOM 464 CB LEU A 230 0.358 4.481 7.427 1.00 1.00 C ATOM 465 CG LEU A 230 -0.404 4.319 8.744 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.450 3.527 9.735 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.707 5.702 9.329 1.00 1.00 C ATOM 0 H LEU A 230 -0.152 3.415 5.316 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.539 5.341 6.783 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.644 3.504 7.038 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.279 5.040 7.594 1.00 1.00 H new ATOM 0 HG LEU A 230 -1.337 3.786 8.560 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -0.093 3.412 10.673 1.00 1.00 H new ATOM 0 HD12 LEU A 230 0.670 2.543 9.320 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.383 4.060 9.919 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -1.250 5.589 10.267 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.228 6.232 9.512 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.315 6.270 8.624 1.00 1.00 H new ATOM 479 N TYR A 231 1.079 6.688 5.352 1.00 1.00 N ATOM 480 CA TYR A 231 1.670 8.019 5.034 1.00 1.00 C ATOM 481 C TYR A 231 0.662 8.875 4.264 1.00 1.00 C ATOM 482 O TYR A 231 0.411 10.014 4.604 1.00 1.00 O ATOM 483 CB TYR A 231 2.891 7.714 4.167 1.00 1.00 C ATOM 484 CG TYR A 231 3.924 8.802 4.345 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.757 10.039 3.711 1.00 1.00 C ATOM 486 CD2 TYR A 231 5.050 8.573 5.145 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.714 11.047 3.877 1.00 1.00 C ATOM 488 CE2 TYR A 231 6.009 9.580 5.310 1.00 1.00 C ATOM 489 CZ TYR A 231 5.840 10.818 4.677 1.00 1.00 C ATOM 490 OH TYR A 231 6.784 11.811 4.840 1.00 1.00 O ATOM 0 H TYR A 231 1.548 5.891 4.922 1.00 1.00 H new ATOM 0 HA TYR A 231 1.938 8.577 5.931 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.314 6.748 4.444 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.598 7.645 3.119 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.889 10.216 3.093 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.179 7.619 5.635 1.00 1.00 H new ATOM 0 HE1 TYR A 231 4.584 12.001 3.388 1.00 1.00 H new ATOM 0 HE2 TYR A 231 6.879 9.402 5.925 1.00 1.00 H new ATOM 0 HH TYR A 231 7.500 11.488 5.426 1.00 1.00 H new ATOM 500 N HIS A 232 0.080 8.337 3.226 1.00 1.00 N ATOM 501 CA HIS A 232 -0.907 9.123 2.435 1.00 1.00 C ATOM 502 C HIS A 232 -2.173 9.377 3.260 1.00 1.00 C ATOM 503 O HIS A 232 -2.978 10.227 2.930 1.00 1.00 O ATOM 504 CB HIS A 232 -1.227 8.256 1.217 1.00 1.00 C ATOM 505 CG HIS A 232 -1.832 9.115 0.140 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.267 9.956 -0.787 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.199 9.175 -0.078 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.265 10.530 -1.569 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.410 10.028 -1.100 1.00 1.00 N flip ATOM 0 H HIS A 232 0.246 7.387 2.893 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.515 10.099 2.148 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.320 7.777 0.849 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.918 7.460 1.494 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -3.957 8.636 0.471 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.140 11.231 -2.381 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -4.331 10.261 -1.470 1.00 1.00 H new ATOM 517 N LYS A 233 -2.358 8.648 4.325 1.00 1.00 N ATOM 518 CA LYS A 233 -3.575 8.850 5.164 1.00 1.00 C ATOM 519 C LYS A 233 -3.403 10.078 6.063 1.00 1.00 C ATOM 520 O LYS A 233 -4.285 10.904 6.177 1.00 1.00 O ATOM 521 CB LYS A 233 -3.687 7.581 6.010 1.00 1.00 C ATOM 522 CG LYS A 233 -3.953 6.380 5.100 1.00 1.00 C ATOM 523 CD