USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 432 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 18 TYR OH : rot 180:sc= 0.0177 USER MOD Set 1.2: A 53 THR OG1 : rot -119:sc= 1.69 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0.294 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.309 USER MOD Single : A 22 HIS : no HD1:sc= -1.07 K(o=-1.1,f=0.067) USER MOD Single : A 23 ASN : amide:sc= -8.62! C(o=-8.6!,f=-8.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 35 TYR OH : rot 90:sc= -0.669 USER MOD Single : A 36 THR OG1 : rot 60:sc= 0.116 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.491 K(o=-0.49,f=-4.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 45 N PRO A 5 3.774 6.238 8.171 1.00 10.00 N ATOM 46 CA PRO A 5 3.542 4.884 7.719 1.00 10.00 C ATOM 47 C PRO A 5 4.534 4.438 6.646 1.00 10.00 C ATOM 48 O PRO A 5 4.375 4.791 5.481 1.00 10.00 O ATOM 49 CB PRO A 5 2.118 4.960 7.164 1.00 10.00 C ATOM 50 CG PRO A 5 1.854 6.405 6.858 1.00 10.00 C ATOM 51 CD PRO A 5 3.043 7.198 7.341 1.00 10.00 C ATOM 0 HA PRO A 5 3.670 4.150 8.515 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.019 4.349 6.266 1.00 10.00 H new ATOM 0 HB3 PRO A 5 1.399 4.580 7.889 1.00 10.00 H new ATOM 0 HG2 PRO A 5 1.707 6.549 5.788 1.00 10.00 H new ATOM 0 HG3 PRO A 5 0.943 6.741 7.353 1.00 10.00 H new ATOM 0 HD2 PRO A 5 3.651 7.557 6.511 1.00 10.00 H new ATOM 0 HD3 PRO A 5 2.737 8.074 7.914 1.00 10.00 H new ATOM 59 N VAL A 6 5.531 3.639 7.084 1.00 10.00 N ATOM 60 CA VAL A 6 6.654 3.119 6.256 1.00 10.00 C ATOM 61 C VAL A 6 7.342 4.171 5.397 1.00 10.00 C ATOM 62 O VAL A 6 6.698 4.848 4.608 1.00 10.00 O ATOM 63 CB VAL A 6 6.304 1.906 5.337 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.907 1.995 4.764 1.00 10.00 C ATOM 65 CG2 VAL A 6 7.311 1.775 4.199 1.00 10.00 C ATOM 0 H VAL A 6 5.583 3.325 8.053 1.00 10.00 H new ATOM 0 HA VAL A 6 7.339 2.776 7.032 1.00 10.00 H new ATOM 0 HB VAL A 6 6.350 1.020 5.971 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.716 1.127 4.133 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.181 2.019 5.577 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.815 2.903 4.168 1.00 10.00 H new ATOM 0 HG21 VAL A 6 7.045 0.923 3.574 1.00 10.00 H new ATOM 0 HG22 VAL A 6 7.300 2.684 3.597 1.00 10.00 H new ATOM 0 HG23 VAL A 6 8.309 1.625 4.611 1.00 10.00 H new ATOM 75 N ALA A 7 8.679 4.246 5.550 1.00 10.00 N ATOM 76 CA ALA A 7 9.560 5.004 4.650 1.00 10.00 C ATOM 77 C ALA A 7 8.861 6.194 4.019 1.00 10.00 C ATOM 78 O ALA A 7 8.252 6.072 2.962 1.00 10.00 O ATOM 79 CB ALA A 7 10.096 4.079 3.566 1.00 10.00 C ATOM 0 H ALA A 7 9.177 3.778 6.307 1.00 10.00 H new ATOM 0 HA ALA A 7 10.382 5.398 5.248 1.00 10.00 H new ATOM 0 HB1 ALA A 7 10.749 4.641 2.899 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.659 3.267 4.026 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.264 3.666 2.996 1.00 10.00 H new ATOM 85 N GLU A 8 8.973 7.338 4.662 1.00 10.00 N ATOM 86 CA GLU A 8 8.168 8.524 4.327 1.00 10.00 C ATOM 87 C GLU A 8 8.343 8.997 2.875 1.00 10.00 C ATOM 88 O GLU A 8 7.737 9.985 2.462 1.00 10.00 O ATOM 89 CB GLU A 8 8.472 9.677 5.287 1.00 10.00 C ATOM 90 CG GLU A 8 8.438 9.282 6.747 1.00 10.00 C ATOM 91 CD GLU A 8 9.709 8.598 7.220 1.00 10.00 C ATOM 92 OE1 GLU A 8 10.686 9.304 7.542 1.00 