USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 393 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 Single : A 6 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.392 (180deg=-1.45!) USER MOD Single : A 9 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.4!) USER MOD Single : A 11 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.012) USER MOD Single : A 13 THR OG1 : rot -118:sc= 0.243 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= -0.24 (180deg=-1.25!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -3.57! K(o=-3.6!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -0.192 (180deg=-0.884) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -8.190 9.887 -0.301 1.00 0.00 N ATOM 66 CA CYS A 5 -7.532 10.053 1.028 1.00 0.00 C ATOM 67 C CYS A 5 -6.841 11.422 1.101 1.00 0.00 C ATOM 68 O CYS A 5 -6.924 12.205 0.175 1.00 0.00 O ATOM 69 CB CYS A 5 -6.505 8.940 1.220 1.00 0.00 C ATOM 70 SG CYS A 5 -7.070 7.241 0.943 1.00 0.00 S ATOM 0 HA CYS A 5 -8.282 9.996 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.668 9.132 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.119 9.007 2.237 1.00 0.00 H new ATOM 75 N THR A 6 -6.175 11.676 2.200 1.00 0.00 N ATOM 76 CA THR A 6 -5.486 12.995 2.362 1.00 0.00 C ATOM 77 C THR A 6 -3.962 12.833 2.308 1.00 0.00 C ATOM 78 O THR A 6 -3.272 13.648 1.730 1.00 0.00 O ATOM 79 CB THR A 6 -5.880 13.588 3.716 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.121 12.458 4.548 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.214 14.326 3.640 1.00 0.00 C ATOM 0 H THR A 6 -6.078 11.034 2.986 1.00 0.00 H new ATOM 0 HA THR A 6 -5.789 13.653 1.548 1.00 0.00 H new ATOM 0 HB THR A 6 -5.107 14.275 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.380 12.760 5.444 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.461 14.733 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.140 15.139 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.996 13.633 3.328 1.00 0.00 H new ATOM 89 N LYS A 7 -3.470 11.786 2.909 1.00 0.00 N ATOM 90 CA LYS A 7 -1.991 11.577 2.914 1.00 0.00 C ATOM 91 C LYS A 7 -1.537 10.856 1.614 1.00 0.00 C ATOM 92 O LYS A 7 -2.297 10.105 1.035 1.00 0.00 O ATOM 93 CB LYS A 7 -1.630 10.715 4.124 1.00 0.00 C ATOM 94 CG LYS A 7 -1.677 11.577 5.388 1.00 0.00 C ATOM 95 CD LYS A 7 -3.096 12.125 5.572 1.00 0.00 C ATOM 96 CE LYS A 7 -3.315 12.463 7.048 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.024 12.826 7.697 1.00 0.00 N ATOM 0 H LYS A 7 -4.017 11.073 3.392 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.488 12.543 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.326 9.881 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.635 10.288 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.387 10.986 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.965 12.398 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.238 13.014 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.829 11.389 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.019 13.290 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.759 11.610 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.212 13.366 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.499 11.960 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.459 13.406 7.045 1.00 0.00 H new ATOM 111 N PRO A 8 -0.295 11.100 1.175 1.00 0.00 N ATOM 112 CA PRO A 8 0.230 10.446 -0.038 1.00 0.00 C ATOM 113 C PRO A 8 0.246 8.923 0.140 1.00 0.00 C ATOM 114 O PRO A 8 0.018 8.427 1.224 1.00 0.00 O ATOM 115 CB PRO A 8 1.659 10.974 -0.198 1.00 0.00 C ATOM 116 CG PRO A 8 1.963 11.879 1.034 1.00 0.00 C ATOM 117 CD PRO A 8 0.653 12.026 1.828 1.00 0.00 C ATOM 0 HA PRO A 8 -0.385 10.661 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.369 10.149 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.757 11.541 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.741 11.434 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.330 12.854 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.796 11.769 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.286 13.052 1.798 1.00 0.00 H new ATOM 125 N ASN A 9 0.526 8.216 -0.926 1.00 0.00 N ATOM 126 CA ASN A 9 0.555 6.719 -0.836 1.00 0.00 C ATOM 127 C ASN A 9 -0.802 6.198 -0.348 1.00 0.00 C ATOM 128 O ASN A 9 -1.597 5.718 -1.132 1.00 0.00 O ATOM 129 CB ASN A 9 1.661 6.285 0.132 1.00 0.00 C ATOM 130 CG ASN A 9 2.951 7.048 -0.184 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.676 6.715 -1.101 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.276 8.073 0.555 1.00 0.00 N ATOM 0 H ASN A 9 0.734 8.603 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 9 0.758 6.303 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.355 6.479 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.832 5.212 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.134 8.590 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.672 8.358 1.326 1.00 0.00 H new ATOM 139 N GLU A 10 -1.038 6.299 0.934 1.00 0.00 N ATOM 140 CA GLU A 10 -2.342 5.826 1.471 1.00 0.00 C ATOM 141 C GLU A 10 -3.472 6.340 0.579 1.00 0.00 C ATOM 142 O GLU A 10 -3.917 7.462 0.721 1.00 0.00 O ATOM 143 CB GLU A 10 -2.524 6.363 2.888 1.00 0.00 C ATOM 144 CG GLU A 10 -1.523 5.675 3.818 1.00 0.00 C ATOM 145 CD GLU A 10 -1.979 4.238 4.076 1.00 0.00 C ATOM 146 OE1 GLU A 10 -3.062 4.104 4.620 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.218 3.354 3.716 1.00 0.00 O ATOM 0 H GLU A 10 -0.391 6.684 1.623 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.362 4.736 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.371 7.442 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.542 6.181 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.530 5.679 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.449 6.220 4.759 1.00 0.00 H new ATOM 154 N GLN A 11 -3.908 5.500 -0.322 1.00 0.00 N ATOM 155 CA GLN A 11 -4.998 5.908 -1.256 1.00 0.00 C ATOM 156 C GLN A 11 -6.184 4.973 -1.101 1.00 0.00 C ATOM 157 O GLN A 11 -6.077 3.924 -0.498 1.00 0.00 O ATOM 158 CB GLN A 11 -4.485 5.825 -2.690 1.00 0.00 C ATOM 159 CG GLN A 11 -5.194 6.883 -3.537 1.00 0.00 C ATOM 160 CD GLN A 11 -4.749 6.747 -4.994 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.038 7.585 -5.825 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.043 5.707 -5.346 1.00 0.00 N ATOM 0 H GLN A 11 -3.557 4.551 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.307 6.928 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.407 5.985 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.669 4.831 -3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.275 6.761 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.959 7.880 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.797 5.000 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.738 5.602 -6.313 1.00 0.00 H new ATOM 171 N TRP A 12 -7.292 5.362 -1.647 1.00 0.00 N ATOM 172 CA TRP A 12 -8.485 4.494 -1.535 1.00 0.00 C ATOM 173 C TRP A 12 -8.271 3.208 -2.306 1.00 0.00 C ATOM 174 O TRP A 12 -7.810 3.225 -3.431 1.00 0.00 O ATOM 175 CB TRP A 12 -9.691 5.202 -2.123 1.00 0.00 C ATOM 176 CG TRP A 12 -10.867 4.217 -2.159 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.239 3.520 -3.230 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.668 3.981 -1.147 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.328 2.850 -2.807 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.666 3.094 -1.499 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.608 4.475 0.137 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.608 2.713 -0.574 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.550 4.090 1.069 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.551 3.209 0.713 1.00 0.00 C ATOM 0 H TRP A 12 -7.424 6.233 -2.161 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.650 4.272 -0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.947 6.075 -1.523 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.467 5.560 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.777 3.497 -4.206 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.856 2.216 -3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.824 5.164 0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.393 2.026 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.504 4.478 2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.290 2.908 1.441 1.00 0.00 H new ATOM 195 N THR A 13 -8.604 2.117 -1.687 1.00 0.00 N ATOM 196 CA THR A 13 -8.458 0.822 -2.385 1.00 0.00 C ATOM 197 C THR A 13 -9.628 -0.089 -2.017 1.00 0.00 C ATOM 198 O THR A 13 -9.819 -0.433 -0.864 1.00 0.00 O ATOM 199 CB THR A 13 -7.131 0.168 -1.988 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.001 -0.950 -2.860 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.194 -0.422 -0.588 1.00 0.00 C ATOM 0 H THR A 13 -8.968 2.067 -0.735 1.00 0.00 H new ATOM 0 HA THR A 13 -8.460 0.985 -3.463 1.00 0.00 H new ATOM 0 HB THR A 13 -6.327 0.903 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.989 -1.776 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.235 -0.877 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.416 0.368 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.976 -1.180 -0.547 1.00 0.00 H new ATOM 209 N LYS A 14 -10.397 -0.444 -3.006 1.00 0.00 N ATOM 210 CA LYS A 14 -11.565 -1.321 -2.741 1.00 0.00 C ATOM 211 C LYS A 14 -11.101 -2.663 -2.160 1.00 0.00 C ATOM 212 O LYS A 14 -11.889 -3.411 -1.617 1.00 0.00 O ATOM 213 CB LYS A 14 -12.318 -1.550 -4.048 1.00 0.00 C ATOM 214 CG LYS A 14 -12.580 -0.197 -4.711 1.00 0.00 C ATOM 215 CD LYS A 14 -14.015 -0.163 -5.245 1.00 0.00 C ATOM 216 CE LYS A 14 -14.984 0.051 -4.079 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.179 -0.825 -4.227 1.00 0.00 N ATOM 0 H LYS A 14 -10.268 -0.167 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.223 -0.842 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.736 -2.189 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.260 -2.064 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.428 0.608 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.873 -0.035 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.124 0.638 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.246 -1.096 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.481 -0.166 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.294 1.095 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.826 -0.667 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.667 -0.599 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.880 -1.821 -4.239 1.00 0.00 H new ATOM 231 N CYS A 15 -9.824 -2.934 -2.291 1.00 0.00 N ATOM 232 CA CYS A 15 -9.277 -4.214 -1.745 1.00 0.00 C ATOM 233 C CYS A 15 -7.959 -3.951 -1.005 1.00 0.00 C ATOM 234 O CYS A 15 -6.923 -3.785 -1.618 1.00 0.00 O ATOM 235 CB CYS A 15 -9.018 -5.183 -2.898 1.00 0.00 C ATOM 236 SG CYS A 15 -7.591 -6.291 -2.740 1.00 0.00 S ATOM 0 H CYS A 15 -9.143 -2.329 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.999 -4.643 -1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.909 -5.796 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.893 -4.599 -3.810 1.00 0.00 H new ATOM 241 N GLY A 16 -8.028 -3.918 0.299 1.00 0.00 N ATOM 242 CA GLY A 16 -6.790 -3.668 1.092 1.00 0.00 C ATOM 243 C GLY A 16 -6.063 -4.986 1.378 1.00 0.00 C ATOM 244 O GLY A 16 -6.054 -5.880 0.554 1.00 0.00 O ATOM 0 H GLY A 16 -8.879 -4.052 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.131 -2.993 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.045 -3.175 2.030 1.00 0.00 H new ATOM 248 N GLY A 17 -5.469 -5.072 2.544 1.00 0.00 N ATOM 249 CA GLY A 17 -4.736 -6.321 2.916 1.00 0.00 C ATOM 250 C GLY A 17 -3.231 -6.054 2.981 1.00 0.00 C ATOM 251 O GLY A 17 -2.803 -5.003 3.415 1.00 0.00 O ATOM 0 H GLY A 17 -5.460 -4.336 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.090 -6.685 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.942 -7.103 2.185 1.00 0.00 H new ATOM 255 N CYS A 18 -2.460 -7.014 2.552 1.00 0.00 N ATOM 256 CA CYS A 18 -0.982 -6.830 2.581 1.00 0.00 C ATOM 257 C CYS A 18 -0.522 -6.090 1.322 1.00 0.00 C ATOM 258 O CYS A 18 -1.326 -5.740 0.481 1.00 0.00 O ATOM 259 CB CYS A 18 -0.308 -8.201 2.643 1.00 