LYS A 233 -5.462 6.213 4.901 1.00 1.00 C ATOM 524 CE LYS A 233 -6.032 5.350 6.028 1.00 1.00 C ATOM 525 NZ LYS A 233 -7.510 5.409 5.849 1.00 1.00 N ATOM 0 H LYS A 233 -1.721 7.922 4.652 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.467 9.021 4.561 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.768 7.426 6.575 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.493 7.686 6.736 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.462 6.524 4.137 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.531 5.476 5.540 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.949 7.188 4.893 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.663 5.749 3.936 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.667 4.325 5.963 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.737 5.732 7.005 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.972 4.840 6.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.829 6.396 5.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.762 5.032 4.913 1.00 1.00 H new ATOM 539 N MET A 234 -2.272 10.201 6.703 1.00 1.00 N ATOM 540 CA MET A 234 -2.046 11.375 7.597 1.00 1.00 C ATOM 541 C MET A 234 -1.312 12.483 6.843 1.00 1.00 C ATOM 542 O MET A 234 -1.783 13.598 6.740 1.00 1.00 O ATOM 543 CB MET A 234 -1.182 10.840 8.739 1.00 1.00 C ATOM 544 CG MET A 234 -2.082 10.246 9.823 1.00 1.00 C ATOM 545 SD MET A 234 -1.978 11.262 11.317 1.00 1.00 S ATOM 546 CE MET A 234 -2.437 9.972 12.499 1.00 1.00 C ATOM 0 H MET A 234 -1.496 9.542 6.647 1.00 1.00 H new ATOM 0 HA MET A 234 -2.980 11.805 7.958 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.495 10.081 8.365 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.573 11.643 9.156 1.00 1.00 H new ATOM 0 HG2 MET A 234 -3.113 10.202 9.471 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.777 9.223 10.044 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.437 10.386 13.507 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.432 9.597 12.260 1.00 1.00 H new ATOM 0 HE3 MET A 234 -1.718 9.154 12.442 1.00 1.00 H new ATOM 556 N ASN A 235 -0.160 12.183 6.317 1.00 1.00 N ATOM 557 CA ASN A 235 0.612 13.217 5.570 1.00 1.00 C ATOM 558 C ASN A 235 -0.057 13.510 4.226 1.00 1.00 C ATOM 559 O ASN A 235 -0.045 14.627 3.745 1.00 1.00 O ATOM 560 CB ASN A 235 1.994 12.598 5.357 1.00 1.00 C ATOM 561 CG ASN A 235 2.818 12.736 6.639 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.275 12.759 7.725 1.00 1.00 O ATOM 563 ND2 ASN A 235 4.119 12.829 6.558 1.00 1.00 N ATOM 0 H ASN A 235 0.283 11.266 6.371 1.00 1.00 H new ATOM 0 HA ASN A 235 0.666 14.163 6.109 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.896 11.547 5.087 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.503 13.093 4.530 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.678 12.921 7.407 1.00 1.00 H new ATOM 0 HD22 ASN A 235 4.576 12.810 5.646 1.00 1.00 H new ATOM 570 N GLY A 236 -0.640 12.517 3.618 1.00 1.00 N ATOM 571 CA GLY A 236 -1.310 12.733 2.310 1.00 1.00 C ATOM 572 C GLY A 236 -0.294 12.575 1.176 1.00 1.00 C ATOM 573 O GLY A 236 -0.650 12.328 0.041 1.00 1.00 O ATOM 0 H GLY A 236 -0.681 11.562 3.973 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.123 12.018 2.185 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -1.753 13.728 2.278 1.00 1.00 H new ATOM 577 N GLN A 237 0.970 12.714 1.471 1.00 1.00 N ATOM 578 CA GLN A 237 2.004 12.569 0.406 1.00 1.00 C ATOM 579 C GLN A 237 2.275 11.088 0.137 1.00 1.00 C ATOM 580 O GLN A 237 1.759 10.219 0.811 1.00 1.00 O ATOM 581 CB GLN A 237 3.253 13.247 0.971 1.00 1.00 C ATOM 582 CG GLN A 237 2.935 14.701 1.323 1.00 1.00 C ATOM 583 CD GLN A 