10.00 O ATOM 93 OE2 GLU A 8 9.735 7.354 7.280 1.00 10.00 O ATOM 0 H GLU A 8 9.622 7.485 5.435 1.00 10.00 H new ATOM 0 HA GLU A 8 7.128 8.215 4.436 1.00 10.00 H new ATOM 0 HB2 GLU A 8 9.456 10.082 5.053 1.00 10.00 H new ATOM 0 HB3 GLU A 8 7.750 10.476 5.120 1.00 10.00 H new ATOM 0 HG2 GLU A 8 8.267 10.172 7.352 1.00 10.00 H new ATOM 0 HG3 GLU A 8 7.592 8.615 6.915 1.00 10.00 H new ATOM 100 N CYS A 9 9.157 8.284 2.111 1.00 10.00 N ATOM 101 CA CYS A 9 9.330 8.558 0.698 1.00 10.00 C ATOM 102 C CYS A 9 8.188 7.936 -0.114 1.00 10.00 C ATOM 103 O CYS A 9 7.936 8.342 -1.243 1.00 10.00 O ATOM 104 CB CYS A 9 10.658 7.986 0.201 1.00 10.00 C ATOM 105 SG CYS A 9 12.115 8.407 1.203 1.00 10.00 S ATOM 0 H CYS A 9 9.714 7.502 2.455 1.00 10.00 H new ATOM 0 HA CYS A 9 9.325 9.640 0.564 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.572 6.900 0.155 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.826 8.336 -0.818 1.00 10.00 H new ATOM 110 N VAL A 10 7.524 6.925 0.448 1.00 10.00 N ATOM 111 CA VAL A 10 6.408 6.274 -0.238 1.00 10.00 C ATOM 112 C VAL A 10 5.105 6.980 0.146 1.00 10.00 C ATOM 113 O VAL A 10 4.909 7.333 1.310 1.00 10.00 O ATOM 114 CB VAL A 10 6.314 4.736 0.073 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.480 4.257 0.914 1.00 10.00 C ATOM 116 CG2 VAL A 10 4.992 4.349 0.733 1.00 10.00 C ATOM 0 H VAL A 10 7.737 6.542 1.369 1.00 10.00 H new ATOM 0 HA VAL A 10 6.581 6.358 -1.311 1.00 10.00 H new ATOM 0 HB VAL A 10 6.358 4.235 -0.894 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.376 3.189 1.106 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.413 4.441 0.381 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.491 4.796 1.861 1.00 10.00 H new ATOM 0 HG21 VAL A 10 4.982 3.276 0.925 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.884 4.887 1.675 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.166 4.607 0.071 1.00 10.00 H new ATOM 126 N GLU A 11 4.232 7.219 -0.826 1.00 10.00 N ATOM 127 CA GLU A 11 2.965 7.882 -0.549 1.00 10.00 C ATOM 128 C GLU A 11 1.838 7.231 -1.338 1.00 10.00 C ATOM 129 O GLU A 11 1.928 7.119 -2.559 1.00 10.00 O ATOM 130 CB GLU A 11 3.041 9.375 -0.903 1.00 10.00 C ATOM 131 CG GLU A 11 1.698 10.084 -0.800 1.00 10.00 C ATOM 132 CD GLU A 11 1.755 11.542 -1.203 1.00 10.00 C ATOM 133 OE1 GLU A 11 1.908 11.824 -2.408 1.00 10.00 O ATOM 134 OE2 GLU A 11 1.629 12.413 -0.316 1.00 10.00 O ATOM 0 H GLU A 11 4.377 6.966 -1.804 1.00 10.00 H new ATOM 0 HA GLU A 11 2.762 7.781 0.517 1.00 10.00 H new ATOM 0 HB2 GLU A 11 3.754 9.863 -0.239 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.425 9.482 -1.918 1.00 10.00 H new ATOM 0 HG2 GLU A 11 0.974 9.568 -1.431 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.335 10.012 0.225 1.00 10.00 H new ATOM 141 N TYR A 12 0.792 6.786 -0.650 1.00 10.00 N ATOM 142 CA TYR A 12 -0.356 6.203 -1.333 1.00 10.00 C ATOM 143 C TYR A 12 -1.447 7.229 -1.609 1.00 10.00 C ATOM 144 O TYR A 12 -1.437 8.340 -1.077 1.00 10.00 O ATOM 145 CB TYR A 12 -0.936 4.998 -0.564 1.00 10.00 C ATOM 146 CG TYR A 12 -1.449 5.262 0.851 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.754 6.559 1.240 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.614 4.250 1.795 1.00 10.00 C ATOM 149 CE1 TYR A 12 -2.208 6.844 2.510 1.00 10.00 C ATOM 150 CE2 TYR A 12 -2.065 