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 161:sc= -0.841! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -1.77 K(o=-2.6,f=-5.4) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -9.26! C(o=-9.3!,f=-10!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -120:sc= -2.32! USER MOD Single : A 223 TYR OH : rot 180:sc= -0.0116 USER MOD Single : A 226 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.14) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.92 F(o=-3.7!,f=-1.9) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl -153:sc= -0.633 (180deg=-2.93!) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= -0.956 K(o=-0.96,f=-2!) USER MOD Single : A 238 ASN : amide:sc= -1.5! C(o=-1.5!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 5.151 -18.270 -6.508 1.00 1.00 N ATOM 2 CA GLY A 198 4.198 -17.882 -5.429 1.00 1.00 C ATOM 3 C GLY A 198 3.532 -16.553 -5.789 1.00 1.00 C ATOM 4 O GLY A 198 4.190 -15.548 -5.969 1.00 1.00 O ATOM 0 HA2 GLY A 198 3.442 -18.657 -5.301 1.00 1.00 H new ATOM 0 HA3 GLY A 198 4.725 -17.791 -4.479 1.00 1.00 H new ATOM 10 N SER A 199 2.233 -16.539 -5.900 1.00 1.00 N ATOM 11 CA SER A 199 1.526 -15.273 -6.250 1.00 1.00 C ATOM 12 C SER A 199 0.071 -15.328 -5.776 1.00 1.00 C ATOM 13 O SER A 199 -0.783 -14.626 -6.279 1.00 1.00 O ATOM 14 CB SER A 199 1.591 -15.194 -7.774 1.00 1.00 C ATOM 15 OG SER A 199 2.376 -14.070 -8.154 1.00 1.00 O ATOM 0 H SER A 199 1.629 -17.350 -5.764 1.00 1.00 H new ATOM 0 HA SER A 199 1.979 -14.402 -5.776 1.00 1.00 H new ATOM 0 HB2 SER A 199 2.025 -16.108 -8.179 1.00 1.00 H new ATOM 0 HB3 SER A 199 0.587 -15.107 -8.188 1.00 1.00 H new ATOM 0 HG SER A 199 2.421 -14.018 -9.132 1.00 1.00 H new ATOM 21 N GLU A 200 -0.217 -16.161 -4.814 1.00 1.00 N ATOM 22 CA GLU A 200 -1.614 -16.265 -4.308 1.00 1.00 C ATOM 23 C GLU A 200 -2.041 -14.955 -3.642 1.00 1.00 C ATOM 24 O GLU A 200 -2.897 -14.245 -4.132 1.00 1.00 O ATOM 25 CB GLU A 200 -1.580 -17.402 -3.286 1.00 1.00 C ATOM 26 CG GLU A 200 -2.974 -18.022 -3.162 1.00 1.00 C ATOM 27 CD GLU A 200 -3.639 -17.530 -1.874 1.00 1.00 C ATOM 28 OE1 GLU A 200 -3.608 -16.334 -1.634 1.00 1.00 O ATOM 29 OE2 GLU A 200 -4.171 -18.357 -1.151 1.00 1.00 O ATOM 0 H GLU A 200 0.456 -16.775 -4.356 1.00 1.00 H new ATOM 0 HA GLU A 200 -2.328 -16.456 -5.109 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.860 -18.160 -3.594 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -1.251 -17.025 -2.318 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -3.582 -17.750 -4.025 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -2.901 -19.109 -3.153 1.00 1.00 H new ATOM 36 N ALA A 201 -1.451 -14.635 -2.524 1.00 1.00 N ATOM 37 CA ALA A 201 -1.819 -13.376 -1.813 1.00 1.00 C ATOM 38 C ALA A 201 -1.494 -12.155 -2.679 1.00 1.00 C ATOM 39 O ALA A 201 -0.734 -12.237 -3.624 1.00 1.00 O ATOM 40 CB ALA A 201 -0.962 -13.376 -0.547 1.00 1.00 C ATOM 0 H ALA A 201 -0.727 -15.192 -2.070 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.885 -13.327 -1.589 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.173 -12.479 0.035 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.194 -14.258 0.049 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.093 -13.391 -0.822 1.00 1.00 H new ATOM 46 N ARG A 202 -2.059 -11.025 -2.357 1.00 1.00 N ATOM 47 CA ARG A 202 -1.780 -9.796 -3.155 1.00 1.00 C ATOM 48 C ARG A 202 -0.364 -9.293 -2.863 1.00 1.00 C ATOM 49 O ARG A 202 0.283 -9.739 -1.935 1.00 1.00 O ATOM 50 CB ARG A 202 -2.816 -8.773 -2.682 1.00 1.00 C ATOM 51 CG ARG A 202 -4.224 -9.300 -2.970 1.00 1.00 C ATOM 52 CD ARG A 202 -5.098 -8.158 -3.491 1.00 1.00 C ATOM 53 NE ARG A 202 -6.437 -8.770 -3.715 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.700 -9.373 -4.842 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.889 -8.675 -5.928 1.00 1.00 N ATOM 56 NH2 ARG A 202 -6.772 -10.675 -4.882 1.00 1.00 N ATOM 0 H ARG A 202 -2.702 -10.898 -1.576 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.844 -9.975 -4.228 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.697 -8.587 -1.615 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.661 -7.821 -3.191 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.180 -10.103 -3.705 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.659 -9.721 -2.064 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.152 -7.342 -2.770 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.695 -7.742 -4.414 1.00 1.00 H new ATOM 0 HE ARG A 202 -7.149 -8.718 -2.987 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.831 -7.657 -5.897 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.094 -9.147 -6.808 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -6.623 -11.220 -4.033 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -6.978 -11.148 -5.762 1.00 1.00 H new ATOM 70 N GLU A 203 0.124 -8.369 -3.642 1.00 1.00 N ATOM 71 CA GLU A 203 1.497 -7.841 -3.401 1.00 1.00 C ATOM 72 C GLU A 203 1.459 -6.318 -3.259 1.00 1.00 C ATOM 73 O GLU A 203 1.082 -5.609 -4.169 1.00 1.00 O ATOM 74 CB GLU A 203 2.305 -8.246 -4.634 1.00 1.00 C ATOM 75 CG GLU A 203 3.583 -8.960 -4.192 1.00 1.00 C ATOM 76 CD GLU A 203 4.688 -8.712 -5.219 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.669 -7.661 -5.840 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.538 -9.575 -5.366 1.00 1.00 O ATOM 0 H GLU A 203 -0.367 -7.956 -4.435 1.00 1.00 H new ATOM 0 HA GLU A 203 1.934 -8.235 -2.484 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.712 -8.901 -5.272 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.554 -7.365 -5.225 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.894 -8.597 -3.212 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.398 -10.030 -4.092 1.00 1.00 H new ATOM 85 N CYS A 204 1.846 -5.811 -2.120 1.00 1.00 N ATOM 86 CA CYS A 204 1.828 -4.339 -1.919 1.00 1.00 C ATOM 87 C CYS A 204 2.519 -3.630 -3.083 1.00 1.00 C ATOM 88 O CYS A 204 3.712 -3.748 -3.279 1.00 1.00 O ATOM 89 CB CYS A 204 2.603 -4.112 -0.627 1.00 1.00 C ATOM 90 SG CYS A 204 2.570 -2.357 -0.206 1.00 1.00 S ATOM 0 H CYS A 204 2.173 -6.355 -1.322 1.00 1.00 H new ATOM 0 HA CYS A 204 0.813 -3.945 -1.868 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.165 -4.699 0.180 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.633 -4.450 -0.744 1.00 1.00 H new ATOM 95 N VAL A 205 1.775 -2.886 -3.850 1.00 1.00 N ATOM 96 CA VAL A 205 2.375 -2.152 -4.999 1.00 1.00 C ATOM 97 C VAL A 205 3.596 -1.343 -4.545 1.00 1.00 C ATOM 98 O VAL A 205 4.395 -0.907 -5.351 1.00 1.00 O ATOM 99 CB VAL A 205 1.266 -1.216 -5.476 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.797 -0.351 -4.305 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.799 -0.312 -6.589 1.00 1.00 C ATOM 0 H VAL A 205 0.771 -2.753 -3.730 1.00 1.00 H new ATOM 0 HA VAL A 205 2.721 -2.825 -5.784 1.00 1.00 H new ATOM 0 HB VAL A 205 0.432 -1.806 -5.856 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.005 0.319 -4.641 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.417 -0.991 -3.509 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.634 0.237 -3.929 1.00 1.00 H new ATOM 0 HG21 VAL A 205 1.006 0.355 -6.927 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.633 0.279 -6.210 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.139 -0.925 -7.424 1.00 1.00 H new ATOM 111 N ASN A 206 3.735 -1.111 -3.265 1.00 1.00 N ATOM 112 CA ASN A 206 4.890 -0.302 -2.777 1.00 1.00 C ATOM 113 C ASN A 206 6.049 -1.184 -2.292 1.00 1.00 C ATOM 114 O ASN A 206 7.162 -1.055 -2.760 1.00 1.00 O ATOM 115 CB ASN A 206 4.328 0.521 -1.619 1.00 1.00 C ATOM 116 CG ASN A 206 3.779 1.845 -2.155 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.676 2.811 -1.425 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.421 1.932 -3.406 1.00 1.00 N ATOM 0 H ASN A 206 3.101 -1.446 -2.540 1.00 1.00 H new ATOM 0 HA ASN A 206 5.303 0.315 -3.575 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.538 -0.035 -1.113 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.108 0.710 -0.881 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.055 2.811 -3.772 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.507 1.121 -4.019 1.00 1.00 H new ATOM 125 N CYS A 207 5.823 -2.056 -1.342 1.00 1.00 N ATOM 126 CA CYS A 207 6.946 -2.887 -0.840 1.00 1.00 C ATOM 127 C CYS A 207 6.717 -4.383 -1.123 1.00 1.00 C ATOM 128 O CYS A 207 7.562 -5.207 -0.839 1.00 1.00 O ATOM 129 CB CYS A 207 7.003 -2.578 0.659 1.00 1.00 C ATOM 130 SG CYS A 207 5.708 -3.468 1.553 1.00 1.00 S ATOM 0 H CYS A 207 4.919 -2.224 -0.900 1.00 1.00 H new ATOM 0 HA CYS A 207 7.889 -2.659 -1.336 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.980 -2.856 1.054 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.888 -1.506 0.818 1.00 1.00 H new ATOM 135 N GLY A 208 5.603 -4.736 -1.710 1.00 1.00 N ATOM 136 CA GLY A 208 5.356 -6.176 -2.042 1.00 1.00 C ATOM 137 C GLY A 208 4.922 -6.955 -0.800 1.00 1.00 C ATOM 138 O GLY A 208 4.792 -8.163 -0.829 1.00 1.00 O ATOM 0 H GLY A 208 4.855 -4.095 -1.974 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.586 -6.249 -2.810 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.262 -6.619 -2.456 1.00 1.00 H new ATOM 142 N ALA A 209 4.690 -6.280 0.284 1.00 1.00 N ATOM 143 CA ALA A 209 4.257 -6.978 1.525 1.00 1.00 C ATOM 144 C ALA A 209 3.087 -7.913 1.211 1.00 1.00 C ATOM 145 O ALA A 209 2.032 -7.475 0.807 1.00 1.00 O ATOM 146 CB ALA A 209 3.806 -5.859 2.461 1.00 1.00 C ATOM 0 H ALA A 209 4.781 -5.268 0.367 1.00 1.00 H new ATOM 0 HA ALA A 209 5.048 -7.586 1.963 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.469 -6.288 3.405 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.640 -5.182 2.647 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.987 -5.307 2.000 1.00 1.00 H new ATOM 152 N THR A 210 3.261 -9.193 1.394 1.00 1.00 N ATOM 153 CA THR A 210 2.150 -10.141 1.096 1.00 1.00 C ATOM 154 C THR A 210 1.504 -10.619 2.398 1.00 1.00 C ATOM 155 O THR A 210 0.459 -11.239 2.394 1.00 1.00 O ATOM 156 CB THR A 210 2.810 -11.307 0.361 1.00 1.00 C ATOM 157 OG1 THR A 210 3.705 -10.801 -0.618 1.00 1.00 O ATOM 158 CG2 THR A 210 1.736 -12.158 -0.318 1.00 1.00 C ATOM 0 H THR A 210 4.121 -9.622 1.736 1.00 1.00 H new ATOM 0 HA THR A 210 1.361 -9.682 0.500 1.00 1.00 H new ATOM 0 HB THR A 210 3.360 -11.922 1.074 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.131 -11.548 -1.089 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.208 -12.989 -0.842 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.050 -12.546 0.435 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.184 -11.546 -1.031 1.00 1.00 H new ATOM 166 N ALA A 211 2.115 -10.328 3.513 1.00 1.00 N ATOM 167 CA ALA A 211 1.534 -10.756 4.816 1.00 1.00 C ATOM 168 C ALA A 211 0.956 -9.541 5.548 1.00 1.00 C ATOM 169 O ALA A 211 1.421 -9.160 6.604 1.00 1.00 O ATOM 170 CB ALA A 211 2.710 -11.346 5.596 1.00 1.00 C ATOM 0 H ALA A 211 2.992 -9.812 3.578 1.00 1.00 H new ATOM 0 HA ALA A 211 0.724 -11.476 4.699 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.365 -11.686 6.572 