237 3.630 15.073 2.634 1.00 1.00 C ATOM 584 OE1 GLN A 237 2.982 15.437 3.596 1.00 1.00 O ATOM 585 NE2 GLN A 237 4.930 14.996 2.715 1.00 1.00 N ATOM 0 H GLN A 237 1.331 12.921 2.402 1.00 1.00 H new ATOM 0 HA GLN A 237 1.691 13.014 -0.539 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.598 12.715 1.858 1.00 1.00 H new ATOM 0 HB3 GLN A 237 4.062 13.208 0.241 1.00 1.00 H new ATOM 0 HG2 GLN A 237 3.268 15.361 0.522 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.858 14.836 1.419 1.00 1.00 H new ATOM 0 HE21 GLN A 237 5.474 14.691 1.908 1.00 1.00 H new ATOM 0 HE22 GLN A 237 5.402 15.241 3.585 1.00 1.00 H new ATOM 594 N ASN A 238 3.084 10.793 -0.843 1.00 1.00 N ATOM 595 CA ASN A 238 3.388 9.369 -1.152 1.00 1.00 C ATOM 596 C ASN A 238 4.329 8.790 -0.092 1.00 1.00 C ATOM 597 O ASN A 238 4.502 9.352 0.971 1.00 1.00 O ATOM 598 CB ASN A 238 4.076 9.400 -2.517 1.00 1.00 C ATOM 599 CG ASN A 238 3.161 10.077 -3.537 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.967 9.846 -3.550 1.00 1.00 O ATOM 601 ND2 ASN A 238 3.672 10.914 -4.399 1.00 1.00 N ATOM 0 H ASN A 238 3.547 11.476 -1.442 1.00 1.00 H new ATOM 0 HA ASN A 238 2.493 8.746 -1.159 1.00 1.00 H new ATOM 0 HB2 ASN A 238 5.021 9.939 -2.447 1.00 1.00 H new ATOM 0 HB3 ASN A 238 4.310 8.386 -2.840 1.00 1.00 H new ATOM 0 HD21 ASN A 238 3.070 11.373 -5.082 1.00 1.00 H new ATOM 0 HD22 ASN A 238 4.673 11.109 -4.389 1.00 1.00 H new ATOM 608 N ARG A 239 4.936 7.673 -0.374 1.00 1.00 N ATOM 609 CA ARG A 239 5.867 7.061 0.616 1.00 1.00 C ATOM 610 C ARG A 239 7.309 7.174 0.120 1.00 1.00 C ATOM 611 O ARG A 239 7.548 7.353 -1.057 1.00 1.00 O ATOM 612 CB ARG A 239 5.441 5.595 0.698 1.00 1.00 C ATOM 613 CG ARG A 239 4.281 5.456 1.685 1.00 1.00 C ATOM 614 CD ARG A 239 4.830 5.131 3.076 1.00 1.00 C ATOM 615 NE ARG A 239 5.500 3.810 2.924 1.00 1.00 N ATOM 616 CZ ARG A 239 6.233 3.337 3.894 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.675 2.660 4.860 1.00 1.00 N ATOM 618 NH2 ARG A 239 7.522 3.539 3.897 1.00 1.00 N ATOM 0 H ARG A 239 4.829 7.156 -1.247 1.00 1.00 H new ATOM 0 HA ARG A 239 5.826 7.554 1.587 1.00 1.00 H new ATOM 0 HB2 ARG A 239 5.140 5.237 -0.287 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.281 4.978 1.018 1.00 1.00 H new ATOM 0 HG2 ARG A 239 3.704 6.380 1.717 1.00 1.00 H new ATOM 0 HG3 ARG A 239 3.603 4.668 1.357 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.532 5.894 3.412 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.031 5.086 3.816 1.00 1.00 H new ATOM 0 HE ARG A 239 5.386 3.276 2.063 1.00 1.00 H new ATOM 0 HH11 ARG A 239 4.667 2.501 4.856 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.246 2.289 5.619 1.00 1.00 H new ATOM 0 HH21 ARG A 239 7.957 4.067 3.141 1.00 1.00 H new ATOM 0 HH22 ARG A 239 8.094 3.169 4.656 1.00 1.00 H new ATOM 632 N PRO A 240 8.226 7.062 1.041 1.00 1.00 N ATOM 633 CA PRO A 240 9.665 7.149 0.695 1.00 1.00 C ATOM 634 C PRO A 240 10.102 5.896 -0.071 1.00 1.00 C ATOM 635 O PRO A 240 10.102 5.870 -1.287 1.00 1.00 O ATOM 636 CB PRO A 240 10.356 7.241 2.054 1.00 1.00 C ATOM 637 CG PRO A 240 9.400 6.615 3.020 1.00 1.00 C ATOM 638 CD PRO A 240 8.014 6.845 2.477 1.00 1.00 C ATOM 0 HA PRO A 240 9.906 7.994 0.050 1.00 1.00 H new ATOM 0 HB2 PRO A 240 11.311 6.715 2.047 1.00 1.00 H new ATOM 0 HB3 PRO A 240 10.565 8.277 2.321 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.601 5.549 3.126 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.505 7.059 4.010 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.367 5.987 2.660 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.540 7.708 2.945 1.00 1.00 H new ATOM 646 N LEU A 241 10.473 4.859 