4.527 3.072 1.00 10.00 C ATOM 151 CZ TYR A 12 -2.410 5.662 3.439 1.00 10.00 C ATOM 152 OH TYR A 12 -2.804 6.100 4.699 1.00 10.00 O ATOM 0 H TYR A 12 0.715 6.817 0.367 1.00 10.00 H new ATOM 0 HA TYR A 12 0.016 5.846 -2.293 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.756 4.585 -1.150 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.165 4.229 -0.507 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.633 7.364 0.531 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.385 3.230 1.524 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -2.409 7.857 2.827 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -2.120 3.717 3.785 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.932 5.328 5.289 1.00 10.00 H new ATOM 162 N PHE A 13 -2.375 6.829 -2.454 1.00 10.00 N ATOM 163 CA PHE A 13 -3.576 7.585 -2.728 1.00 10.00 C ATOM 164 C PHE A 13 -4.718 6.590 -2.871 1.00 10.00 C ATOM 165 O PHE A 13 -4.483 5.415 -3.145 1.00 10.00 O ATOM 166 CB PHE A 13 -3.400 8.418 -4.006 1.00 10.00 C ATOM 167 CG PHE A 13 -4.631 9.160 -4.439 1.00 10.00 C ATOM 168 CD1 PHE A 13 -5.089 10.237 -3.702 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.327 8.786 -5.578 1.00 10.00 C ATOM 170 CE1 PHE A 13 -6.219 10.930 -4.088 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.461 9.474 -5.971 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.915 10.517 -5.256 1.00 10.00 C ATOM 0 H PHE A 13 -2.313 5.955 -2.977 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.790 8.283 -1.918 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.595 9.136 -3.849 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.086 7.758 -4.814 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -4.556 10.540 -2.813 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -4.980 7.948 -6.165 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -6.569 11.773 -3.511 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -6.988 9.169 -6.863 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.807 11.040 -5.568 1.00 10.00 H new ATOM 182 N GLN A 14 -5.937 7.031 -2.652 1.00 10.00 N ATOM 183 CA GLN A 14 -7.071 6.133 -2.748 1.00 10.00 C ATOM 184 C GLN A 14 -7.943 6.494 -3.942 1.00 10.00 C ATOM 185 O GLN A 14 -8.619 7.522 -3.952 1.00 10.00 O ATOM 186 CB GLN A 14 -7.893 6.116 -1.445 1.00 10.00 C ATOM 187 CG GLN A 14 -8.231 7.490 -0.873 1.00 10.00 C ATOM 188 CD GLN A 14 -7.075 8.135 -0.121 1.00 10.00 C ATOM 189 OE1 GLN A 14 -6.938 9.360 -0.099 1.00 10.00 O ATOM 190 NE2 GLN A 14 -6.245 7.319 0.512 1.00 10.00 N ATOM 0 H GLN A 14 -6.169 7.994 -2.409 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.685 5.125 -2.900 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.823 5.577 -1.628 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -7.341 5.553 -0.693 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -8.538 8.148 -1.686 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -9.084 7.395 -0.201 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -6.391 6.310 0.471 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -5.460 7.699 1.041 1.00 10.00 H new ATOM 199 N SER A 15 -7.907 5.639 -4.949 1.00 10.00 N ATOM 200 CA SER A 15 -8.675 5.835 -6.156 1.00 10.00 C ATOM 201 C SER A 15 -9.673 4.686 -6.291 1.00 10.00 C ATOM 202 O SER A 15 -9.946 3.982 -5.311 1.00 10.00 O