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.126 -12.189 5.044 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.478 -10.584 5.728 1.00 1.00 H new ATOM 176 N THR A 212 -0.049 -8.926 4.986 1.00 1.00 N ATOM 177 CA THR A 212 -0.657 -7.729 5.639 1.00 1.00 C ATOM 178 C THR A 212 -2.168 -7.933 5.813 1.00 1.00 C ATOM 179 O THR A 212 -2.774 -8.704 5.096 1.00 1.00 O ATOM 180 CB THR A 212 -0.356 -6.572 4.672 1.00 1.00 C ATOM 181 OG1 THR A 212 -0.381 -5.340 5.376 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.399 -6.539 3.549 1.00 1.00 C ATOM 0 H THR A 212 -0.477 -9.200 4.102 1.00 1.00 H new ATOM 0 HA THR A 212 -0.258 -7.538 6.635 1.00 1.00 H new ATOM 0 HB THR A 212 0.632 -6.724 4.238 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.068 -4.757 4.991 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.177 -5.716 2.870 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.372 -7.480 3.000 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.391 -6.397 3.978 1.00 1.00 H new ATOM 190 N PRO A 213 -2.730 -7.229 6.760 1.00 1.00 N ATOM 191 CA PRO A 213 -4.189 -7.335 7.022 1.00 1.00 C ATOM 192 C PRO A 213 -4.987 -6.760 5.846 1.00 1.00 C ATOM 193 O PRO A 213 -4.510 -6.719 4.730 1.00 1.00 O ATOM 194 CB PRO A 213 -4.383 -6.509 8.297 1.00 1.00 C ATOM 195 CG PRO A 213 -3.232 -5.558 8.313 1.00 1.00 C ATOM 196 CD PRO A 213 -2.077 -6.276 7.667 1.00 1.00 C ATOM 0 HA PRO A 213 -4.537 -8.361 7.137 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.335 -5.978 8.284 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.384 -7.144 9.183 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.475 -4.645 7.769 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.985 -5.265 9.333 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.428 -5.587 7.126 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.457 -6.785 8.405 1.00 1.00 H new ATOM 204 N LEU A 214 -6.202 -6.333 6.083 1.00 1.00 N ATOM 205 CA LEU A 214 -7.036 -5.775 4.973 1.00 1.00 C ATOM 206 C LEU A 214 -6.182 -4.950 4.008 1.00 1.00 C ATOM 207 O LEU A 214 -5.393 -4.118 4.412 1.00 1.00 O ATOM 208 CB LEU A 214 -8.074 -4.888 5.661 1.00 1.00 C ATOM 209 CG LEU A 214 -9.006 -4.287 4.606 1.00 1.00 C ATOM 210 CD1 LEU A 214 -10.160 -5.253 4.337 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.563 -2.957 5.116 1.00 1.00 C ATOM 0 H LEU A 214 -6.653 -6.346 6.998 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.498 -6.564 4.380 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -8.649 -5.472 6.380 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -7.578 -4.094 6.219 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.450 -4.118 3.684 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.824 -4.826 3.586 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.764 -6.201 3.974 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.716 -5.422 5.259 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.227 -2.529 4.365 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -10.119 -3.125 6.038 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.741 -2.268 5.309 1.00 1.00 H new ATOM 223 N TRP A 215 -6.333 -5.180 2.731 1.00 1.00 N ATOM 224 CA TRP A 215 -5.530 -4.418 1.731 1.00 1.00 C ATOM 225 C TRP A 215 -6.215 -3.092 1.395 1.00 1.00 C ATOM 226 O TRP A 215 -5.670 -2.028 1.609 1.00 1.00 O ATOM 227 CB TRP A 215 -5.491 -5.314 0.494 1.00 1.00 C ATOM 228 CG TRP A 215 -4.564 -6.465 0.726 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.881 -7.593 1.399 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.179 -6.620 0.294 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.782 -8.434 1.409 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.709 -7.878 0.740 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.293 -5.802 -0.434 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.410 -8.310 0.472 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.986 -6.234 -0.704 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.545 -7.485 -0.252 1.00 1.00 C ATOM 0 H TRP A 215 -6.979 -5.864 2.337 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.534 -4.179 2.103 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.492 -5.682 0.270 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.161 -4.739 -0.371 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.837 -7.804 1.855 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.766 -9.351 1.855 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.622 -4.836 -0.787 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.075 -9.275 0.822 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.316 -5.599 -1.264 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.463 -7.811 -0.463 1.00 1.00 H new ATOM 247 N ARG A 216 -7.404 -3.148 0.856 1.00 1.00 N ATOM 248 CA ARG A 216 -8.115 -1.890 0.491 1.00 1.00 C ATOM 249 C ARG A 216 -7.329 -1.154 -0.599 1.00 1.00 C ATOM 250 O ARG A 216 -6.143 -0.922 -0.470 1.00 1.00 O ATOM 251 CB ARG A 216 -8.154 -1.065 1.779 1.00 1.00 C ATOM 252 CG ARG A 216 -9.582 -0.567 2.029 1.00 1.00 C ATOM 253 CD ARG A 216 -10.157 0.012 0.733 1.00 1.00 C ATOM 254 NE ARG A 216 -11.255 0.918 1.169 1.00 1.00 N ATOM 255 CZ ARG A 216 -12.303 1.085 0.410 1.00 1.00 C ATOM 256 NH1 ARG A 216 -12.939 0.050 -0.065 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.713 2.291 0.124 1.00 1.00 N ATOM 0 H ARG A 216 -7.912 -4.009 0.653 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.117 -2.072 0.101 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.817 -1.670 2.621 