0.627 1.00 1.00 N ATOM 647 CA LEU A 241 10.907 3.613 -0.067 1.00 1.00 C ATOM 648 C LEU A 241 12.056 3.924 -1.029 1.00 1.00 C ATOM 649 O LEU A 241 12.347 5.068 -1.313 1.00 1.00 O ATOM 650 CB LEU A 241 9.676 3.133 -0.840 1.00 1.00 C ATOM 651 CG LEU A 241 8.459 3.092 0.090 1.00 1.00 C ATOM 652 CD1 LEU A 241 7.209 3.513 -0.685 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.272 1.668 0.617 1.00 1.00 C ATOM 0 H LEU A 241 10.495 4.820 1.646 1.00 1.00 H new ATOM 0 HA LEU A 241 11.267 2.856 0.630 1.00 1.00 H new ATOM 0 HB2 LEU A 241 9.480 3.800 -1.680 1.00 1.00 H new ATOM 0 HB3 LEU A 241 9.860 2.142 -1.256 1.00 1.00 H new ATOM 0 HG LEU A 241 8.616 3.775 0.925 1.00 1.00 H new ATOM 0 HD11 LEU A 241 6.343 3.484 -0.023 1.00 1.00 H new ATOM 0 HD12 LEU A 241 7.341 4.526 -1.065 1.00 1.00 H new ATOM 0 HD13 LEU A 241 7.051 2.830 -1.519 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.407 1.636 1.279 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.114 0.988 -0.220 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.162 1.364 1.168 1.00 1.00 H new ATOM 665 N ILE A 242 12.715 2.916 -1.529 1.00 1.00 N ATOM 666 CA ILE A 242 13.843 3.155 -2.465 1.00 1.00 C ATOM 667 C ILE A 242 13.353 3.117 -3.917 1.00 1.00 C ATOM 668 O ILE A 242 12.744 2.159 -4.349 1.00 1.00 O ATOM 669 CB ILE A 242 14.830 2.019 -2.198 1.00 1.00 C ATOM 670 CG1 ILE A 242 15.090 1.909 -0.694 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.147 2.306 -2.922 1.00 1.00 C ATOM 672 CD1 ILE A 242 15.759 0.568 -0.385 1.00 1.00 C ATOM 0 H ILE A 242 12.519 1.935 -1.328 1.00 1.00 H new ATOM 0 HA ILE A 242 14.299 4.133 -2.315 1.00 1.00 H new ATOM 0 HB ILE A 242 14.410 1.082 -2.563 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.727 2.729 -0.364 1.00 1.00 H new ATOM 0 HG13 ILE A 242 14.152 1.994 -0.145 1.00 1.00 H new ATOM 0 HG21 ILE A 242 16.851 1.496 -2.732 1.00 1.00 H new ATOM 0 HG22 ILE A 242 15.964 2.383 -3.994 1.00 1.00 H new ATOM 0 HG23 ILE A 242 16.566 3.244 -2.557 1.00 1.00 H new ATOM 0 HD11 ILE A 242 15.943 0.492 0.687 1.00 1.00 H new ATOM 0 HD12 ILE A 242 15.106 -0.246 -0.700 1.00 1.00 H new ATOM 0 HD13 ILE A 242 16.705 0.501 -0.922 1.00 1.00 H new ATOM 684 N ARG A 243 13.615 4.149 -4.668 1.00 1.00 N ATOM 685 CA ARG A 243 13.166 4.171 -6.091 1.00 1.00 C ATOM 686 C ARG A 243 14.375 4.207 -7.029 1.00 1.00 C ATOM 687 O ARG A 243 15.423 3.725 -6.633 1.00 1.00 O ATOM 688 CB ARG A 243 12.346 5.449 -6.231 1.00 1.00 C ATOM 689 CG ARG A 243 10.984 5.118 -6.844 1.00 1.00 C ATOM 690 CD ARG A 243 10.138 6.391 -6.929 1.00 1.00 C ATOM 691 NE ARG A 243 10.688 7.142 -8.091 1.00 1.00 N ATOM 692 CZ ARG A 243 10.577 8.442 -8.139 1.00 1.00 C ATOM 693 NH1 ARG A 243 9.399 8.999 -8.081 1.00 1.00 N ATOM 694 NH2 ARG A 243 11.644 9.185 -8.246 1.00 1.00 N ATOM 695 OXT ARG A 243 14.232 4.717 -8.129 1.00 0.00 O ATOM 0 H ARG A 243 14.121 4.979 -4.360 1.00 1.00 H new ATOM 0 HA ARG A 243 12.587 3.285 -6.351 1.00 1.00 H new ATOM 0 HB2 ARG A 243 12.213 5.917 -5.256 1.00 1.00 H new ATOM 0 HB3 ARG A 243 12.875 6.166 -6.859 1.00 1.00 H new ATOM 0 HG2 ARG A 243 11.115 4.689 -7.837 1.00 1.00 H new ATOM 0 HG3 ARG A 243 10.473 4.369 -6.238 1.00 1.00 H new ATOM 0 HD2 ARG A 243 9.084 6.155 -7.075 1.00 1.00 H new ATOM 0 HD3 ARG A 243 10.210 6.975 -6.012 1.00 1.00 H new ATOM 0 HE ARG A 243 11.151 6.641 -8.849 1.00 1.00 H new ATOM 0 HH11 ARG A 243 8.564 8.419 -7.998 1.00 1.00 H new ATOM 0 HH12 ARG A 243 9.313 10.015 -8.119 1.00 1.00 H new ATOM 0 HH21 ARG A 243 12.566 8.750 -8.292 1.00 1.00 H new ATOM 0 HH22 ARG A 243 11.557 10.201 -8.283 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.747 -1.879 1.665 1.00 1.00 ZN