ATOM 203 CB SER A 15 -7.724 5.887 -7.360 1.00 10.00 C ATOM 204 OG SER A 15 -8.389 6.310 -8.538 1.00 10.00 O ATOM 0 H SER A 15 -7.342 4.790 -4.948 1.00 10.00 H new ATOM 0 HA SER A 15 -9.224 6.776 -6.115 1.00 10.00 H new ATOM 0 HB2 SER A 15 -6.900 6.567 -7.143 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.289 4.901 -7.522 1.00 10.00 H new ATOM 0 HG SER A 15 -7.753 6.332 -9.283 1.00 10.00 H new ATOM 210 N TRP A 16 -10.211 4.503 -7.486 1.00 10.00 N ATOM 211 CA TRP A 16 -11.163 3.430 -7.753 1.00 10.00 C ATOM 212 C TRP A 16 -10.519 2.053 -7.572 1.00 10.00 C ATOM 213 O TRP A 16 -9.891 1.524 -8.490 1.00 10.00 O ATOM 214 CB TRP A 16 -11.751 3.581 -9.166 1.00 10.00 C ATOM 215 CG TRP A 16 -10.806 4.219 -10.148 1.00 10.00 C ATOM 216 CD1 TRP A 16 -9.795 3.611 -10.846 1.00 10.00 C ATOM 217 CD2 TRP A 16 -10.793 5.599 -10.542 1.00 10.00 C ATOM 218 NE1 TRP A 16 -9.152 4.531 -11.640 1.00 10.00 N ATOM 219 CE2 TRP A 16 -9.749 5.755 -11.476 1.00 10.00 C ATOM 220 CE3 TRP A 16 -11.563 6.720 -10.197 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -9.453 6.984 -12.061 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -11.268 7.938 -10.784 1.00 10.00 C ATOM 223 CH2 TRP A 16 -10.223 8.060 -11.710 1.00 10.00 C ATOM 0 H TRP A 16 -10.004 5.088 -8.295 1.00 10.00 H new ATOM 0 HA TRP A 16 -11.974 3.507 -7.028 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -12.038 2.597 -9.538 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -12.661 4.179 -9.110 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -9.541 2.563 -10.782 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -8.360 4.335 -12.252 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -12.371 6.634 -9.486 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -8.643 7.085 -12.768 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -11.852 8.808 -10.524 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -10.021 9.023 -12.156 1.00 10.00 H new ATOM 234 N ARG A 17 -10.649 1.505 -6.358 1.00 10.00 N ATOM 235 CA ARG A 17 -10.127 0.175 -6.027 1.00 10.00 C ATOM 236 C ARG A 17 -8.600 0.153 -6.174 1.00 10.00 C ATOM 237 O ARG A 17 -7.997 -0.877 -6.474 1.00 10.00 O ATOM 238 CB ARG A 17 -10.786 -0.883 -6.926 1.00 10.00 C ATOM 239 CG ARG A 17 -10.493 -2.322 -6.524 1.00 10.00 C ATOM 240 CD ARG A 17 -11.078 -3.305 -7.524 1.00 10.00 C ATOM 241 NE ARG A 17 -10.539 -3.095 -8.870 1.00 10.00 N ATOM 242 CZ ARG A 17 -11.117 -3.547 -9.987 1.00 10.00 C ATOM 243 NH1 ARG A 17 -12.248 -4.233 -9.918 1.00 10.00 N ATOM 244 NH2 ARG A 17 -10.568 -3.298 -11.173 1.00 10.00 N ATOM 0 H ARG A 17 -11.117 1.970 -5.580 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.368 -0.058 -4.990 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -11.865 -0.729 -6.917 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -10.451 -0.730 -7.952 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -9.415 -2.470 -6.453 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -10.907 -2.517 -5.535 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.863 -4.324 -7.201 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -12.163 -3.200 -7.546 1.00 10.00 H new ATOM 0 HE ARG A 17 -9.668 -2.571 -8.960 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -12.679 -4.417 -9.012 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -12.688 -4.578 -10.771 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -9.703 -2.761 -11.232 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -11.012 -3.645 -12.023 1.00 10.00 H new ATOM 258 N TYR A 18 -7.972 1.291 -5.917 1.00 10.00 N ATOM 259 CA TYR A 18 -6.545 1.440 -6.140 1.00 10.00 C ATOM 260 C TYR A 18 -5.921 2.319 -5.075 1.00 10.00 C ATOM 261 O TYR A 18 -6.167 3.522 -5.037 1.00 10.00 O ATOM 262 CB TYR A 18 -6.299 2.089 -7.495 1.00 10.00 C ATOM 263 CG TYR A 18 -5.329 1.349 -8.394 1.00 10.00 C ATOM 264 CD1 TYR A 18 -3.951 1.485 -8.252 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.804 0.509 -9.396 1.00 10.00 C ATOM 266 CE1 TYR A 18 -3.084 0.804 -9.082 1.00 10.00 C ATOM 267 CE2 TYR A 18 -4.938 -0.172 -10.227 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.579 -0.022 -10.067 1.00 10.00 C ATOM 269 OH TYR A 18 -2.711 -0.701 -10.892 1.00 10.00 O ATOM 0 H TYR A 18 -8.431 2.126 -5.553 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.095 0.448 -6.103 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.253 2.183 -8.014 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -5.923 3.099 -7.334 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.555 2.132 -7.483 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.869 0.388 -9.526 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -2.017 0.919 -8.959 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -5.325 -0.820 -11.000 1.00 10.00 H new ATOM 0 HH TYR A 18 -3.222 -1.240 -11.531 1.00 10.00 H new ATOM 279 N THR A 19 -5.172 1.721 -4.182 1.00 10.00 N ATOM 280 CA THR A 19 -4.320 2.477 -3.303 1.00 10.00 C ATOM 281 C THR A 19 -2.895 2.491 -3.857 1.00 10.00 C ATOM 282 O THR A 19 -2.137 1.534 -3.697 1.00 10.00 O ATOM 283 CB THR A 19 -4.413 1.923 -1.869 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.646 2.376 -1.303 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.253 2.362 -0.986 1.00 10.00 C ATOM 0 H THR A 19 -5.136 0.711 -4.046 1.00 10.00 H new ATOM 0 HA THR A 19 -4.651 3.514 -3.253 1.00 10.00 H new ATOM 0 HB THR A 19 -4.368 0.835 -1.919 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.462 2.911 -0.503 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.375 1.940 0.012 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.315 2.011 -1.416 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.237 3.450 -0.920 1.00 10.00 H new ATOM 293 N ASP A 20 -2.589 3.560 -4.592 1.00 10.00 N ATOM 294 CA ASP A 20 -1.299 3.722 -5.257 1.00 10.00 C ATOM 295 C ASP A 20 -0.255 4.309 -4.331 1.00 10.00 C ATOM 296 O ASP A 20 -0.303 5.486 -4.000 1.00 10.00 O ATOM 297 CB ASP A 20 -1.419 4.622 -6.493 1.00 10.00 C ATOM 298 CG ASP A 20 -2.171 5.914 -6.241 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.396 5.858 -6.014 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.530 6.990 -6.275 1.00 10.00 O ATOM 0 H ASP A 20 -3.231 4.339 -4.742 1.00 10.00 H new ATOM 0 HA ASP A 20 -0.984 2.723 -5.559 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.419 4.860 -6.856 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.922 4.069 -7.286 1.00 10.00 H new ATOM 305 N VAL A 21 0.704 3.498 -3.931 1.00 10.00 N ATOM 306 CA VAL A 21 1.803 3.996 -3.132 1.00 10.00 C ATOM 307 C VAL A 21 3.007 4.231 -4.023 1.00 10.00 C ATOM 308 O VAL A 21 3.624 3.301 -4.546 1.00 