USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=9 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 88:sc= 0.827 USER MOD Set 1.2: A 235 ASN : amide:sc= -2.54! C(o=-1.7!,f=-3.7!) USER MOD Set 2.1: A 220 THR OG1 : rot -11:sc= -0.746 USER MOD Set 2.2: A 222 HIS : no HE2:sc= -5.08! C(o=-5.8!,f=-13!) USER MOD Single : A 199 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 206 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.8!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -107:sc= -1.74! USER MOD Single : A 223 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 226 ASN :FLIP amide:sc= -1.84! C(o=-2.7!,f=-1.8!) USER MOD Single : A 232 HIS :FLIP no HE2:sc= -2.04 F(o=-4.2!,f=-2) 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) USER MOD Single : A 238 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 -1.681 -18.812 -8.598 1.00 1.00 N ATOM 2 CA GLY A 198 -0.602 -18.079 -9.319 1.00 1.00 C ATOM 3 C GLY A 198 -0.156 -16.873 -8.488 1.00 1.00 C ATOM 4 O GLY A 198 0.980 -16.449 -8.554 1.00 1.00 O ATOM 0 HA2 GLY A 198 0.244 -18.742 -9.499 1.00 1.00 H new ATOM 0 HA3 GLY A 198 -0.961 -17.749 -10.294 1.00 1.00 H new ATOM 10 N SER A 199 -1.042 -16.318 -7.707 1.00 1.00 N ATOM 11 CA SER A 199 -0.669 -15.140 -6.872 1.00 1.00 C ATOM 12 C SER A 199 -1.826 -14.759 -5.945 1.00 1.00 C ATOM 13 O SER A 199 -2.258 -13.624 -5.910 1.00 1.00 O ATOM 14 CB SER A 199 -0.394 -14.017 -7.873 1.00 1.00 C ATOM 15 OG SER A 199 -1.305 -14.121 -8.957 1.00 1.00 O ATOM 0 H SER A 199 -2.009 -16.629 -7.611 1.00 1.00 H new ATOM 0 HA SER A 199 0.193 -15.342 -6.237 1.00 1.00 H new ATOM 0 HB2 SER A 199 -0.499 -13.047 -7.387 1.00 1.00 H new ATOM 0 HB3 SER A 199 0.631 -14.082 -8.237 1.00 1.00 H new ATOM 0 HG SER A 199 -1.132 -13.402 -9.600 1.00 1.00 H new ATOM 21 N GLU A 200 -2.333 -15.697 -5.192 1.00 1.00 N ATOM 22 CA GLU A 200 -3.463 -15.383 -4.270 1.00 1.00 C ATOM 23 C GLU A 200 -3.153 -14.113 -3.477 1.00 1.00 C ATOM 24 O GLU A 200 -3.766 -13.081 -3.671 1.00 1.00 O ATOM 25 CB GLU A 200 -3.567 -16.591 -3.339 1.00 1.00 C ATOM 26 CG GLU A 200 -4.997 -16.704 -2.808 1.00 1.00 C ATOM 27 CD GLU A 200 -5.037 -17.710 -1.656 1.00 1.00 C ATOM 28 OE1 GLU A 200 -4.690 -17.328 -0.550 1.00 1.00 O ATOM 29 OE2 GLU A 200 -5.414 -18.845 -1.900 1.00 1.00 O ATOM 0 H GLU A 200 -2.015 -16.666 -5.175 1.00 1.00 H new ATOM 0 HA GLU A 200 -4.397 -15.205 -4.803 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -3.293 -17.500 -3.874 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.867 -16.486 -2.510 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -5.347 -15.730 -2.466 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.668 -17.022 -3.606 1.00 1.00 H new ATOM 36 N ALA A 201 -2.204 -14.181 -2.588 1.00 1.00 N ATOM 37 CA ALA A 201 -1.848 -12.978 -1.782 1.00 1.00 C ATOM 38 C ALA A 201 -1.461 -11.824 -2.710 1.00 1.00 C ATOM 39 O ALA A 201 -0.729 -12.001 -3.664 1.00 1.00 O ATOM 40 CB ALA A 201 -0.647 -13.409 -0.939 1.00 1.00 C ATOM 0 H ALA A 201 -1.658 -15.018 -2.383 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.677 -12.631 -1.165 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -0.323 -12.576 -0.315 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -0.930 -14.249 -0.305 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.169 -13.709 -1.596 1.00 1.00 H new ATOM 46 N ARG A 202 -1.947 -10.645 -2.442 1.00 1.00 N ATOM 47 CA ARG A 202 -1.602 -9.487 -3.314 1.00 1.00 C ATOM 48 C ARG A 202 -0.175 -9.016 -3.023 1.00 1.00 C ATOM 49 O ARG A 202 0.467 -9.488 -2.105 1.00 1.00 O ATOM 50 CB ARG A 202 -2.611 -8.399 -2.949 1.00 1.00 C ATOM 51 CG ARG A 202 -3.826 -8.495 -3.872 1.00 1.00 C ATOM 52 CD ARG A 202 -4.510 -9.851 -3.684 1.00 1.00 C ATOM 53 NE ARG A 202 -5.816 -9.724 -4.388 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.919 -9.596 -3.704 1.00 1.00 C ATOM 55 NH1 ARG A 202 -7.136 -8.513 -3.009 1.00 1.00 N ATOM 56 NH2 ARG A 202 -7.807 -10.552 -3.716 1.00 1.00 N ATOM 0 H ARG A 202 -2.566 -10.433 -1.660 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.644 -9.740 -4.373 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.921 -8.511 -1.910 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.149 -7.416 -3.040 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.527 -7.690 -3.652 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.517 -8.374 -4.910 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.911 -10.657 -4.106 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.651 -10.079 -2.627 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.848 -9.737 -5.407 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.442 -7.765 -3.000 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.999 -8.414 -2.475 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -7.638 -11.398 -4.260 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -8.670 -10.453 -3.181 1.00 1.00 H new ATOM 70 N GLU A 203 0.322 -8.090 -3.793 1.00 1.00 N ATOM 71 CA GLU A 203 1.706 -7.587 -3.556 1.00 1.00 C ATOM 72 C GLU A 203 1.674 -6.072 -3.338 1.00 1.00 C ATOM 73 O GLU A 203 1.344 -5.314 -4.228 1.00 1.00 O ATOM 74 CB GLU A 203 2.481 -7.933 -4.829 1.00 1.00 C ATOM 75 CG GLU A 203 3.312 -9.196 -4.591 1.00 1.00 C ATOM 76 CD GLU A 203 3.449 -9.974 -5.901 1.00 1.00 C ATOM 77 OE1 GLU A 203 2.983 -9.478 -6.914 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.019 -11.052 -5.870 1.00 1.00 O ATOM 0 H GLU A 203 -0.169 -7.659 -4.576 1.00 1.00 H new ATOM 0 HA GLU A 203 2.166 -8.030 -2.673 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.790 -8.090 -5.657 1.00 1.00 H new ATOM 0 HB3 GLU A 203 3.131 -7.104 -5.109 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.298 -8.929 -4.210 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.836 -9.819 -3.834 1.00 1.00 H new ATOM 85 N CYS A 204 2.003 -5.624 -2.158 1.00 1.00 N ATOM 86 CA CYS A 204 1.981 -4.164 -1.882 1.00 1.00 C ATOM 87 C CYS A 204 2.743 -3.400 -2.963 1.00 1.00 C ATOM 88 O CYS A 204 3.954 -3.467 -3.049 1.00 1.00 O ATOM 89 CB CYS A 204 2.669 -4.011 -0.531 1.00 1.00 C ATOM 90 SG CYS A 204 2.403 -2.336 0.088 1.00 1.00 S ATOM 0 H CYS A 204 2.287 -6.209 -1.372 1.00 1.00 H new ATOM 0 HA CYS A 204 0.967 -3.763 -1.875 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.273 -4.740 0.176 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.736 -4.210 -0.629 1.00 1.00 H new ATOM 95 N VAL A 205 2.043 -2.666 -3.781 1.00 1.00 N ATOM 96 CA VAL A 205 2.723 -1.886 -4.848 1.00 1.00 C ATOM 97 C VAL A 205 3.872 -1.065 -4.252 1.00 1.00 C ATOM 98 O VAL A 205 4.766 -0.632 -4.950 1.00 1.00 O ATOM 99 CB VAL A 205 1.640 -0.964 -5.410 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.647 -1.785 -6.235 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.900 -0.285 -4.255 1.00 1.00 C ATOM 0 H VAL A 205 1.028 -2.573 -3.756 1.00 1.00 H new ATOM 0 HA VAL A 205 3.156 -2.525 -5.618 1.00 1.00 H new ATOM 0 HB VAL A 205 2.102 -0.207 -6.044 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.125 -1.127 -6.635 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.172 -2.271 -7.057 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.185 -2.542 -5.601 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.128 0.373 -4.654 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.439 -1.043 -3.622 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.605 0.300 -3.665 1.00 1.00 H new ATOM 111 N ASN A 206 3.843 -0.832 -2.965 1.00 1.00 N ATOM 112 CA ASN A 206 4.919 -0.022 -2.328 1.00 1.00 C ATOM 113 C ASN A 206 6.054 -0.903 -1.789 1.00 1.00 C ATOM 114 O ASN A 206 7.197 -0.741 -2.170 1.00 1.00 O ATOM 115 CB ASN A 206 4.225 0.718 -1.190 1.00 1.00 C ATOM 116 CG ASN A 206 3.589 1.994 -1.738 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.483 2.166 -2.936 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.159 2.903 -0.909 1.00 1.00 N ATOM 0 H ASN A 206 3.120 -1.169 -2.329 1.00 1.00 H new ATOM 0 HA ASN A 206 5.387 0.654 -3.044 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.464 0.083 -0.738 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.943 0.962 -0.407 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.734 3.759 -1.266 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.248 2.759 0.097 1.00 1.00 H new ATOM 125 N CYS A 207 5.775 -1.818 -0.894 1.00 1.00 N ATOM 126 CA CYS A 207 6.878 -2.654 -0.352 1.00 1.00 C ATOM 127 C CYS A 207 6.737 -4.122 -0.791 1.00 1.00 C ATOM 128 O CYS A 207 7.568 -4.952 -0.483 1.00 1.00 O ATOM 129 CB CYS A 207 6.793 -2.470 1.170 1.00 1.00 C ATOM 130 SG CYS A 207 5.475 -3.482 1.881 1.00 1.00 S ATOM 0 H CYS A 207 4.846 -2.017 -0.523 1.00 1.00 H new ATOM 0 HA CYS A 207 7.857 -2.355 -0.728 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.746 -2.739 1.625 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.614 -1.420 1.402 1.00 1.00 H new ATOM 135 N GLY A 208 5.714 -4.437 -1.544 1.00 1.00 N ATOM 136 CA GLY A 208 5.543 -5.837 -2.047 1.00 1.00 C ATOM 137 C GLY A 208 5.100 -6.769 -0.920 1.00 1.00 C ATOM 138 O GLY A 208 5.019 -7.969 -1.090 1.00 1.00 O ATOM 0 H GLY A 208 4.986 -3.784 -1.834 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.805 -5.852 -2.849 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.482 -6.193 -2.471 1.00 1.00 H new ATOM 142 N ALA A 209 4.806 -6.230 0.220 1.00 1.00 N ATOM 143 CA ALA A 209 4.361 -7.082 1.354 1.00 1.00 C ATOM 144 C ALA A 209 3.255 -8.029 0.886 1.00 1.00 C ATOM 145 O ALA A 209 2.205 -7.599 0.460 1.00 1.00 O ATOM 146 CB ALA A 209 3.820 -6.095 2.384 1.00 1.00 C ATOM 0 H ALA A 209 4.854 -5.231 0.421 1.00 1.00 H new ATOM 0 HA ALA A 209 5.162 -7.700 1.759 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.467 -6.640 3.260 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.612 -5.407 2.679 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.994 -5.532 1.950 1.00 1.00 H new ATOM 152 N THR A 210 3.479 -9.312 0.963 1.00 1.00 N ATOM 153 CA THR A 210 2.429 -10.275 0.515 1.00 1.00 C ATOM 154 C THR A 210 1.733 -10.894 1.727 1.00 1.00 C ATOM 155 O THR A 210 0.690 -11.507 1.611 1.00 1.00 O ATOM 156 CB THR A 210 3.181 -11.342 -0.282 1.00 1.00 C ATOM 157 OG1 THR A 210 4.082 -10.711 -1.181 1.00 1.00 O ATOM 158 CG2 THR A 210 2.181 -12.190 -1.072 1.00 1.00 C ATOM 0 H THR A 210 4.338 -9.735 1.314 1.00 1.00 H new ATOM 0 HA THR A 210 1.655 -9.796 -0.084 1.00 1.00 H new ATOM 0 HB THR A 210 3.738 -11.983 0.402 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.566 -11.393 -1.692 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.717 -12.950 -1.640 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.489 -12.673 -0.382 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.624 -11.551 -1.757 1.00 1.00 H new ATOM 166 N ALA A 211 2.295 -10.727 2.893 1.00 1.00 N ATOM 167 CA ALA A 211 1.658 -11.295 4.116 1.00 1.00 C ATOM 168 C ALA A 211 1.110 -10.159 4.983 1.00 1.00 C ATOM 169 O ALA A 211 1.637 -9.856 6.035 1.00 1.00 O ATOM 170 CB ALA A 211 2.777 -12.041 4.842 1.00 1.00 C ATOM 0 H ALA A 211 3.167 -10.222 3.052 1.00 1.00 H new ATOM 0 HA ALA A 211 0.823 -11.957 3.885 