0.00 C ATOM 260 SG CYS A 18 -1.210 -9.536 3.467 1.00 0.00 S ATOM 0 H CYS A 18 -2.785 -7.909 2.186 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.708 -6.243 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.095 -8.518 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.652 -8.082 3.146 1.00 0.00 H new ATOM 265 N GLU A 19 0.760 -5.870 1.221 1.00 0.00 N ATOM 266 CA GLU A 19 1.290 -5.154 0.023 1.00 0.00 C ATOM 267 C GLU A 19 2.613 -5.782 -0.423 1.00 0.00 C ATOM 268 O GLU A 19 2.882 -6.932 -0.134 1.00 0.00 O ATOM 269 CB GLU A 19 1.518 -3.685 0.376 1.00 0.00 C ATOM 270 CG GLU A 19 1.163 -2.818 -0.836 1.00 0.00 C ATOM 271 CD GLU A 19 -0.356 -2.776 -1.001 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.001 -3.520 -0.281 1.00 0.00 O ATOM 273 OE2 GLU A 19 -0.786 -2.001 -1.841 1.00 0.00 O ATOM 0 H GLU A 19 1.459 -6.151 1.908 1.00 0.00 H new ATOM 0 HA GLU A 19 0.569 -5.232 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.904 -3.404 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.557 -3.524 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.554 -1.809 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.627 -3.223 -1.735 1.00 0.00 H new ATOM 280 N GLY A 20 3.407 -5.007 -1.119 1.00 0.00 N ATOM 281 CA GLY A 20 4.721 -5.528 -1.600 1.00 0.00 C ATOM 282 C GLY A 20 5.867 -4.849 -0.857 1.00 0.00 C ATOM 283 O GLY A 20 5.669 -4.222 0.166 1.00 0.00 O ATOM 0 H GLY A 20 3.203 -4.041 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.769 -6.606 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.819 -5.352 -2.671 1.00 0.00 H new ATOM 287 N THR A 21 7.046 -4.983 -1.393 1.00 0.00 N ATOM 288 CA THR A 21 8.226 -4.353 -0.735 1.00 0.00 C ATOM 289 C THR A 21 9.216 -3.873 -1.796 1.00 0.00 C ATOM 290 O THR A 21 8.919 -3.885 -2.974 1.00 0.00 O ATOM 291 CB THR A 21 8.903 -5.381 0.174 1.00 0.00 C ATOM 292 OG1 THR A 21 9.365 -6.399 -0.708 1.00 0.00 O ATOM 293 CG2 THR A 21 7.893 -6.068 1.090 1.00 0.00 C ATOM 0 H THR A 21 7.245 -5.497 -2.251 1.00 0.00 H new ATOM 0 HA THR A 21 7.899 -3.499 -0.142 1.00 0.00 H new ATOM 0 HB THR A 21 9.670 -4.896 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.816 -7.099 -0.192 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.408 -6.792 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.404 -5.322 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.145 -6.581 0.486 1.00 0.00 H new ATOM 301 N CYS A 22 10.372 -3.463 -1.360 1.00 0.00 N ATOM 302 CA CYS A 22 11.381 -2.981 -2.340 1.00 0.00 C ATOM 303 C CYS A 22 12.027 -4.175 -3.039 1.00 0.00 C ATOM 304 O CYS A 22 12.943 -4.024 -3.823 1.00 0.00 O ATOM 305 CB CYS A 22 12.449 -2.172 -1.609 1.00 0.00 C ATOM 306 SG CYS A 22 13.479 -1.069 -2.605 1.00 0.00 S ATOM 0 H CYS A 22 10.660 -3.440 -0.382 1.00 0.00 H new ATOM 0 HA CYS A 22 10.895 -2.351 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.954 -1.573 -0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.106 -2.871 -1.091 1.00 0.00 H new ATOM 311 N ALA A 23 11.529 -5.344 -2.734 1.00 0.00 N ATOM 312 CA ALA A 23 12.092 -6.574 -3.362 1.00 0.00 C ATOM 313 C ALA A 23 10.966 -7.561 -3.706 1.00 0.00 C ATOM 314 O ALA A 23 11.216 -8.635 -4.217 1.00 0.00 O ATOM 315 CB ALA A 23 13.061 -7.227 -2.380 1.00 0.00 C ATOM 0 H ALA A 23 10.761 -5.500 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 23 12.612 -6.305 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.480 -8.128 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.866 -6.530 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.530 -7.489 -1.465 1.00 0.00 H new ATOM 321 N GLN A 24 9.750 -7.176 -3.419 1.00 0.00 N ATOM 322 CA GLN A 24 8.601 -8.083 -3.724 1.00 0.00 C ATOM 323 C GLN A 24 7.339 -7.257 -3.998 1.00 0.00 C ATOM 324 O GLN A 24 6.571 -6.976 -3.100 1.00 0.00 O ATOM 325 CB GLN A 24 8.355 -9.006 -2.529 1.00 0.00 C ATOM 326 CG GLN A 24 9.473 -10.052 -2.450 1.00 0.00 C ATOM 327 CD GLN A 24 9.100 -11.109 -1.409 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.293 -10.924 -0.223 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.562 -12.228 -1.808 1.00 0.00 N ATOM 0 H GLN A 24 9.503 -6.283 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 24 8.837 -8.677 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.321 -8.424 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.388 -9.499 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.620 -10.519 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.415 -9.575 -2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.398 -12.389 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.306 -12.942 -1.126 1.00 0.00 H new ATOM 338 N LYS A 25 7.156 -6.891 -5.235 1.00 0.00 N ATOM 339 CA LYS A 25 5.954 -6.082 -5.592 1.00 0.00 C ATOM 340 C LYS A 25 4.696 -6.670 -4.940 1.00 0.00 C ATOM 341 O LYS A 25 3.760 -5.954 -4.645 1.00 0.00 O ATOM 342 CB LYS A 25 5.784 -6.082 -7.109 1.00 0.00 C ATOM 343 CG LYS A 25 4.780 -4.996 -7.498 1.00 0.00 C ATOM 344 CD LYS A 25 5.530 -3.782 -8.051 1.00 0.00 C ATOM 345 CE LYS A 25 5.959 -4.068 -9.492 1.00 0.00 C ATOM 346 NZ LYS A 25 7.322 -3.524 -9.749 1.00 0.00 N ATOM 0 H LYS A 25 7.780 -7.114 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 25 6.093 -5.063 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.742 -5.900 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.434 -7.057 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.085 -5.379 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.187 -4.706 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.892 -2.899 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.403 -3.568 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.950 -5.143 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.246 -3.621 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.597 -3.727 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.320 -2.495 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.002 -3.969 -9.100 1.00 0.00 H new ATOM 360 N ILE A 26 4.697 -7.965 -4.744 1.00 0.00 N ATOM 361 CA ILE A 26 3.509 -8.618 -4.110 1.00 0.00 C ATOM 362 C ILE A 26 3.959 -9.654 -3.074 1.00 0.00 C ATOM 363 O ILE A 26 4.788 -10.496 -3.357 1.00 0.00 O ATOM 364 CB ILE A 26 2.682 -9.307 -5.194 1.00 0.00 C ATOM 365 CG1 ILE A 26 1.980 -8.229 -6.039 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.633 -10.210 -4.528 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.279 -8.874 -7.241 1.00 0.00 C ATOM 0 H ILE A 26 5.461 -8.594 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 26 2.909 -7.859 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 26 3.325 -9.913 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.253 -7.694 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.708 -7.495 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.039 -10.705 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.134 -10.961 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.980 -9.606 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.786 -8.102 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.015 -9.389 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.537 -9.590 -6.888 1.00 0.00 H new ATOM 379 N VAL A 27 3.395 -9.566 -1.897 1.00 0.00 N ATOM 380 CA VAL A 27 3.769 -10.534 -0.820 1.00 0.00 C ATOM 381 C VAL A 27 2.632 -11.587 -0.649 1.00 0.00 C ATOM 382 O VAL A 27 1.474 -11.221 -0.604 1.00 0.00 O ATOM 383 CB VAL A 27 3.940 -9.754 0.488 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.560 -9.386 1.041 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.678 -10.621 1.512 1.00 0.00 C ATOM 0 H VAL A 27 2.696 -8.871 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 27 4.695 -11.047 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 27 4.516 -8.848 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.677 -8.831 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.030 -8.770 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.990 -10.295 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.798 -10.064 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.103 -11.527 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.659 -10.890 1.121 1.00 0.00 H new ATOM 395 N PRO A 28 2.968 -12.882 -0.560 1.00 0.00 N ATOM 396 CA PRO A 28 1.934 -13.915 -0.395 1.00 0.00 C ATOM 397 C PRO A 28 1.097 -13.652 0.862 1.00 0.00 C ATOM 398 O PRO A 28 1.609 -13.204 1.870 1.00 0.00 O ATOM 399 CB PRO A 28 2.694 -15.239 -0.263 1.00 0.00 C ATOM 400 CG PRO A 28 4.213 -14.916 -0.357 1.00 0.00 C ATOM 401 CD PRO A 28 4.350 -13.405 -0.611 1.00 0.00 C ATOM 0 HA PRO A 28 1.242 -13.925 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.462 -15.721 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.399 -15.931 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.722 -15.198 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.676 -15.484 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.979 -12.933 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.811 -13.208 -1.579 1.00 0.00 H new ATOM 409 N CYS A 29 -0.173 -13.936 0.774 1.00 0.00 N ATOM 410 CA CYS A 29 -1.057 -13.710 1.955 1.00 0.00 C ATOM 411 C CYS A 29 -2.367 -14.489 1.793 1.00 0.00 C ATOM 412 O CYS A 29 -3.214 -14.125 1.003 1.00 0.00 O ATOM 413 CB CYS A 29 -1.361 -12.218 2.074 1.00 0.00 C ATOM 414 SG CYS A 29 -0.173 -11.202 2.987 1.00 0.00 S ATOM 0 H CYS A 29 -0.635 -14.311 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.550 -14.058 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.451 -11.810 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.335 -12.109 2.550 1.00 0.00 H new ATOM 419 N THR A 30 -2.501 -15.545 2.549 1.00 0.00 N ATOM 420 CA THR A 30 -3.747 -16.360 2.455 1.00 0.00 C ATOM 421 C THR A 30 -4.981 -15.451 2.453 1.00 0.00 C ATOM 422 O THR A 30 -6.052 -15.853 2.044 1.00 0.00 O ATOM 423 CB THR A 30 -3.814 -17.310 3.653 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.205 -16.486 4.748 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.431 -17.839 4.020 1.00 0.00 C ATOM 0 H THR A 30 -1.809 -15.877 3.221 1.00 0.00 H new ATOM 0 HA THR A 30 -3.732 -16.930 1.526 1.00 0.00 H new ATOM 0 HB THR A 30 -4.477 -18.146 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.272 -17.031 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.513 -18.511 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.012 -18.380 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.778 -17.004 4.276 1.00 0.00 H new ATOM 433 N ARG A 31 -4.804 -14.242 2.913 1.00 0.00 N ATOM 434 CA ARG A 31 -5.957 -13.295 2.943 1.00 0.00 C ATOM 435 C ARG A 31 -6.365 -12.917 1.515 1.00 0.00 C ATOM 436 O ARG A 31 -5.577 -13.012 0.595 1.00 0.00 O ATOM 437 CB ARG A 31 -5.551 -12.037 3.713 1.00 0.00 C ATOM 438 CG ARG A 31 -5.265 -12.408 5.173 1.00 0.00 C ATOM 439 CD ARG A 31 -3.804 -12.084 5.503 1.00 0.00 C ATOM 440 NE ARG A 31 -3.615 -10.606 5.467 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.086 -10.002 6.497 1.00 0.00 C ATOM 442 NH1 ARG A 31 -1.957 -10.447 6.980 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.705 -8.975 7.012 1.00 0.00 N ATOM 0 H ARG A 31 -3.922 -13.871 3.266 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.804 -13.772 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.667 -11.588 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.347 -11.294 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.930 -11.856 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.460 -13.468 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.545 -12.473 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.140 -12.566 4.