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.472 -0.219 1.701 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -10.207 -1.387 2.382 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.582 0.193 2.810 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.397 0.555 0.172 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.532 -0.777 0.081 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.188 1.408 2.061 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.617 -0.892 0.157 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.758 0.183 -0.658 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.214 3.100 0.494 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.532 2.424 -0.469 1.00 1.00 H new ATOM 271 N ARG A 217 -7.973 -0.792 -1.674 1.00 1.00 N ATOM 272 CA ARG A 217 -7.252 -0.082 -2.767 1.00 1.00 C ATOM 273 C ARG A 217 -7.295 1.429 -2.536 1.00 1.00 C ATOM 274 O ARG A 217 -7.995 1.916 -1.672 1.00 1.00 O ATOM 275 CB ARG A 217 -8.011 -0.451 -4.040 1.00 1.00 C ATOM 276 CG ARG A 217 -8.087 -1.974 -4.171 1.00 1.00 C ATOM 277 CD ARG A 217 -9.421 -2.365 -4.809 1.00 1.00 C ATOM 278 NE ARG A 217 -9.352 -1.837 -6.201 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.318 -2.085 -7.042 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.391 -1.342 -7.040 1.00 1.00 N ATOM 281 NH2 ARG A 217 -10.210 -3.072 -7.888 1.00 1.00 N ATOM 0 H ARG A 217 -8.965 -0.957 -1.843 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.200 -0.363 -2.821 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.015 -0.028 -4.012 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.510 -0.026 -4.910 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.260 -2.339 -4.780 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.991 -2.439 -3.190 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.559 -3.446 -4.803 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.261 -1.933 -4.264 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.549 -1.281 -6.496 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.474 -0.568 -6.381 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.147 -1.535 -7.697 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.370 -3.650 -7.892 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -10.966 -3.265 -8.545 1.00 1.00 H new ATOM 295 N ASP A 218 -6.544 2.175 -3.300 1.00 1.00 N ATOM 296 CA ASP A 218 -6.534 3.653 -3.121 1.00 1.00 C ATOM 297 C ASP A 218 -7.015 4.347 -4.398 1.00 1.00 C ATOM 298 O ASP A 218 -7.618 3.739 -5.260 1.00 1.00 O ATOM 299 CB ASP A 218 -5.075 4.014 -2.830 1.00 1.00 C ATOM 300 CG ASP A 218 -4.139 3.165 -3.695 1.00 1.00 C ATOM 301 OD1 ASP A 218 -3.841 3.589 -4.799 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.736 2.108 -3.238 1.00 1.00 O ATOM 0 H ASP A 218 -5.937 1.824 -4.041 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.198 3.972 -2.318 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.907 5.072 -3.030 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.856 3.851 -1.775 1.00 1.00 H new ATOM 307 N ARG A 219 -6.756 5.621 -4.525 1.00 1.00 N ATOM 308 CA ARG A 219 -7.201 6.359 -5.743 1.00 1.00 C ATOM 309 C ARG A 219 -6.678 5.674 -7.007 1.00 1.00 C ATOM 310 O ARG A 219 -7.338 5.648 -8.026 1.00 1.00 O ATOM 311 CB ARG A 219 -6.589 7.753 -5.607 1.00 1.00 C ATOM 312 CG ARG A 219 -7.698 8.782 -5.366 1.00 1.00 C ATOM 313 CD ARG A 219 -8.305 8.570 -3.978 1.00 1.00 C ATOM 314 NE ARG A 219 -9.376 9.599 -3.866 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.427 10.378 -2.819 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.736 11.485 -2.797 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.168 10.051 -1.796 1.00 1.00 N ATOM 0 H ARG A 219 -6.255 6.183 -3.837 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.287 6.391 -5.826 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.878 7.770 -4.781 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.034 8.007 -6.510 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.295 9.791 -5.447 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.470 8.685 -6.130 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.711 7.564 -3.874 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.556 8.693 -3.196 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.070 9.695 -4.607 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.157 11.741 -3.597 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.775 12.094 -1.980 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.708 9.186 -1.813 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -10.207 10.660 -0.979 1.00 1.00 H new ATOM 331 N THR A 220 -5.493 5.127 -6.955 1.00 1.00 N ATOM 332 CA THR A 220 -4.936 4.460 -8.167 1.00 1.00 C ATOM 333 C THR A 220 -5.340 2.983 -8.200 1.00 1.00 C ATOM 334 O THR A 220 -4.978 2.251 -9.099 1.00 1.00 O ATOM 335 CB THR A 220 -3.418 4.604 -8.041 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.958 3.846 -6.932 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.060 6.077 -7.842 1.00 1.00 C ATOM 0 H THR A 220 -4.890 5.113 -6.132 1.00 1.00 H new ATOM 0 HA THR A 220 -5.310 4.906 -9.088 1.00 1.00 H new ATOM 0 HB THR A 220 -2.942 4.236 -8.950 1.00 1.00 H new ATOM 0 HG1 THR A 220 -1.997 3.678 -7.026 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.979 6.180 -7.752 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.410 6.655 -8.697 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.536 6.448 -6.934 1.00 1.00 H new ATOM 345 N GLY A 221 -6.100 2.541 -7.234 1.00 1.00 N ATOM 346 CA GLY A 