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.384 -12.488 5.755 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.171 -12.825 4.195 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.576 -11.343 5.094 1.00 1.00 H new ATOM 176 N THR A 212 0.060 -9.519 4.541 1.00 1.00 N ATOM 177 CA THR A 212 -0.522 -8.393 5.326 1.00 1.00 C ATOM 178 C THR A 212 -2.032 -8.597 5.502 1.00 1.00 C ATOM 179 O THR A 212 -2.659 -9.272 4.711 1.00 1.00 O ATOM 180 CB THR A 212 -0.229 -7.146 4.479 1.00 1.00 C ATOM 181 OG1 THR A 212 -0.311 -5.983 5.288 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.237 -7.043 3.331 1.00 1.00 C ATOM 0 H THR A 212 -0.421 -9.729 3.666 1.00 1.00 H new ATOM 0 HA THR A 212 -0.102 -8.314 6.329 1.00 1.00 H new ATOM 0 HB THR A 212 0.777 -7.229 4.067 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.130 -5.491 5.071 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.021 -6.156 2.736 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.163 -7.929 2.701 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.246 -6.971 3.738 1.00 1.00 H new ATOM 190 N PRO A 213 -2.571 -7.999 6.533 1.00 1.00 N ATOM 191 CA PRO A 213 -4.027 -8.116 6.806 1.00 1.00 C ATOM 192 C PRO A 213 -4.829 -7.412 5.704 1.00 1.00 C ATOM 193 O PRO A 213 -4.365 -7.280 4.589 1.00 1.00 O ATOM 194 CB PRO A 213 -4.192 -7.423 8.161 1.00 1.00 C ATOM 195 CG PRO A 213 -3.029 -6.495 8.257 1.00 1.00 C ATOM 196 CD PRO A 213 -1.893 -7.165 7.531 1.00 1.00 C ATOM 0 HA PRO A 213 -4.389 -9.144 6.824 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.136 -6.881 8.216 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.191 -8.145 8.978 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.263 -5.530 7.807 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.767 -6.306 9.298 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.231 -6.437 7.063 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.282 -7.764 8.207 1.00 1.00 H new ATOM 204 N LEU A 214 -6.026 -6.974 6.004 1.00 1.00 N ATOM 205 CA LEU A 214 -6.865 -6.287 4.972 1.00 1.00 C ATOM 206 C LEU A 214 -5.994 -5.444 4.032 1.00 1.00 C ATOM 207 O LEU A 214 -5.155 -4.680 4.465 1.00 1.00 O ATOM 208 CB LEU A 214 -7.814 -5.390 5.769 1.00 1.00 C ATOM 209 CG LEU A 214 -8.604 -4.500 4.808 1.00 1.00 C ATOM 210 CD1 LEU A 214 -10.104 -4.706 5.030 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.250 -3.035 5.066 1.00 1.00 C ATOM 0 H LEU A 214 -6.461 -7.063 6.922 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.399 -6.999 4.343 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -8.497 -6.000 6.361 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.248 -4.775 6.469 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.351 -4.763 3.781 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.664 -4.071 4.344 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -10.359 -5.750 4.848 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.359 -4.444 6.057 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -8.812 -2.399 4.382 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.503 -2.775 6.094 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.182 -2.885 4.906 1.00 1.00 H new ATOM 223 N TRP A 215 -6.189 -5.586 2.749 1.00 1.00 N ATOM 224 CA TRP A 215 -5.375 -4.800 1.777 1.00 1.00 C ATOM 225 C TRP A 215 -6.025 -3.440 1.517 1.00 1.00 C ATOM 226 O TRP A 215 -5.458 -2.405 1.800 1.00 1.00 O ATOM 227 CB TRP A 215 -5.373 -5.636 0.497 1.00 1.00 C ATOM 228 CG TRP A 215 -4.396 -6.760 0.629 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.644 -7.934 1.250 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.026 -6.840 0.136 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.516 -8.730 1.172 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.492 -8.100 0.495 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.203 -5.952 -0.580 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.190 -8.465 0.156 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.892 -6.316 -0.922 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.387 -7.571 -0.555 1.00 1.00 C ATOM 0 H TRP A 215 -6.877 -6.213 2.331 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.368 -4.608 2.147 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.371 -6.030 0.307 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.110 -5.011 -0.356 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.573 -8.207 1.730 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.449 -9.668 1.567 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.583 -4.983 -0.869 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.805 -9.433 0.441 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.269 -5.626 -1.471 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.623 -7.846 -0.822 1.00 1.00 H new ATOM 247 N ARG A 216 -7.213 -3.438 0.974 1.00 1.00 N ATOM 248 CA ARG A 216 -7.901 -2.147 0.688 1.00 1.00 C ATOM 249 C ARG A 216 -7.150 -1.388 -0.410 1.00 1.00 C ATOM 250 O ARG A 216 -5.951 -1.207 -0.343 1.00 1.00 O ATOM 251 CB ARG A 216 -7.858 -1.370 2.005 1.00 1.00 C ATOM 252 CG ARG A 216 -9.285 -1.087 2.476 1.00 1.00 C ATOM 253 CD ARG A 216 -10.015 -0.251 1.422 1.00 1.00 C ATOM 254 NE ARG A 216 -10.774 0.766 2.202 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.985 1.092 1.838 1.00 1.00 C ATOM 256 NH1 ARG A 216 -12.993 0.336 2.178 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.187 2.175 1.138 1.00 1.00 N ATOM 0 H ARG A 216 -7.736 -4.275 0.716 1.00 1.00 H new ATOM 0 HA ARG A 216 -8.923 -2.290 0.338 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.321 -1.943 2.761 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.316 -0.434 1.870 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.816 -2.024 2.644 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.266 -0.556 3.428 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.312 0.221 0.735 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.683 -0.868 0.821 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.349 1.206 3.018 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.835 -0.509 2.728 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.939 0.590 1.894 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.399 2.767 0.875 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.133 2.429 0.854 1.00 1.00 H new ATOM 271 N ARG A 217 -7.843 -0.953 -1.429 1.00 1.00 N ATOM 272 CA ARG A 217 -7.163 -0.219 -2.532 1.00 1.00 C ATOM 273 C ARG A 217 -7.166 1.289 -2.258 1.00 1.00 C ATOM 274 O ARG A 217 -7.756 1.759 -1.306 1.00 1.00 O ATOM 275 CB ARG A 217 -7.985 -0.537 -3.778 1.00 1.00 C ATOM 276 CG ARG A 217 -7.922 -2.039 -4.061 1.00 1.00 C ATOM 277 CD ARG A 217 -9.123 -2.450 -4.918 1.00 1.00 C ATOM 278 NE ARG A 217 -9.198 -1.422 -5.992 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.343 -1.153 -6.559 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.292 -2.048 -6.566 1.00 1.00 N ATOM 281 NH2 ARG A 217 -10.537 0.011 -7.116 1.00 1.00 N ATOM 0 H ARG A 217 -8.849 -1.075 -1.544 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.119 -0.515 -2.640 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.020 -0.227 -3.633 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.601 0.021 -4.632 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.993 -2.284 -4.577 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.923 -2.596 -3.124 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.987 -3.448 -5.335 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.040 -2.473 -4.328 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.355 -0.928 -6.285 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.139 -2.957 -6.129 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.187 -1.839 -7.009 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.794 0.710 -7.108 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -11.431 0.222 -7.559 1.00 1.00 H new ATOM 295 N ASP A 218 -6.504 2.046 -3.090 1.00 1.00 N ATOM 296 CA ASP A 218 -6.454 3.521 -2.892 1.00 1.00 C ATOM 297 C ASP A 218 -6.865 4.240 -4.181 1.00 1.00 C ATOM 298 O ASP A 218 -7.390 3.641 -5.097 1.00 1.00 O ATOM 299 CB ASP A 218 -4.992 3.828 -2.553 1.00 1.00 C ATOM 300 CG ASP A 218 -4.059 2.937 -3.380 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.432 2.590 -4.488 1.00 1.00 O ATOM 302 OD2 ASP A 218 -2.988 2.618 -2.889 1.00 1.00 O ATOM 0 H ASP A 218 -5.993 1.703 -3.903 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.133 3.855 -2.108 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.777 4.878 -2.754 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.815 3.664 -1.490 1.00 1.00 H new ATOM 307 N ARG A 219 -6.626 5.521 -4.258 1.00 1.00 N ATOM 308 CA ARG A 219 -7.000 6.280 -5.486 1.00 1.00 C ATOM 309 C ARG A 219 -6.390 5.620 -6.721 1.00 1.00 C ATOM 310 O ARG A 219 -6.951 5.657 -7.799 1.00 1.00 O ATOM 311 CB ARG A 219 -6.402 7.671 -5.295 1.00 1.00 C ATOM 312 CG ARG A 219 -7.510 8.722 -5.366 1.00 1.00 C ATOM 313 CD ARG A 219 -8.265 8.765 -4.037 1.00 1.00 C ATOM 314 NE ARG A 219 -8.305 10.206 -3.665 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.090 10.611 -2.705 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.373 10.381 -2.771 1.00 1.00 N ATOM 317 NH2 ARG A 219 -8.593 11.244 -1.678 1.00 1.00 N ATOM 0 H ARG A 219 -6.187 6.076 -3.523 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.080 6.311 -5.631 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.893 7.730 -4.333 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.654 7.865 -6.064 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.083 9.701 -5.584 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.197 8.486 -6.178 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.270 8.356 -4.140 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.757 8.174 -3.275 1.00 1.00 H new ATOM 0 HE ARG A 219 -7.718 10.877 -4.161 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.762 9.885 -3.573 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -10.987 10.697 -2.021 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.590 11.422 -1.625 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.207 11.560 -0.928 1.00 1.00 H new ATOM 331 N THR A 220 -5.240 5.026 -6.579 1.00 1.00 N ATOM 332 CA THR A 220 -4.594 4.377 -7.751 1.00 1.00 C ATOM 333 C THR A 220 -5.047 2.921 -7.865 1.00 1.00 C ATOM 334 O THR A 220 -4.496 2.148 -8.623 1.00 1.00 O ATOM 335 CB THR A 220 -3.092 4.452 -7.472 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.782 3.645 -6.346 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.693 5.900 -7.190 1.00 1.00 C ATOM 0 H THR A 220 -4.720 4.962 -5.704 1.00 1.00 H new ATOM 0 HA THR A 220 -4.857 4.866 -8.689 1.00 1.00 H new ATOM 0 HB THR A 220 -2.543 4.091 -8.342 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.611 3.371 -5.901 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.622 5.950 -6.992 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.931 6.518 -8.056 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.241 6.266 -6.321 1.00 1.00 H new ATOM 345 N GLY A 221 -6.047 2.542 -7.120 1.00 1.00 