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.896 -10.071 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.503 -11.254 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.530 -9.987 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.587 -8.657 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.307 -8.491 7.817 1.00 0.00 H new ATOM 457 N GLU A 32 -7.591 -12.495 1.360 1.00 0.00 N ATOM 458 CA GLU A 32 -8.070 -12.109 0.000 1.00 0.00 C ATOM 459 C GLU A 32 -7.951 -10.596 -0.202 1.00 0.00 C ATOM 460 O GLU A 32 -7.117 -10.130 -0.952 1.00 0.00 O ATOM 461 CB GLU A 32 -9.532 -12.524 -0.153 1.00 0.00 C ATOM 462 CG GLU A 32 -9.613 -14.046 -0.296 1.00 0.00 C ATOM 463 CD GLU A 32 -9.083 -14.453 -1.673 1.00 0.00 C ATOM 464 OE1 GLU A 32 -9.895 -14.465 -2.584 1.00 0.00 O ATOM 465 OE2 GLU A 32 -7.896 -14.730 -1.737 1.00 0.00 O ATOM 0 H GLU A 32 -8.277 -12.401 2.109 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.456 -12.612 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.107 -12.197 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.970 -12.041 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.029 -14.528 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.644 -14.380 -0.177 1.00 0.00 H new ATOM 472 N CYS A 33 -8.792 -9.864 0.473 1.00 0.00 N ATOM 473 CA CYS A 33 -8.750 -8.378 0.328 1.00 0.00 C ATOM 474 C CYS A 33 -9.520 -7.708 1.473 1.00 0.00 C ATOM 475 O CYS A 33 -10.691 -7.967 1.666 1.00 0.00 O ATOM 476 CB CYS A 33 -9.399 -7.990 -1.002 1.00 0.00 C ATOM 477 SG CYS A 33 -8.398 -8.129 -2.503 1.00 0.00 S ATOM 0 H CYS A 33 -9.501 -10.223 1.113 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.712 -8.047 0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.287 -8.608 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.738 -6.957 -0.920 1.00 0.00 H new ATOM 482 N LYS A 34 -8.847 -6.865 2.210 1.00 0.00 N ATOM 483 CA LYS A 34 -9.544 -6.168 3.334 1.00 0.00 C ATOM 484 C LYS A 34 -10.682 -5.301 2.756 1.00 0.00 C ATOM 485 O LYS A 34 -10.652 -4.945 1.595 1.00 0.00 O ATOM 486 CB LYS A 34 -8.537 -5.275 4.062 1.00 0.00 C ATOM 487 CG LYS A 34 -8.040 -5.988 5.324 1.00 0.00 C ATOM 488 CD LYS A 34 -7.051 -5.077 6.059 1.00 0.00 C ATOM 489 CE LYS A 34 -7.742 -4.462 7.278 1.00 0.00 C ATOM 490 NZ LYS A 34 -8.215 -5.529 8.205 1.00 0.00 N ATOM 0 H LYS A 34 -7.862 -6.630 2.088 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.959 -6.896 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.697 -5.046 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.002 -4.326 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.881 -6.232 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.558 -6.929 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.176 -5.647 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.697 -4.291 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.051 -3.800 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.586 -3.852 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.140 -5.194 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.207 -5.759 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.629 -6.379 8.084 1.00 0.00 H new ATOM 504 N PRO A 35 -11.671 -4.969 3.574 1.00 0.00 N ATOM 505 CA PRO A 35 -12.790 -4.145 3.104 1.00 0.00 C ATOM 506 C PRO A 35 -12.268 -2.818 2.508 1.00 0.00 C ATOM 507 O PRO A 35 -11.125 -2.454 2.707 1.00 0.00 O ATOM 508 CB PRO A 35 -13.648 -3.882 4.348 1.00 0.00 C ATOM 509 CG PRO A 35 -12.981 -4.633 5.542 1.00 0.00 C ATOM 510 CD PRO A 35 -11.748 -5.371 4.992 1.00 0.00 C ATOM 0 HA PRO A 35 -13.361 -4.639 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.709 -2.813 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.667 -4.236 4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.691 -3.930 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.681 -5.338 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.844 -5.090 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.856 -6.451 5.092 1.00 0.00 H new ATOM 518 N PRO A 36 -13.126 -2.120 1.783 1.00 0.00 N ATOM 519 CA PRO A 36 -12.755 -0.838 1.162 1.00 0.00 C ATOM 520 C PRO A 36 -12.267 0.169 2.212 1.00 0.00 C ATOM 521 O PRO A 36 -12.962 0.453 3.168 1.00 0.00 O ATOM 522 CB PRO A 36 -14.041 -0.323 0.510 1.00 0.00 C ATOM 523 CG PRO A 36 -15.154 -1.379 0.765 1.00 0.00 C ATOM 524 CD PRO A 36 -14.514 -2.547 1.532 1.00 0.00 C ATOM 0 HA PRO A 36 -11.942 -0.966 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.324 0.641 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.894 -0.172 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.971 -0.944 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.577 -1.725 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.042 -2.743 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.545 -3.467 0.948 1.00 0.00 H new ATOM 532 N ARG A 37 -11.086 0.695 2.004 1.00 0.00 N ATOM 533 CA ARG A 37 -10.545 1.693 2.981 1.00 0.00 C ATOM 534 C ARG A 37 -9.233 2.295 2.461 1.00 0.00 C ATOM 535 O ARG A 37 -8.623 1.769 1.556 1.00 0.00 O ATOM 536 CB ARG A 37 -10.280 0.991 4.320 1.00 0.00 C ATOM 537 CG ARG A 37 -9.755 2.011 5.337 1.00 0.00 C ATOM 538 CD ARG A 37 -10.155 1.562 6.744 1.00 0.00 C ATOM 539 NE ARG A 37 -9.352 2.319 7.746 1.00 0.00 N ATOM 540 CZ ARG A 37 -9.133 3.594 7.564 1.00 0.00 C ATOM 541 NH1 ARG A 37 -10.124 4.361 7.197 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.929 4.059 7.758 1.00 0.00 N ATOM 0 H ARG A 37 -10.479 0.482 1.212 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.274 2.493 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.197 0.532 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.554 0.189 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.671 2.094 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.165 2.999 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.219 1.736 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.986 0.491 6.859 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.976 1.845 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.052 3.963 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.970 5.359 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.180 3.430 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.737 5.051 7.621 1.00 0.00 H new ATOM 556 N CYS A 38 -8.837 3.399 3.036 1.00 0.00 N ATOM 557 CA CYS A 38 -7.554 4.035 2.598 1.00 0.00 C ATOM 558 C CYS A 38 -6.377 3.122 2.957 1.00 0.00 C ATOM 559 O CYS A 38 -6.300 2.619 4.060 1.00 0.00 O ATOM 560 CB CYS A 38 -7.394 5.381 3.308 1.00 0.00 C ATOM 561 SG CYS A 38 -8.205 6.816 2.560 1.00 0.00 S ATOM 0 H CYS A 38 -9.337 3.885 3.781 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.571 4.188 1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.771 5.273 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.328 5.598 3.384 1.00 0.00 