221 -6.538 1.121 -7.221 1.00 1.00 C ATOM 347 C GLY A 221 -5.358 0.200 -6.896 1.00 1.00 C ATOM 348 O GLY A 221 -5.347 -0.957 -7.268 1.00 1.00 O ATOM 0 H GLY A 221 -6.435 3.105 -6.453 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.328 0.984 -6.483 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.959 0.855 -8.191 1.00 1.00 H new ATOM 352 N HIS A 222 -4.371 0.692 -6.198 1.00 1.00 N ATOM 353 CA HIS A 222 -3.209 -0.177 -5.852 1.00 1.00 C ATOM 354 C HIS A 222 -3.547 -1.024 -4.622 1.00 1.00 C ATOM 355 O HIS A 222 -4.672 -1.041 -4.164 1.00 1.00 O ATOM 356 CB HIS A 222 -2.058 0.783 -5.550 1.00 1.00 C ATOM 357 CG HIS A 222 -1.360 1.148 -6.830 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.695 2.353 -6.993 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.214 0.477 -8.020 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.186 2.371 -8.239 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.472 1.251 -8.908 1.00 1.00 N ATOM 0 H HIS A 222 -4.318 1.651 -5.854 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.951 -0.865 -6.657 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.438 1.681 -5.062 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.354 0.318 -4.860 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.614 -0.503 -8.234 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.385 3.192 -8.648 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.205 1.014 -9.863 1.00 1.00 H new ATOM 369 N TYR A 223 -2.593 -1.734 -4.087 1.00 1.00 N ATOM 370 CA TYR A 223 -2.880 -2.582 -2.898 1.00 1.00 C ATOM 371 C TYR A 223 -1.804 -2.400 -1.824 1.00 1.00 C ATOM 372 O TYR A 223 -1.132 -3.339 -1.445 1.00 1.00 O ATOM 373 CB TYR A 223 -2.860 -4.009 -3.435 1.00 1.00 C ATOM 374 CG TYR A 223 -4.218 -4.350 -3.998 1.00 1.00 C ATOM 375 CD1 TYR A 223 -4.525 -4.028 -5.325 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.173 -4.982 -3.193 1.00 1.00 C ATOM 377 CE1 TYR A 223 -5.785 -4.339 -5.848 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.433 -5.295 -3.716 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.740 -4.973 -5.043 1.00 1.00 C ATOM 380 OH TYR A 223 -7.982 -5.278 -5.559 1.00 1.00 O ATOM 0 H TYR A 223 -1.630 -1.763 -4.421 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.829 -2.324 -2.428 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.098 -4.108 -4.208 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.599 -4.706 -2.639 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.789 -3.539 -5.946 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.938 -5.228 -2.168 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.021 -4.090 -6.872 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.169 -5.785 -3.095 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.524 -5.716 -4.870 1.00 1.00 H new ATOM 390 N LEU A 224 -1.635 -1.208 -1.325 1.00 1.00 N ATOM 391 CA LEU A 224 -0.603 -0.986 -0.273 1.00 1.00 C ATOM 392 C LEU A 224 -0.834 -1.946 0.899 1.00 1.00 C ATOM 393 O LEU A 224 -1.896 -2.514 1.048 1.00 1.00 O ATOM 394 CB LEU A 224 -0.792 0.465 0.175 1.00 1.00 C ATOM 395 CG LEU A 224 -0.277 1.404 -0.915 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.756 2.830 -0.633 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.252 1.374 -0.929 1.00 1.00 C ATOM 0 H LEU A 224 -2.164 -0.380 -1.598 1.00 1.00 H new ATOM 0 HA LEU A 224 0.407 -1.167 -0.640 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.846 0.662 0.372 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.255 0.642 1.107 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.658 1.080 -1.883 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.388 3.498 -1.411 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -1.846 2.852 -0.621 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.376 3.157 0.335 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.622 2.043 -1.706 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.631 1.698 0.040 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.594 0.359 -1.131 1.00 1.00 H new ATOM 409 N CYS A 225 0.155 -2.132 1.730 1.00 1.00 N ATOM 410 CA CYS A 225 -0.006 -3.055 2.888 1.00 1.00 C ATOM 411 C CYS A 225 -0.263 -2.256 4.169 1.00 1.00 C ATOM 412 O CYS A 225 0.300 -2.532 5.209 1.00 1.00 O ATOM 413 CB CYS A 225 1.322 -3.808 2.980 1.00 1.00 C ATOM 414 SG CYS A 225 2.618 -2.676 3.535 1.00 1.00 S ATOM 0 H CYS A 225 1.068 -1.684 1.656 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.850 -3.733 2.764 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.232 -4.643 3.675 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.582 -4.228 2.008 1.00 1.00 H new ATOM 419 N ASN A 226 -1.115 -1.268 4.102 1.00 1.00 N ATOM 420 CA ASN A 226 -1.415 -0.452 5.316 1.00 1.00 C ATOM 421 C ASN A 226 -0.197 0.386 5.714 1.00 1.00 C ATOM 422 O ASN A 226 -0.251 1.600 5.753 1.00 1.00 O ATOM 423 CB ASN A 226 -1.746 -1.468 6.410 1.00 1.00 C ATOM 424 CG ASN A 226 -3.164 -1.220 6.930 1.00 1.00 C ATOM 425 OD1 ASN A 226 -4.082 -1.026 6.155 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.384 -1.221 8.215 1.00 1.00 N ATOM 0 H ASN A 226 -1.617 -0.990 3.259 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.235 0.246 5.145 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -1.664 -2.481 6.016 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.029 -1.385 7.227 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.326 -1.059 8.571 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.614 -1.384 8.864 1.00 1.00 H new ATOM 433 N ALA A 227 0.900 -0.250 