N ATOM 346 CA GLY A 221 -6.536 1.138 -7.184 1.00 1.00 C ATOM 347 C GLY A 221 -5.384 0.178 -6.880 1.00 1.00 C ATOM 348 O GLY A 221 -5.352 -0.939 -7.360 1.00 1.00 O ATOM 0 H GLY A 221 -6.548 3.146 -6.468 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.344 0.991 -6.467 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.945 0.930 -8.173 1.00 1.00 H new ATOM 352 N HIS A 222 -4.438 0.598 -6.084 1.00 1.00 N ATOM 353 CA HIS A 222 -3.295 -0.301 -5.751 1.00 1.00 C ATOM 354 C HIS A 222 -3.660 -1.185 -4.557 1.00 1.00 C ATOM 355 O HIS A 222 -4.795 -1.226 -4.128 1.00 1.00 O ATOM 356 CB HIS A 222 -2.134 0.629 -5.399 1.00 1.00 C ATOM 357 CG HIS A 222 -1.545 1.187 -6.665 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.312 1.409 -7.797 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.269 1.569 -6.993 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.496 1.904 -8.746 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.239 2.023 -8.309 1.00 1.00 N ATOM 0 H HIS A 222 -4.407 1.521 -5.651 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.038 -0.965 -6.577 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.483 1.439 -4.758 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.373 0.085 -4.839 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.312 1.230 -7.894 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.583 1.524 -6.331 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.818 2.173 -9.741 1.00 1.00 H new ATOM 369 N TYR A 223 -2.709 -1.900 -4.023 1.00 1.00 N ATOM 370 CA TYR A 223 -3.011 -2.787 -2.869 1.00 1.00 C ATOM 371 C TYR A 223 -1.925 -2.668 -1.795 1.00 1.00 C ATOM 372 O TYR A 223 -1.105 -3.549 -1.635 1.00 1.00 O ATOM 373 CB TYR A 223 -3.013 -4.189 -3.470 1.00 1.00 C ATOM 374 CG TYR A 223 -4.392 -4.519 -3.984 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.508 -4.343 -3.159 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.555 -5.004 -5.287 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.788 -4.651 -3.636 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.834 -5.313 -5.764 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.951 -5.137 -4.939 1.00 1.00 C ATOM 380 OH TYR A 223 -8.213 -5.442 -5.406 1.00 1.00 O ATOM 0 H TYR A 223 -1.738 -1.907 -4.336 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.953 -2.534 -2.383 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.288 -4.248 -4.282 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.710 -4.918 -2.718 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.382 -3.969 -2.154 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.694 -5.140 -5.924 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.649 -4.514 -2.999 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.959 -5.687 -6.769 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.151 -5.766 -6.329 1.00 1.00 H new ATOM 390 N LEU A 224 -1.912 -1.594 -1.053 1.00 1.00 N ATOM 391 CA LEU A 224 -0.872 -1.444 0.008 1.00 1.00 C ATOM 392 C LEU A 224 -1.024 -2.556 1.049 1.00 1.00 C ATOM 393 O LEU A 224 -1.996 -3.284 1.053 1.00 1.00 O ATOM 394 CB LEU A 224 -1.127 -0.077 0.643 1.00 1.00 C ATOM 395 CG LEU A 224 -0.580 1.020 -0.270 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.716 2.378 0.422 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.895 0.745 -0.560 1.00 1.00 C ATOM 0 H LEU A 224 -2.570 -0.819 -1.133 1.00 1.00 H new ATOM 0 HA LEU A 224 0.138 -1.515 -0.396 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.195 0.068 0.803 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.648 -0.023 1.621 1.00 1.00 H new ATOM 0 HG LEU A 224 -1.143 1.031 -1.203 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.326 3.159 -0.230 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -1.767 2.574 0.635 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.153 2.369 1.355 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.289 1.525 -1.211 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.454 0.736 0.376 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.995 -0.223 -1.052 1.00 1.00 H new ATOM 409 N CYS A 225 -0.072 -2.694 1.929 1.00 1.00 N ATOM 410 CA CYS A 225 -0.170 -3.762 2.964 1.00 1.00 C ATOM 411 C CYS A 225 -0.739 -3.190 4.267 1.00 1.00 C ATOM 412 O CYS A 225 -1.504 -3.837 4.954 1.00 1.00 O ATOM 413 CB CYS A 225 1.265 -4.251 3.166 1.00 1.00 C ATOM 414 SG CYS A 225 2.289 -2.898 3.791 1.00 1.00 S ATOM 0 H CYS A 225 0.767 -2.116 1.977 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.835 -4.571 2.662 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.280 -5.085 3.868 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.669 -4.620 2.224 1.00 1.00 H new ATOM 419 N ASN A 226 -0.376 -1.982 4.613 1.00 1.00 N ATOM 420 CA ASN A 226 -0.906 -1.379 5.873 1.00 1.00 C ATOM 421 C ASN A 226 -0.174 -0.070 6.193 1.00 1.00 C ATOM 422 O ASN A 226 -0.713 1.008 6.034 1.00 1.00 O ATOM 423 CB ASN A 226 -0.635 -2.422 6.960 1.00 1.00 C ATOM 424 CG ASN A 226 -1.960 -2.871 7.584 1.00 1.00 C ATOM 425 OD1 ASN A 226 -2.231 -2.542 8.818 1.00 1.00 O flip ATOM 426 ND2 ASN A 226 -2.754 -3.529 6.943 1.00 1.00 N flip ATOM 0 H ASN A 226 0.261 -1.389 4.081 1.00 1.00 H new ATOM 0 HA ASN A 226 -1.966 -1.136 5.794 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -0.113 -3.279 6.534 1.00 1.00 H new ATOM 0 HB3 ASN A 226 0.016 -2.002 7.727 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -2.542 -3.786 5.979 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.633 -3.825 7.369 1.00 1.00 H new ATOM 433 N ALA A 227 1.044 -0.155 6.655 