H new ATOM 566 N GLU A 39 -5.479 2.923 2.023 1.00 0.00 N ATOM 567 CA GLU A 39 -4.313 2.032 2.325 1.00 0.00 C ATOM 568 C GLU A 39 -3.259 2.095 1.210 1.00 0.00 C ATOM 569 O GLU A 39 -3.323 2.933 0.332 1.00 0.00 O ATOM 570 CB GLU A 39 -4.811 0.594 2.464 1.00 0.00 C ATOM 571 CG GLU A 39 -4.232 -0.016 3.743 1.00 0.00 C ATOM 572 CD GLU A 39 -4.649 -1.485 3.837 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.570 -2.137 2.808 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.022 -1.872 4.931 1.00 0.00 O ATOM 0 H GLU A 39 -5.499 3.327 1.087 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.850 2.370 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.900 0.575 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.509 0.006 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.145 0.066 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.589 0.532 4.615 1.00 0.00 H new ATOM 581 N CYS A 40 -2.310 1.196 1.278 1.00 0.00 N ATOM 582 CA CYS A 40 -1.230 1.171 0.245 1.00 0.00 C ATOM 583 C CYS A 40 -1.740 0.528 -1.050 1.00 0.00 C ATOM 584 O CYS A 40 -2.771 -0.117 -1.060 1.00 0.00 O ATOM 585 CB CYS A 40 -0.052 0.360 0.784 1.00 0.00 C ATOM 586 SG CYS A 40 1.598 0.772 0.163 1.00 0.00 S ATOM 0 H CYS A 40 -2.236 0.481 2.001 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.919 2.193 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.039 0.465 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.240 -0.692 0.568 1.00 0.00 H new ATOM 591 N ILE A 41 -1.000 0.718 -2.115 1.00 0.00 N ATOM 592 CA ILE A 41 -1.419 0.131 -3.427 1.00 0.00 C ATOM 593 C ILE A 41 -0.204 -0.474 -4.146 1.00 0.00 C ATOM 594 O ILE A 41 0.641 0.241 -4.646 1.00 0.00 O ATOM 595 CB ILE A 41 -2.024 1.234 -4.303 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.129 1.954 -3.524 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.619 0.606 -5.564 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.546 3.205 -2.854 1.00 0.00 C ATOM 0 H ILE A 41 -0.130 1.250 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.156 -0.652 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.249 1.949 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.941 2.232 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.552 1.288 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.051 1.387 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.835 0.089 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.396 -0.106 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.330 3.719 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.749 2.913 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.144 3.872 -3.616 1.00 0.00 H new ATOM 610 N ALA A 42 -0.146 -1.777 -4.186 1.00 0.00 N ATOM 611 CA ALA A 42 1.007 -2.439 -4.867 1.00 0.00 C ATOM 612 C ALA A 42 0.852 -2.346 -6.390 1.00 0.00 C ATOM 613 O ALA A 42 1.814 -2.146 -7.103 1.00 0.00 O ATOM 614 CB ALA A 42 1.059 -3.909 -4.452 1.00 0.00 C ATOM 0 H ALA A 42 -0.838 -2.408 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 42 1.929 -1.936 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.899 -4.397 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.184 -3.978 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.131 -4.402 -4.742 1.00 0.00 H new ATOM 620 N SER A 43 -0.358 -2.491 -6.852 1.00 0.00 N ATOM 621 CA SER A 43 -0.594 -2.424 -8.325 1.00 0.00 C ATOM 622 C SER A 43 -0.095 -1.088 -8.885 1.00 0.00 C ATOM 623 O SER A 43 0.006 -0.917 -10.084 1.00 0.00 O ATOM 624 CB SER A 43 -2.088 -2.566 -8.602 1.00 0.00 C ATOM 625 OG SER A 43 -2.352 -3.944 -8.392 1.00 0.00 O ATOM 0 H SER A 43 -1.188 -2.652 -6.282 1.00 0.00 H new ATOM 0 HA SER A 43 -0.048 -3.233 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.678 -1.941 -7.932 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.335 -2.264 -9.620 1.00 0.00 H new ATOM 0 HG SER A 43 -3.303 -4.123 -8.550 1.00 0.00 H new ATOM 631 N ALA A 44 0.205 -0.169 -8.008 1.00 0.00 N ATOM 632 CA ALA A 44 0.695 1.161 -8.479 1.00 0.00 C ATOM 633 C ALA A 44 2.223 1.212 -8.422 1.00 0.00 C ATOM 634 O ALA A 44 2.862 1.708 -9.331 1.00 0.00 O ATOM 635 CB ALA A 44 0.118 2.250 -7.581 1.00 0.00 C ATOM 0 H ALA A 44 0.134 -0.278 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 44 0.375 1.317 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.471 3.225 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.971 2.222 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.441 2.083 -6.553 1.00 0.00 H new ATOM 641 N GLY A 45 2.774 0.695 -7.354 1.00 0.00 N ATOM 642 CA GLY A 45 4.262 0.703 -7.211 1.00 0.00 C ATOM 643 C GLY A 45 4.669 1.150 -5.803 1.00 0.00 C ATOM 644 O GLY A 45 5.825 1.436 -5.552 1.00 0.00 O ATOM 0 H GLY A 45 2.263 0.271 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.657 -0.293 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.700 1.373 -7.951 1.00 0.00 H new ATOM 648 N PHE A 46 3.715 1.205 -4.913 1.00 0.00 N ATOM 649 CA PHE A 46 4.041 1.629 -3.519 1.00 0.00 C ATOM 650 C PHE A 46 4.587 0.435 -2.726 1.00 0.00 C ATOM 651 O PHE A 46 4.008 -0.634 -2.738 1.00 0.00 O ATOM 652 CB PHE A 46 2.773 2.155 -2.844 1.00 0.00 C ATOM 653 CG PHE A 46 2.355 3.476 -3.499 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.911 4.674 -3.082 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.413 3.492 -4.513 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.530 5.864 -3.671 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.036 4.685 -5.099 1.00 0.00 C ATOM 658 CZ PHE A 46 1.595 5.867 -4.677 1.00 0.00 C ATOM 0 H PHE A 46 2.736 0.978 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 46 4.796 2.414 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.970 1.423 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.951 2.305 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.647 4.678 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.970 2.566 -4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.968 6.794 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.301 4.688 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.299 6.799 -5.136 1.00 0.00 H new ATOM 668 N VAL A 47 5.693 0.648 -2.053 1.00 