6.017 1.00 1.00 N ATOM 434 CA ALA A 227 2.117 0.511 6.422 1.00 1.00 C ATOM 435 C ALA A 227 2.528 1.494 5.323 1.00 1.00 C ATOM 436 O ALA A 227 2.894 2.621 5.586 1.00 1.00 O ATOM 437 CB ALA A 227 3.199 -0.550 6.626 1.00 1.00 C ATOM 0 H ALA A 227 1.008 -1.264 6.002 1.00 1.00 H new ATOM 0 HA ALA A 227 1.949 1.102 7.322 1.00 1.00 H new ATOM 0 HB1 ALA A 227 4.129 -0.068 6.927 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.884 -1.247 7.403 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.356 -1.093 5.694 1.00 1.00 H new ATOM 443 N CYS A 228 2.471 1.073 4.092 1.00 1.00 N ATOM 444 CA CYS A 228 2.858 1.982 2.974 1.00 1.00 C ATOM 445 C CYS A 228 1.780 3.046 2.754 1.00 1.00 C ATOM 446 O CYS A 228 2.071 4.178 2.424 1.00 1.00 O ATOM 447 CB CYS A 228 2.975 1.080 1.753 1.00 1.00 C ATOM 448 SG CYS A 228 4.495 0.100 1.859 1.00 1.00 S ATOM 0 H CYS A 228 2.173 0.139 3.809 1.00 1.00 H new ATOM 0 HA CYS A 228 3.787 2.513 3.180 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.109 0.420 1.692 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.982 1.682 0.844 1.00 1.00 H new ATOM 453 N GLY A 229 0.536 2.691 2.932 1.00 1.00 N ATOM 454 CA GLY A 229 -0.558 3.684 2.731 1.00 1.00 C ATOM 455 C GLY A 229 -0.653 4.599 3.954 1.00 1.00 C ATOM 456 O GLY A 229 -1.332 5.607 3.933 1.00 1.00 O ATOM 0 H GLY A 229 0.230 1.758 3.208 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.366 4.276 1.836 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.506 3.169 2.575 1.00 1.00 H new ATOM 460 N LEU A 230 0.023 4.259 5.018 1.00 1.00 N ATOM 461 CA LEU A 230 -0.032 5.115 6.239 1.00 1.00 C ATOM 462 C LEU A 230 0.195 6.583 5.869 1.00 1.00 C ATOM 463 O LEU A 230 -0.488 7.466 6.348 1.00 1.00 O ATOM 464 CB LEU A 230 1.098 4.607 7.130 1.00 1.00 C ATOM 465 CG LEU A 230 0.567 4.379 8.547 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.710 3.921 9.456 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.017 5.686 9.086 1.00 1.00 C ATOM 0 H LEU A 230 0.610 3.428 5.095 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.000 5.060 6.737 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.503 3.678 6.728 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.914 5.329 7.148 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.208 3.613 8.525 1.00 1.00 H new ATOM 0 HD11 LEU A 230 1.330 3.759 10.465 1.00 1.00 H new ATOM 0 HD12 LEU A 230 2.129 2.991 9.073 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.486 4.686 9.479 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.396 5.526 10.095 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.760 6.450 9.107 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.832 6.014 8.440 1.00 1.00 H new ATOM 479 N TYR A 231 1.152 6.850 5.024 1.00 1.00 N ATOM 480 CA TYR A 231 1.425 8.261 4.626 1.00 1.00 C ATOM 481 C TYR A 231 0.178 8.885 3.993 1.00 1.00 C ATOM 482 O TYR A 231 -0.220 9.982 4.333 1.00 1.00 O ATOM 483 CB TYR A 231 2.557 8.170 3.604 1.00 1.00 C ATOM 484 CG TYR A 231 3.405 9.418 3.677 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.262 9.617 4.767 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.336 10.374 2.657 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.048 10.773 4.837 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.124 11.530 2.727 1.00 1.00 C ATOM 489 CZ TYR A 231 4.979 11.730 3.817 1.00 1.00 C ATOM 490 OH TYR A 231 5.755 12.869 3.885 1.00 1.00 O ATOM 0 H TYR A 231 1.757 6.152 4.591 1.00 1.00 H new ATOM 0 HA TYR A 231 1.693 8.886 5.478 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.169 7.290 3.801 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.147 8.055 2.601 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.316 8.879 5.553 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.676 10.220 1.816 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.708 10.927 5.678 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.072 12.267 1.940 1.00 1.00 H new ATOM 0 HH TYR A 231 5.587 13.427 3.097 1.00 1.00 H new ATOM 500 N HIS A 232 -0.438 8.196 3.073 1.00 1.00 N ATOM 501 CA HIS A 232 -1.655 8.751 2.416 1.00 1.00 C ATOM 502 C HIS A 232 -2.792 8.891 3.431 1.00 1.00 C ATOM 503 O HIS A 232 -3.635 9.759 3.319 1.00 1.00 O ATOM 504 CB HIS A 232 -2.020 7.735 1.335 1.00 1.00 C ATOM 505 CG HIS A 232 -2.909 8.387 0.310 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.634 8.982 -0.896 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.281 8.480 0.476 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.817 9.437 -1.473 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.779 9.110 -0.605 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.152 7.273 2.748 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.482 9.744 2.000 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.116 7.355 0.859 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.528 6.880 1.781 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.705 9.076 -1.307 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.848 8.114 1.319 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.932 9.945 -2.419 1.00 1.00 H new ATOM 517 N LYS A 233 -2.824 8.042 4.420 1.00 1.00 N ATOM 518 CA LYS A 233 -3.908 8.125 5.441 1.00 1.00 C ATOM 519 C LYS A 233 -3.728 9.374 6.306 1.00 1.00 C ATOM 520 O LYS A 233 -4.683 9.954 6.781 1.00 1.00 O ATOM 521 CB LYS A 233 -3.752 6.860 6.286 1.00 1.00 C ATOM 522 CG LYS A 233 -4.233 5.650 5.486 1.00 1.00 C ATOM 523 CD LYS A 233 -4.370 4.443 6.417 1.00 1.00 C ATOM 524 CE LYS A 233 -5.570 3.598 5.982 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.746 4.238 6.636 1.00 1.00 N ATOM 0 H LYS A 233 -2.147 7.294 4.566 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.897 8.194 4.988 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.709 6.728 6.573 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.327 6.952 7.207 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -5.191 5.870 5.015 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.528 5.427 4.685 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.460 3.843 6.389 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -4.501 4.777 7.446 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.676 3.591 4.897 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.458 2.561 6.298 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.610 3.715 6.