1.00 1.00 N ATOM 434 CA ALA A 227 1.808 1.082 6.998 1.00 1.00 C ATOM 435 C ALA A 227 2.105 1.909 5.744 1.00 1.00 C ATOM 436 O ALA A 227 2.178 3.120 5.793 1.00 1.00 O ATOM 437 CB ALA A 227 3.108 0.580 7.629 1.00 1.00 C ATOM 0 H ALA A 227 1.545 -1.029 6.811 1.00 1.00 H new ATOM 0 HA ALA A 227 1.246 1.732 7.669 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.728 1.431 7.910 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.878 -0.010 8.516 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.646 -0.039 6.911 1.00 1.00 H new ATOM 443 N CYS A 228 2.280 1.267 4.623 1.00 1.00 N ATOM 444 CA CYS A 228 2.577 2.026 3.373 1.00 1.00 C ATOM 445 C CYS A 228 1.473 3.051 3.096 1.00 1.00 C ATOM 446 O CYS A 228 1.705 4.078 2.488 1.00 1.00 O ATOM 447 CB CYS A 228 2.617 0.976 2.273 1.00 1.00 C ATOM 448 SG CYS A 228 4.159 0.030 2.383 1.00 1.00 S ATOM 0 H CYS A 228 2.231 0.254 4.517 1.00 1.00 H new ATOM 0 HA CYS A 228 3.513 2.581 3.442 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.762 0.307 2.365 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.543 1.456 1.297 1.00 1.00 H new ATOM 453 N GLY A 229 0.271 2.778 3.530 1.00 1.00 N ATOM 454 CA GLY A 229 -0.847 3.733 3.285 1.00 1.00 C ATOM 455 C GLY A 229 -0.898 4.775 4.406 1.00 1.00 C ATOM 456 O GLY A 229 -1.425 5.856 4.238 1.00 1.00 O ATOM 0 H GLY A 229 0.016 1.934 4.044 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.710 4.227 2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.793 3.194 3.235 1.00 1.00 H new ATOM 460 N LEU A 230 -0.358 4.458 5.553 1.00 1.00 N ATOM 461 CA LEU A 230 -0.380 5.434 6.682 1.00 1.00 C ATOM 462 C LEU A 230 -0.058 6.841 6.178 1.00 1.00 C ATOM 463 O LEU A 230 -0.741 7.795 6.491 1.00 1.00 O ATOM 464 CB LEU A 230 0.697 4.952 7.645 1.00 1.00 C ATOM 465 CG LEU A 230 0.326 5.359 9.072 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.336 6.886 9.185 1.00 1.00 C ATOM 467 CD2 LEU A 230 -1.072 4.833 9.407 1.00 1.00 C ATOM 0 H LEU A 230 0.096 3.568 5.757 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.359 5.487 7.158 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.800 3.869 7.580 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.661 5.381 7.373 1.00 1.00 H new ATOM 0 HG LEU A 230 1.049 4.937 9.769 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.072 7.177 10.202 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.331 7.262 8.947 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -0.388 7.307 8.487 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -1.336 5.123 10.424 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -1.796 5.255 8.710 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.081 3.746 9.326 1.00 1.00 H new ATOM 479 N TYR A 231 0.981 6.981 5.401 1.00 1.00 N ATOM 480 CA TYR A 231 1.347 8.329 4.880 1.00 1.00 C ATOM 481 C TYR A 231 0.249 8.859 3.952 1.00 1.00 C ATOM 482 O TYR A 231 -0.234 9.962 4.112 1.00 1.00 O ATOM 483 CB TYR A 231 2.644 8.111 4.103 1.00 1.00 C ATOM 484 CG TYR A 231 3.256 9.449 3.761 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.901 10.095 2.572 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.173 10.042 4.635 1.00 1.00 C ATOM 487 CE1 TYR A 231 3.464 11.337 2.256 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.736 11.283 4.318 1.00 1.00 C ATOM 489 CZ TYR A 231 4.381 11.930 3.129 1.00 1.00 C ATOM 490 OH TYR A 231 4.937 13.155 2.819 1.00 1.00 O ATOM 0 H TYR A 231 1.592 6.220 5.104 1.00 1.00 H new ATOM 0 HA TYR A 231 1.465 9.061 5.679 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.342 7.521 4.697 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.444 7.547 3.192 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.193 9.636 1.898 1.00 1.00 H new ATOM 0 HD2 TYR A 231 4.446 9.543 5.553 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.190 11.837 1.339 1.00 1.00 H new ATOM 0 HE2 TYR A 231 5.445 11.742 4.991 1.00 1.00 H new ATOM 0 HH TYR A 231 4.362 13.871 3.162 1.00 1.00 H new ATOM 500 N HIS A 232 -0.145 8.082 2.980 1.00 1.00 N ATOM 501 CA HIS A 232 -1.208 8.539 2.039 1.00 1.00 C ATOM 502 C HIS A 232 -2.463 8.956 2.813 1.00 1.00 C ATOM 503 O HIS A 232 -3.323 9.638 2.295 1.00 1.00 O ATOM 504 CB HIS A 232 -1.501 7.324 1.157 1.00 1.00 C ATOM 505 CG HIS A 232 -2.418 7.728 0.034 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.173 8.298 -1.190 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.792 7.554 0.104 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.374 8.475 -1.872 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.317 8.011 -1.047 1.00 1.00 N flip ATOM 0 H HIS A 232 0.224 7.149 2.796 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.897 9.405 1.454 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.572 6.921 0.755 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.961 6.533 1.750 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.252 8.553 -1.546 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.340 7.129 0.932 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.513 8.897 -2.856 1.00 1.00 H new ATOM 517 N LYS A 233 -2.574 8.547 4.047 1.00 1.00 N ATOM 518 CA LYS A 233 -3.777 8.915 4.847 1.00 1.00 C ATOM 519 C LYS A 233 -3.730 10.396 5.239 1.00 1.00 C ATOM 520 O LYS A 233 -4.651 11.144 4.981 1.00 1.00 O ATOM 521 CB LYS A 233 -3.710 8.028 6.092 1.00 1.00 C ATOM 522 CG LYS A 233 -3.681 6.558 5.671 1.00 1.00 C ATOM 523 CD LYS A 233 -5.069 5.944 5.863 1.00 1.00 C ATOM 524 CE LYS A 233 -5.019 4.450 5.529 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.076 3.761 6.848 1.00 1.00 N ATOM 0 H LYS A 233 -1.885 7.975 4.536 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.701 8.768 4.288 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.821 8.268 6.675 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.571 8.217 6.733 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.376 6.473 4.628 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.946 6.014 6.264 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.402 6.086 6.891 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.792 6.447 5.221 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.856 4.159 4.894 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.107 4.196 4.