0.00 N ATOM 669 CA VAL A 47 6.310 -0.465 -1.255 1.00 0.00 C ATOM 670 C VAL A 47 6.316 -0.119 0.231 1.00 0.00 C ATOM 671 O VAL A 47 6.088 1.011 0.610 1.00 0.00 O ATOM 672 CB VAL A 47 7.748 -0.679 -1.719 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.741 -1.198 -3.151 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.504 0.649 -1.664 1.00 0.00 C ATOM 0 H VAL A 47 6.193 1.536 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 47 5.724 -1.371 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 47 8.238 -1.403 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.766 -1.352 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.199 -2.143 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.252 -0.471 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.531 0.497 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.016 1.373 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.505 1.025 -0.641 1.00 0.00 H new ATOM 684 N ARG A 48 6.584 -1.110 1.043 1.00 0.00 N ATOM 685 CA ARG A 48 6.619 -0.865 2.513 1.00 0.00 C ATOM 686 C ARG A 48 8.068 -0.724 2.989 1.00 0.00 C ATOM 687 O ARG A 48 8.860 -1.637 2.861 1.00 0.00 O ATOM 688 CB ARG A 48 5.960 -2.041 3.232 1.00 0.00 C ATOM 689 CG ARG A 48 4.450 -1.801 3.302 1.00 0.00 C ATOM 690 CD ARG A 48 3.748 -3.123 3.619 1.00 0.00 C ATOM 691 NE ARG A 48 4.199 -3.604 4.955 1.00 0.00 N ATOM 692 CZ ARG A 48 3.339 -3.673 5.935 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.659 -2.606 6.253 1.00 0.00 N ATOM 694 NH2 ARG A 48 3.188 -4.807 6.563 1.00 0.00 N ATOM 0 H ARG A 48 6.778 -2.069 0.754 1.00 0.00 H new ATOM 0 HA ARG A 48 6.081 0.056 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.169 -2.971 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.371 -2.146 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.222 -1.061 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.088 -1.401 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.667 -2.986 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.979 -3.865 2.854 1.00 0.00 H new ATOM 0 HE ARG A 48 5.171 -3.877 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.804 -1.737 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.983 -2.641 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.737 -5.621 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.521 -4.880 7.331 1.00 0.00 H new ATOM 708 N ASP A 49 8.384 0.421 3.526 1.00 0.00 N ATOM 709 CA ASP A 49 9.773 0.641 4.017 1.00 0.00 C ATOM 710 C ASP A 49 9.996 -0.134 5.312 1.00 0.00 C ATOM 711 O ASP A 49 9.069 -0.366 6.064 1.00 0.00 O ATOM 712 CB ASP A 49 9.984 2.128 4.275 1.00 0.00 C ATOM 713 CG ASP A 49 11.478 2.448 4.205 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.139 2.164 5.191 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.874 2.957 3.169 1.00 0.00 O ATOM 0 H ASP A 49 7.747 1.208 3.646 1.00 0.00 H new ATOM 0 HA ASP A 49 10.480 0.291 3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.440 2.717 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.588 2.398 5.254 1.00 0.00 H new ATOM 720 N ALA A 50 11.225 -0.507 5.546 1.00 0.00 N ATOM 721 CA ALA A 50 11.541 -1.278 6.780 1.00 0.00 C ATOM 722 C ALA A 50 10.835 -0.651 7.978 1.00 0.00 C ATOM 723 O ALA A 50 10.547 -1.316 8.954 1.00 0.00 O ATOM 724 CB ALA A 50 13.052 -1.260 7.010 1.00 0.00 C ATOM 0 H ALA A 50 12.020 -0.312 4.938 1.00 0.00 H new ATOM 0 HA ALA A 50 11.198 -2.306 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.289 -1.823 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.555 -1.714 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.390 -0.230 7.125 1.00 0.00 H new ATOM 730 N GLN A 51 10.572 0.619 7.876 1.00 0.00 N ATOM 731 CA GLN A 51 9.878 1.311 8.999 1.00 0.00 C ATOM 732 C GLN A 51 8.371 1.079 8.895 1.00 0.00 C ATOM 733 O GLN A 51 7.583 1.838 9.423 1.00 0.00 O ATOM 734 CB GLN A 51 10.172 2.809 8.923 1.00 0.00 C ATOM 735 CG GLN A 51 11.681 3.016 8.777 1.00 0.00 C ATOM 736 CD GLN A 51 12.005 4.504 8.935 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.101 5.236 7.970 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.181 4.989 10.134 1.00 0.00 N ATOM 0 H GLN A 51 10.804 1.205 7.074 1.00 0.00 H new ATOM 0 HA GLN A 51 10.236 0.914 9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.648 3.253 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.809 3.310 9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.214 2.434 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.016 2.661 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.102 4.379 10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.398 5.978 10.257 1.00 0.00 H new ATOM 747 N GLY A 52 8.001 0.028 8.214 1.00 0.00 N ATOM 748 CA GLY A 52 6.554 -0.268 8.056 1.00 0.00 C ATOM 749 C GLY A 52 5.833 0.959 7.506 1.00 0.00 C ATOM 750 O GLY A 52 4.722 1.255 7.898 1.00 0.00 O ATOM 0 H GLY A 52 8.635 -0.632 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.418 -1.114 7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.125 -0.553 9.016 1.00 0.00 H new ATOM 754 N ASN A 53 6.490 1.648 6.601 1.00 0.00 N ATOM 755 CA ASN A 53 5.866 2.880 6.007 1.00 0.00 C ATOM 756 C ASN A 53 5.637 2.701 4.503 1.00 0.00 C ATOM 757 O ASN A 53 6.566 2.491 3.751 1.00 0.00 O ATOM 758 CB ASN A 53 6.797 4.069 6.235 1.00 0.00 C ATOM 759 CG ASN A 53 6.581 4.615 7.647 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.793 5.514 7.864 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.264 4.103 8.634 1.00 0.00 N ATOM 0 H ASN A 53 7.419 1.416 6.250 1.00 0.00 H new ATOM 0 HA ASN A 53 4.903 3.054 6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.835 3.763 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.600 4.847 5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.135 4.458 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.927 3.348 8.458 1.00 0.00 H new ATOM 768 N CYS A 54 4.401 2.799 4.098 1.00 0.00 N ATOM 769 CA CYS A 54 4.091 2.641 2.645 1.00 0.00 C ATOM 770 C CYS A 54 4.557 3.880 1.872 1.00 0.00 C ATOM 771 O CYS A 54 4.037 4.962 2.059 1.00 0.00 O ATOM 772 CB CYS A 54 2.583 2.464 2.470 1.00 0.00 C ATOM 773 SG CYS A 54 1.910 