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -6.620 4.224 7.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.831 5.222 6.311 1.00 1.00 H new ATOM 539 N MET A 234 -2.509 9.790 6.518 1.00 1.00 N ATOM 540 CA MET A 234 -2.269 10.997 7.354 1.00 1.00 C ATOM 541 C MET A 234 -1.820 12.172 6.482 1.00 1.00 C ATOM 542 O MET A 234 -2.396 13.240 6.515 1.00 1.00 O ATOM 543 CB MET A 234 -1.158 10.588 8.319 1.00 1.00 C ATOM 544 CG MET A 234 -1.760 9.804 9.486 1.00 1.00 C ATOM 545 SD MET A 234 -1.246 10.557 11.050 1.00 1.00 S ATOM 546 CE MET A 234 0.516 10.697 10.665 1.00 1.00 C ATOM 0 H MET A 234 -1.669 9.345 6.147 1.00 1.00 H new ATOM 0 HA MET A 234 -3.168 11.323 7.877 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.418 9.979 7.801 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.640 11.472 8.690 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.848 9.800 9.412 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.434 8.765 9.446 1.00 1.00 H new ATOM 0 HE1 MET A 234 1.093 10.676 11.589 1.00 1.00 H new ATOM 0 HE2 MET A 234 0.817 9.864 10.030 1.00 1.00 H new ATOM 0 HE3 MET A 234 0.701 11.636 10.143 1.00 1.00 H new ATOM 556 N ASN A 235 -0.794 11.978 5.704 1.00 1.00 N ATOM 557 CA ASN A 235 -0.300 13.079 4.828 1.00 1.00 C ATOM 558 C ASN A 235 -1.152 13.174 3.560 1.00 1.00 C ATOM 559 O ASN A 235 -1.317 14.234 2.988 1.00 1.00 O ATOM 560 CB ASN A 235 1.136 12.691 4.483 1.00 1.00 C ATOM 561 CG ASN A 235 2.078 13.195 5.576 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.711 14.222 5.426 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.196 12.512 6.683 1.00 1.00 N ATOM 0 H ASN A 235 -0.274 11.103 5.635 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.355 14.052 5.316 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.218 11.608 4.388 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.418 13.118 3.520 1.00 1.00 H new ATOM 0 HD21 ASN A 235 2.819 12.840 7.421 1.00 1.00 H new ATOM 0 HD22 ASN A 235 1.665 11.650 6.810 1.00 1.00 H new ATOM 570 N GLY A 236 -1.695 12.075 3.120 1.00 1.00 N ATOM 571 CA GLY A 236 -2.536 12.096 1.896 1.00 1.00 C ATOM 572 C GLY A 236 -1.670 11.806 0.669 1.00 1.00 C ATOM 573 O GLY A 236 -2.166 11.461 -0.385 1.00 1.00 O ATOM 0 H GLY A 236 -1.591 11.160 3.558 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.330 11.354 1.976 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.018 13.068 1.791 1.00 1.00 H new ATOM 577 N GLN A 237 -0.379 11.941 0.795 1.00 1.00 N ATOM 578 CA GLN A 237 0.515 11.671 -0.367 1.00 1.00 C ATOM 579 C GLN A 237 0.742 10.165 -0.521 1.00 1.00 C ATOM 580 O GLN A 237 0.034 9.359 0.052 1.00 1.00 O ATOM 581 CB GLN A 237 1.828 12.382 -0.033 1.00 1.00 C ATOM 582 CG GLN A 237 1.785 13.814 -0.569 1.00 1.00 C ATOM 583 CD GLN A 237 1.672 13.786 -2.096 1.00 1.00 C ATOM 584 OE1 GLN A 237 0.586 13.711 -2.636 1.00 1.00 O ATOM 585 NE2 GLN A 237 2.757 13.846 -2.818 1.00 1.00 N ATOM 0 H GLN A 237 0.096 12.226 1.651 1.00 1.00 H new ATOM 0 HA GLN A 237 0.089 12.025 -1.306 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.985 12.391 1.046 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.667 11.843 -0.472 1.00 1.00 H new ATOM 0 HG2 GLN A 237 0.937 14.348 -0.141 1.00 1.00 H new ATOM 0 HG3 GLN A 237 2.684 14.352 -0.270 1.00 1.00 H new ATOM 0 HE21 GLN A 237 3.668 13.909 -2.365 1.00 1.00 H new ATOM 0 HE22 GLN A 237 2.694 13.830 -3.836 1.00 1.00 H new ATOM 594 N ASN A 238 1.721 9.778 -1.293 1.00 1.00 N ATOM 595 CA ASN A 238 1.991 8.328 -1.486 1.00 1.00 C ATOM 596 C ASN A 238 3.012 7.837 -0.457 1.00 1.00 C ATOM 597 O ASN A 238 3.036 8.284 0.673 1.00 1.00 O ATOM 598 CB ASN A 238 2.565 8.230 -2.898 1.00 1.00 C ATOM 599 CG ASN A 238 1.605 8.891 -3.886 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.235 10.036 -3.719 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.180 8.213 -4.918 1.00 1.00 N ATOM 0 H ASN A 238 2.346 10.406 -1.799 1.00 1.00 H new ATOM 0 HA ASN A 238 1.098 7.716 -1.359 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.539 8.717 -2.940 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.719 7.185 -3.168 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.538 8.645 -5.583 1.00 1.00 H new ATOM 0 HD22 ASN A 238 1.490 7.252 -5.059 1.00 1.00 H new ATOM 608 N ARG A 239 3.858 6.920 -0.839 1.00 1.00 N ATOM 609 CA ARG A 239 4.880 6.399 0.112 1.00 1.00 C ATOM 610 C ARG A 239 6.183 6.100 -0.634 1.00 1.00 C ATOM 611 O ARG A 239 6.253 5.170 -1.413 1.00 1.00 O ATOM 612 CB ARG A 239 4.277 5.113 0.680 1.00 1.00 C ATOM 613 CG ARG A 239 5.166 4.584 1.806 1.00 1.00 C ATOM 614 CD ARG A 239 4.767 5.245 3.127 1.00 1.00 C ATOM 615 NE ARG A 239 5.770 4.764 4.118 1.00 1.00 N ATOM 616 CZ ARG A 239 5.849 5.325 5.293 