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.046 2.732 6.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.263 4.053 7.428 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -5.958 4.017 7.335 1.00 1.00 H new ATOM 539 N MET A 234 -2.668 10.824 5.865 1.00 1.00 N ATOM 540 CA MET A 234 -2.574 12.256 6.275 1.00 1.00 C ATOM 541 C MET A 234 -1.983 13.099 5.144 1.00 1.00 C ATOM 542 O MET A 234 -2.530 14.114 4.762 1.00 1.00 O ATOM 543 CB MET A 234 -1.647 12.260 7.492 1.00 1.00 C ATOM 544 CG MET A 234 -2.453 11.927 8.748 1.00 1.00 C ATOM 545 SD MET A 234 -2.030 13.096 10.064 1.00 1.00 S ATOM 546 CE MET A 234 -3.713 13.659 10.414 1.00 1.00 C ATOM 0 H MET A 234 -1.863 10.247 6.110 1.00 1.00 H new ATOM 0 HA MET A 234 -3.551 12.682 6.505 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.848 11.531 7.356 1.00 1.00 H new ATOM 0 HB3 MET A 234 -1.174 13.236 7.599 1.00 1.00 H new ATOM 0 HG2 MET A 234 -3.520 11.977 8.532 1.00 1.00 H new ATOM 0 HG3 MET A 234 -2.240 10.908 9.070 1.00 1.00 H new ATOM 0 HE1 MET A 234 -3.690 14.401 11.212 1.00 1.00 H new ATOM 0 HE2 MET A 234 -4.142 14.105 9.516 1.00 1.00 H new ATOM 0 HE3 MET A 234 -4.323 12.811 10.725 1.00 1.00 H new ATOM 556 N ASN A 235 -0.871 12.687 4.608 1.00 1.00 N ATOM 557 CA ASN A 235 -0.242 13.466 3.502 1.00 1.00 C ATOM 558 C ASN A 235 -1.080 13.349 2.228 1.00 1.00 C ATOM 559 O ASN A 235 -1.180 14.278 1.450 1.00 1.00 O ATOM 560 CB ASN A 235 1.133 12.829 3.299 1.00 1.00 C ATOM 561 CG ASN A 235 2.111 13.383 4.336 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.784 14.363 4.090 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.217 12.794 5.495 1.00 1.00 N ATOM 0 H ASN A 235 -0.368 11.844 4.886 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.169 14.528 3.737 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.061 11.746 3.394 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.497 13.037 2.293 1.00 1.00 H new ATOM 0 HD21 ASN A 235 2.865 13.157 6.194 1.00 1.00 H new ATOM 0 HD22 ASN A 235 1.652 11.971 5.702 1.00 1.00 H new ATOM 570 N GLY A 236 -1.683 12.216 2.009 1.00 1.00 N ATOM 571 CA GLY A 236 -2.513 12.036 0.791 1.00 1.00 C ATOM 572 C GLY A 236 -1.640 11.539 -0.363 1.00 1.00 C ATOM 573 O GLY A 236 -2.107 10.873 -1.266 1.00 1.00 O ATOM 0 H GLY A 236 -1.636 11.404 2.625 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.313 11.322 0.987 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.987 12.979 0.520 1.00 1.00 H new ATOM 577 N GLN A 237 -0.372 11.856 -0.344 1.00 1.00 N ATOM 578 CA GLN A 237 0.527 11.399 -1.441 1.00 1.00 C ATOM 579 C GLN A 237 0.880 9.922 -1.250 1.00 1.00 C ATOM 580 O GLN A 237 0.393 9.269 -0.349 1.00 1.00 O ATOM 581 CB GLN A 237 1.780 12.268 -1.317 1.00 1.00 C ATOM 582 CG GLN A 237 1.491 13.662 -1.876 1.00 1.00 C ATOM 583 CD GLN A 237 2.799 14.442 -2.003 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.402 14.806 -1.013 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.270 14.716 -3.189 1.00 1.00 N ATOM 0 H GLN A 237 0.078 12.411 0.384 1.00 1.00 H new ATOM 0 HA GLN A 237 0.062 11.493 -2.422 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.084 12.339 -0.273 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.608 11.811 -1.860 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.007 13.582 -2.849 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.801 14.193 -1.220 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.765 14.411 -4.021 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.143 15.235 -3.284 1.00 1.00 H new ATOM 594 N ASN A 238 1.725 9.390 -2.091 1.00 1.00 N ATOM 595 CA ASN A 238 2.109 7.957 -1.956 1.00 1.00 C ATOM 596 C ASN A 238 3.139 7.788 -0.835 1.00 1.00 C ATOM 597 O ASN A 238 3.090 8.467 0.172 1.00 1.00 O ATOM 598 CB ASN A 238 2.717 7.589 -3.308 1.00 1.00 C ATOM 599 CG ASN A 238 1.768 8.015 -4.429 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.738 7.407 -4.634 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.075 9.046 -5.170 1.00 1.00 N ATOM 0 H ASN A 238 2.166 9.886 -2.866 1.00 1.00 H new ATOM 0 HA ASN A 238 1.262 7.320 -1.702 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.683 8.079 -3.429 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.896 6.515 -3.358 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.449 9.339 -5.920 1.00 1.00 H new ATOM 0 HD22 ASN A 238 2.941 9.558 -4.998 1.00 1.00 H new ATOM 608 N ARG A 239 4.069 6.890 -1.001 1.00 1.00 N ATOM 609 CA ARG A 239 5.100 6.680 0.056 1.00 1.00 C ATOM 610 C ARG A 239 6.313 5.950 -0.530 1.00 1.00 C ATOM 611 O ARG A 239 6.181 4.877 -1.086 1.00 1.00 O ATOM 612 CB ARG A 239 4.410 5.817 1.112 1.00 1.00 C ATOM 613 CG ARG A 239 5.329 5.659 2.325 1.00 1.00 C ATOM 614 CD ARG A 239 4.722 4.645 3.298 1.00 1.00 C ATOM 615 NE ARG A 239 4.547 5.392 4.573 1.00 1.00 N ATOM 616 CZ ARG A 239 5.582 5.921 5.168 