2.661 0.802 1.00 0.00 S ATOM 0 H CYS A 54 3.598 2.980 4.701 1.00 0.00 H new ATOM 0 HA CYS A 54 4.612 1.766 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.317 1.468 2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.082 3.179 3.122 1.00 0.00 H new ATOM 778 N ILE A 55 5.530 3.689 1.018 1.00 0.00 N ATOM 779 CA ILE A 55 6.046 4.845 0.225 1.00 0.00 C ATOM 780 C ILE A 55 6.366 4.408 -1.209 1.00 0.00 C ATOM 781 O ILE A 55 6.642 3.253 -1.465 1.00 0.00 O ATOM 782 CB ILE A 55 7.320 5.376 0.889 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.357 4.248 0.968 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.989 5.858 2.304 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.599 4.754 1.706 1.00 0.00 C ATOM 0 H ILE A 55 5.985 2.794 0.837 1.00 0.00 H new ATOM 0 HA ILE A 55 5.285 5.625 0.193 1.00 0.00 H new ATOM 0 HB ILE A 55 7.721 6.204 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.936 3.387 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.626 3.915 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.893 6.237 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.245 6.653 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.592 5.027 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.338 3.955 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.022 5.602 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.322 5.066 2.713 1.00 0.00 H new ATOM 797 N LYS A 56 6.318 5.347 -2.114 1.00 0.00 N ATOM 798 CA LYS A 56 6.618 5.013 -3.539 1.00 0.00 C ATOM 799 C LYS A 56 7.880 4.146 -3.635 1.00 0.00 C ATOM 800 O LYS A 56 8.701 4.138 -2.738 1.00 0.00 O ATOM 801 CB LYS A 56 6.838 6.310 -4.319 1.00 0.00 C ATOM 802 CG LYS A 56 5.554 7.138 -4.296 1.00 0.00 C ATOM 803 CD LYS A 56 5.808 8.482 -4.982 1.00 0.00 C ATOM 804 CE LYS A 56 4.474 9.065 -5.457 1.00 0.00 C ATOM 805 NZ LYS A 56 3.877 8.206 -6.518 1.00 0.00 N ATOM 0 H LYS A 56 6.086 6.324 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 56 5.778 4.458 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.658 6.878 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.121 6.086 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.753 6.602 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.228 7.297 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.294 9.171 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.483 8.350 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.785 9.145 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.627 10.074 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.353 8.800 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.633 7.698 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.227 7.519 -6.084 1.00 0.00 H new ATOM 819 N PHE A 57 8.005 3.435 -4.725 1.00 0.00 N ATOM 820 CA PHE A 57 9.207 2.564 -4.907 1.00 0.00 C ATOM 821 C PHE A 57 10.480 3.417 -4.948 1.00 0.00 C ATOM 822 O PHE A 57 11.505 3.035 -4.420 1.00 0.00 O ATOM 823 CB PHE A 57 9.067 1.795 -6.220 1.00 0.00 C ATOM 824 CG PHE A 57 9.459 0.332 -6.004 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.751 0.000 -5.637 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.526 -0.678 -6.172 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.104 -1.320 -5.443 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.883 -1.997 -5.976 1.00 0.00 C ATOM 829 CZ PHE A 57 10.170 -2.317 -5.613 1.00 0.00 C ATOM 0 H PHE A 57 7.333 3.418 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 57 9.278 1.869 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.041 1.857 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.702 2.243 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.487 0.778 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.514 -0.432 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.115 -1.571 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.150 -2.779 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.448 -3.350 -5.461 1.00 0.00 H new ATOM 839 N GLU A 58 10.388 4.556 -5.581 1.00 0.00 N ATOM 840 CA GLU A 58 11.584 5.444 -5.673 1.00 0.00 C ATOM 841 C GLU A 58 12.078 5.823 -4.273 1.00 0.00 C ATOM 842 O GLU A 58 13.266 5.908 -4.033 1.00 0.00 O ATOM 843 CB GLU A 58 11.210 6.711 -6.441 1.00 0.00 C ATOM 844 CG GLU A 58 11.258 6.420 -7.942 1.00 0.00 C ATOM 845 CD GLU A 58 10.169 7.231 -8.649 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.483 8.350 -9.019 1.00 0.00 O ATOM 847 OE2 GLU A 58 9.086 6.685 -8.778 1.00 0.00 O ATOM 0 H GLU A 58 9.545 4.908 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 58 12.381 4.914 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.212 7.044 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.899 7.518 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.238 6.678 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.110 5.355 -8.123 1.00 0.00 H new ATOM 854 N ASP A 59 11.154 6.037 -3.376 1.00 0.00 N ATOM 855 CA ASP A 59 11.559 6.411 -1.989 1.00 0.00 C ATOM 856 C ASP A 59 12.056 5.172 -1.240 1.00 0.00 C ATOM 857 O ASP A 59 12.210 5.189 -0.034 1.00 0.00 O ATOM 858 CB ASP A 59 10.356 7.003 -1.255 1.00 0.00 C ATOM 859 CG ASP A 59 9.844 8.222 -2.023 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.594 8.053 -3.205 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.730 9.256 -1.384 1.00 0.00 O ATOM 0 H ASP A 59 10.149 5.971 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 59 12.362 7.147 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.566 6.257 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.639 7.290 -0.242 1.00 0.00 H new ATOM 866 N CYS A 60 12.297 4.123 -1.976 1.00 0.00 N ATOM 867 CA CYS A 60 12.785 2.869 -1.330 1.00 0.00 C ATOM 868 C CYS A 60 13.908 3.200 -0.319 1.00 0.00 C ATOM 869 O CYS A 60 14.515 4.249 -0.394 1.00 0.00 O ATOM 870 CB CYS A 60 13.333 1.943 -2.414 1.00 0.00 C ATOM 871 SG CYS A 60 12.304 0.543 -2.914 1.00 0.00 S ATOM 0 H CYS A 60 12.179 4.077 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 60 11.965 2.384 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.535 2.545 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.290 1.551 -2.069 1.00 0.00 H new