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.107 4.891 6.275 1.00 1.00 N ATOM 618 NH2 ARG A 239 6.669 6.320 5.487 1.00 1.00 N ATOM 0 H ARG A 239 3.885 6.508 -1.772 1.00 1.00 H new ATOM 0 HA ARG A 239 5.119 7.115 0.899 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.272 5.306 1.056 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.185 4.364 -0.107 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.066 3.501 1.884 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.213 4.792 1.585 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.783 6.332 3.045 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.756 4.962 3.420 1.00 1.00 H new ATOM 0 HE ARG A 239 6.396 3.995 3.877 1.00 1.00 H new ATOM 0 HH11 ARG A 239 4.465 4.113 6.124 1.00 1.00 H new ATOM 0 HH12 ARG A 239 5.169 5.330 7.194 1.00 1.00 H new ATOM 0 HH21 ARG A 239 7.249 6.660 4.720 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.731 6.758 6.406 1.00 1.00 H new ATOM 632 N PRO A 240 7.174 6.910 -0.375 1.00 1.00 N ATOM 633 CA PRO A 240 8.490 6.738 -1.035 1.00 1.00 C ATOM 634 C PRO A 240 9.229 5.529 -0.455 1.00 1.00 C ATOM 635 O PRO A 240 8.739 4.853 0.427 1.00 1.00 O ATOM 636 CB PRO A 240 9.227 8.033 -0.706 1.00 1.00 C ATOM 637 CG PRO A 240 8.589 8.535 0.550 1.00 1.00 C ATOM 638 CD PRO A 240 7.162 8.048 0.550 1.00 1.00 C ATOM 0 HA PRO A 240 8.410 6.557 -2.107 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.293 7.855 -0.563 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.131 8.758 -1.514 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.122 8.166 1.426 1.00 1.00 H new ATOM 0 HG3 PRO A 240 8.624 9.624 0.591 1.00 1.00 H new ATOM 0 HD2 PRO A 240 6.843 7.747 1.548 1.00 1.00 H new ATOM 0 HD3 PRO A 240 6.475 8.826 0.217 1.00 1.00 H new ATOM 646 N LEU A 241 10.409 5.259 -0.942 1.00 1.00 N ATOM 647 CA LEU A 241 11.184 4.104 -0.422 1.00 1.00 C ATOM 648 C LEU A 241 12.666 4.472 -0.320 1.00 1.00 C ATOM 649 O LEU A 241 13.080 5.537 -0.734 1.00 1.00 O ATOM 650 CB LEU A 241 10.973 2.985 -1.443 1.00 1.00 C ATOM 651 CG LEU A 241 9.485 2.876 -1.782 1.00 1.00 C ATOM 652 CD1 LEU A 241 9.289 1.842 -2.893 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.709 2.436 -0.538 1.00 1.00 C ATOM 0 H LEU A 241 10.869 5.792 -1.680 1.00 1.00 H new ATOM 0 HA LEU A 241 10.861 3.804 0.575 1.00 1.00 H new ATOM 0 HB2 LEU A 241 11.548 3.189 -2.346 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.335 2.039 -1.041 1.00 1.00 H new ATOM 0 HG LEU A 241 9.118 3.846 -2.117 1.00 1.00 H new ATOM 0 HD11 LEU A 241 8.229 1.764 -3.135 1.00 1.00 H new ATOM 0 HD12 LEU A 241 9.842 2.152 -3.780 1.00 1.00 H new ATOM 0 HD13 LEU A 241 9.657 0.873 -2.557 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.649 2.358 -0.779 1.00 1.00 H new ATOM 0 HD22 LEU A 241 9.077 1.466 -0.204 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.848 3.170 0.256 1.00 1.00 H new ATOM 665 N ILE A 242 13.469 3.602 0.229 1.00 1.00 N ATOM 666 CA ILE A 242 14.917 3.907 0.358 1.00 1.00 C ATOM 667 C ILE A 242 15.728 3.086 -0.649 1.00 1.00 C ATOM 668 O ILE A 242 16.715 2.466 -0.305 1.00 1.00 O ATOM 669 CB ILE A 242 15.279 3.518 1.791 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.404 4.308 2.767 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.751 3.841 2.051 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.285 3.407 3.295 1.00 1.00 C ATOM 0 H ILE A 242 13.182 2.693 0.593 1.00 1.00 H new ATOM 0 HA ILE A 242 15.136 4.955 0.155 1.00 1.00 H new ATOM 0 HB ILE A 242 15.112 2.450 1.932 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.008 4.679 3.595 1.00 1.00 H new ATOM 0 HG13 ILE A 242 13.979 5.179 2.268 1.00 1.00 H new ATOM 0 HG21 ILE A 242 17.009 3.564 3.073 1.00 1.00 H new ATOM 0 HG22 ILE A 242 17.375 3.281 1.354 1.00 1.00 H new ATOM 0 HG23 ILE A 242 16.919 4.909 1.911 1.00 1.00 H new ATOM 0 HD11 ILE A 242 12.662 3.970 3.990 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.675 3.058 2.462 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.720 2.550 3.810 1.00 1.00 H new ATOM 684 N ARG A 243 15.322 3.077 -1.889 1.00 1.00 N ATOM 685 CA ARG A 243 16.073 2.298 -2.914 1.00 1.00 C ATOM 686 C ARG A 243 17.265 3.110 -3.428 1.00 1.00 C ATOM 687 O ARG A 243 18.213 2.502 -3.898 1.00 1.00 O ATOM 688 CB ARG A 243 15.072 2.049 -4.038 1.00 1.00 C ATOM 689 CG ARG A 243 14.952 0.546 -4.293 1.00 1.00 C ATOM 690 CD ARG A 243 15.199 0.258 -5.776 1.00 1.00 C ATOM 691 NE ARG A 243 14.125 -0.698 -6.165 1.00 1.00 N ATOM 692 CZ ARG A 243 14.369 -1.629 -7.047 1.00 1.00 C ATOM 693 NH1 ARG A 243 14.759 -1.304 -8.248 1.00 1.00 N ATOM 694 NH2 ARG A 243 14.223 -2.885 -6.725 1.00 1.00 N ATOM 695 OXT ARG A 243 17.210 4.325 -3.344 1.00 0.00 O ATOM 0 H ARG A 243 14.503 3.575 -2.237 1.00 1.00 H new ATOM 0 HA ARG A 243 16.472 1.367 -2.511 1.00 1.00 H new ATOM 0 HB2 ARG A 243 14.099 2.462 -3.771 1.00 1.00 H new ATOM 0 HB3 ARG A 243 15.395 2.558 -4.946 1.00 1.00 H new ATOM 0 HG2 ARG A 243 15.673 0.004 -3.681 1.00 1.00 H new ATOM 0 HG3 ARG A 243 13.961 0.195 -4.004 1.00 1.00 H new ATOM 0 HD2 ARG A 243 15.149 1.171 -6.369 1.00 1.00 H new ATOM 0 HD3 ARG A 243 16.188 -0.172 -5.936 1.00 1.00 H new ATOM 0 HE ARG A 243 13.199 -0.625 -5.742 1.00 1.00 H new ATOM 0 HH11 ARG A 243 14.874 -0.322 -8.499 1.00 1.00 H new ATOM 0 HH12 ARG A 243 14.950 -2.032 -8.937 1.00 1.00 H new ATOM 0 HH21 ARG A 243 13.919 -3.138 -5.785 1.00 1.00 H new ATOM 0 HH22 ARG A 243 14.413 -3.613 -7.413 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.856 -2.100 1.683 1.00 1.00 ZN