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.353 5.181 5.918 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.846 7.190 5.014 1.00 1.00 N ATOM 0 H ARG A 239 4.161 6.292 -1.822 1.00 1.00 H new ATOM 0 HA ARG A 239 5.466 7.618 0.473 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.469 6.276 1.413 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.168 4.839 0.696 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.316 5.326 2.005 1.00 1.00 H new ATOM 0 HG3 ARG A 239 5.462 6.620 2.821 1.00 1.00 H new ATOM 0 HD2 ARG A 239 3.769 4.265 2.929 1.00 1.00 H new ATOM 0 HD3 ARG A 239 5.378 3.785 3.431 1.00 1.00 H new ATOM 0 HE ARG A 239 3.618 5.491 4.982 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.147 4.189 6.039 1.00 1.00 H new ATOM 0 HH12 ARG A 239 7.161 5.594 6.383 1.00 1.00 H new ATOM 0 HH21 ARG A 239 5.244 7.769 4.429 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.655 7.603 5.479 1.00 1.00 H new ATOM 632 N PRO A 240 7.459 6.560 -0.386 1.00 1.00 N ATOM 633 CA PRO A 240 8.711 5.960 -0.911 1.00 1.00 C ATOM 634 C PRO A 240 9.155 4.784 -0.037 1.00 1.00 C ATOM 635 O PRO A 240 8.644 4.572 1.044 1.00 1.00 O ATOM 636 CB PRO A 240 9.717 7.102 -0.833 1.00 1.00 C ATOM 637 CG PRO A 240 9.197 8.007 0.241 1.00 1.00 C ATOM 638 CD PRO A 240 7.698 7.849 0.273 1.00 1.00 C ATOM 0 HA PRO A 240 8.601 5.562 -1.920 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.714 6.734 -0.590 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.794 7.625 -1.786 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.632 7.747 1.206 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.470 9.042 0.037 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.319 7.850 1.295 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.200 8.664 -0.253 1.00 1.00 H new ATOM 646 N LEU A 241 10.103 4.020 -0.502 1.00 1.00 N ATOM 647 CA LEU A 241 10.586 2.861 0.291 1.00 1.00 C ATOM 648 C LEU A 241 11.956 3.174 0.902 1.00 1.00 C ATOM 649 O LEU A 241 12.411 4.300 0.885 1.00 1.00 O ATOM 650 CB LEU A 241 10.689 1.710 -0.712 1.00 1.00 C ATOM 651 CG LEU A 241 9.288 1.212 -1.073 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.489 0.955 0.206 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.572 2.269 -1.917 1.00 1.00 C ATOM 0 H LEU A 241 10.565 4.151 -1.402 1.00 1.00 H new ATOM 0 HA LEU A 241 9.920 2.618 1.119 1.00 1.00 H new ATOM 0 HB2 LEU A 241 11.209 2.043 -1.610 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.276 0.896 -0.287 1.00 1.00 H new ATOM 0 HG LEU A 241 9.369 0.286 -1.642 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.491 0.600 -0.053 1.00 1.00 H new ATOM 0 HD12 LEU A 241 8.997 0.201 0.807 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.408 1.880 0.777 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.574 1.914 -2.174 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.493 3.196 -1.349 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.139 2.451 -2.830 1.00 1.00 H new ATOM 665 N ILE A 242 12.617 2.186 1.444 1.00 1.00 N ATOM 666 CA ILE A 242 13.950 2.426 2.056 1.00 1.00 C ATOM 667 C ILE A 242 15.057 2.249 1.013 1.00 1.00 C ATOM 668 O ILE A 242 15.024 1.338 0.208 1.00 1.00 O ATOM 669 CB ILE A 242 14.076 1.374 3.159 1.00 1.00 C ATOM 670 CG1 ILE A 242 13.150 1.741 4.321 1.00 1.00 C ATOM 671 CG2 ILE A 242 15.522 1.326 3.656 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.476 3.154 4.808 1.00 1.00 C ATOM 0 H ILE A 242 12.288 1.222 1.488 1.00 1.00 H new ATOM 0 HA ILE A 242 14.046 3.439 2.446 1.00 1.00 H new ATOM 0 HB ILE A 242 13.795 0.398 2.764 1.00 1.00 H new ATOM 0 HG12 ILE A 242 12.109 1.686 4.002 1.00 1.00 H new ATOM 0 HG13 ILE A 242 13.271 1.027 5.136 1.00 1.00 H new ATOM 0 HG21 ILE A 242 15.612 0.576 4.442 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.183 1.066 2.829 1.00 1.00 H new ATOM 0 HG23 ILE A 242 15.803 2.302 4.052 1.00 1.00 H new ATOM 0 HD11 ILE A 242 12.816 3.415 5.636 1.00 1.00 H new ATOM 0 HD12 ILE A 242 14.512 3.193 5.144 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.332 3.862 3.992 1.00 1.00 H new ATOM 684 N ARG A 243 16.038 3.110 1.021 1.00 1.00 N ATOM 685 CA ARG A 243 17.148 2.991 0.030 1.00 1.00 C ATOM 686 C ARG A 243 18.321 2.214 0.632 1.00 1.00 C ATOM 687 O ARG A 243 18.142 1.633 1.690 1.00 1.00 O ATOM 688 CB ARG A 243 17.561 4.427 -0.275 1.00 1.00 C ATOM 689 CG ARG A 243 17.320 4.725 -1.756 1.00 1.00 C ATOM 690 CD ARG A 243 18.660 4.771 -2.492 1.00 1.00 C ATOM 691 NE ARG A 243 19.066 6.203 -2.464 1.00 1.00 N ATOM 692 CZ ARG A 243 19.291 6.839 -3.580 1.00 1.00 C ATOM 693 NH1 ARG A 243 19.966 6.259 -4.536 1.00 1.00 N ATOM 694 NH2 ARG A 243 18.844 8.054 -3.742 1.00 1.00 N ATOM 695 OXT ARG A 243 19.380 2.214 0.025 1.00 0.00 O ATOM 0 H ARG A 243 16.120 3.892 1.671 1.00 1.00 H new ATOM 0 HA ARG A 243 16.841 2.454 -0.867 1.00 1.00 H new ATOM 0 HB2 ARG A 243 16.990 5.120 0.344 1.00 1.00 H new ATOM 0 HB3 ARG A 243 18.613 4.574 -0.030 1.00 1.00 H new ATOM 0 HG2 ARG A 243 16.679 3.959 -2.192 1.00 1.00 H new ATOM 0 HG3 ARG A 243 16.800 5.676 -1.866 1.00 1.00 H new ATOM 0 HD2 ARG A 243 19.402 4.141 -2.001 1.00 1.00 H new ATOM 0 HD3 ARG A 243 18.561 4.409 -3.515 1.00 1.00 H new ATOM 0 HE ARG A 243 19.168 6.687 -1.572 1.00 1.00 H new ATOM 0 HH11 ARG A 243 20.317 5.310 -4.409 1.00 1.00 H new ATOM 0 HH12 ARG A 243 20.143 6.756 -5.409 1.00 1.00 H new ATOM 0 HH21 ARG A 243 18.318 8.508 -2.995 1.00 1.00 H new ATOM 0 HH22 ARG A 243 19.021 8.550 -4.615 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.589 -2.169 2.039 1.00 1.00 ZN