10.00 O ATOM 309 CB VAL A 21 2.128 3.107 -1.892 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.264 1.862 -1.850 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.601 2.736 -1.799 1.00 10.00 C ATOM 0 H VAL A 21 0.744 2.501 -4.144 1.00 10.00 H new ATOM 0 HA VAL A 21 1.498 4.949 -2.699 1.00 10.00 H new ATOM 0 HB VAL A 21 1.894 3.718 -1.020 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.521 1.270 -0.972 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.214 2.149 -1.799 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.435 1.270 -2.749 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.765 2.117 -0.917 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.894 2.181 -2.691 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.201 3.643 -1.723 1.00 10.00 H new ATOM 321 N HIS A 22 3.261 5.500 -4.261 1.00 10.00 N ATOM 322 CA HIS A 22 4.391 5.924 -5.055 1.00 10.00 C ATOM 323 C HIS A 22 5.559 6.309 -4.160 1.00 10.00 C ATOM 324 O HIS A 22 5.486 7.288 -3.417 1.00 10.00 O ATOM 325 CB HIS A 22 4.020 7.090 -5.996 1.00 10.00 C ATOM 326 CG HIS A 22 2.909 7.979 -5.514 1.00 10.00 C ATOM 327 ND1 HIS A 22 3.113 9.186 -4.884 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.565 7.842 -5.633 1.00 10.00 C ATOM 329 CE1 HIS A 22 1.943 9.750 -4.635 1.00 10.00 C ATOM 330 NE2 HIS A 22 0.989 8.954 -5.080 1.00 10.00 N ATOM 0 H HIS A 22 2.688 6.267 -3.908 1.00 10.00 H new ATOM 0 HA HIS A 22 4.691 5.081 -5.678 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.908 7.701 -6.157 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.738 6.677 -6.965 1.00 10.00 H new ATOM 0 HD2 HIS A 22 1.045 7.009 -6.082 1.00 10.00 H new ATOM 0 HE1 HIS A 22 1.793 10.703 -4.149 1.00 10.00 H new ATOM 0 HE2 HIS A 22 -0.013 9.137 -5.022 1.00 10.00 H new ATOM 339 N ASN A 23 6.615 5.512 -4.211 1.00 10.00 N ATOM 340 CA ASN A 23 7.815 5.773 -3.427 1.00 10.00 C ATOM 341 C ASN A 23 8.713 6.799 -4.128 1.00 10.00 C ATOM 342 O ASN A 23 8.607 7.002 -5.331 1.00 10.00 O ATOM 343 CB ASN A 23 8.585 4.466 -3.195 1.00 10.00 C ATOM 344 CG ASN A 23 9.957 4.666 -2.567 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.952 4.864 -3.265 1.00 10.00 O ATOM 346 ND2 ASN A 23 10.021 4.608 -1.244 1.00 10.00 N ATOM 0 H ASN A 23 6.666 4.674 -4.790 1.00 10.00 H new ATOM 0 HA ASN A 23 7.514 6.186 -2.464 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.993 3.815 -2.552 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.703 3.951 -4.148 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.916 4.729 -0.771 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.175 4.442 -0.699 1.00 10.00 H new ATOM 353 N GLY A 24 9.570 7.464 -3.364 1.00 10.00 N ATOM 354 CA GLY A 24 10.590 8.323 -3.943 1.00 10.00 C ATOM 355 C GLY A 24 11.852 8.364 -3.096 1.00 10.00 C ATOM 356 O GLY A 24 12.515 9.391 -3.004 1.00 10.00 O ATOM 0 H GLY A 24 9.578 7.424 -2.345 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.837 7.968 -4.944 1.00 10.00 H new ATOM 0 HA3 GLY A 24 10.194 9.333 -4.052 1.00 10.00 H new ATOM 360 N CYS A 25 12.182 7.239 -2.465 1.00 10.00 N ATOM 361 CA CYS A 25 13.325 7.174 -1.553 1.00 10.00 C ATOM 362 C CYS A 25 14.622 6.907 -2.299 1.00 10.00 C ATOM 363 O CYS A 25 15.707 7.098 -1.753 1.00 10.00 O ATOM 364 CB CYS A 25 13.111 6.087 -0.504 1.00 10.00 C ATOM 365 SG CYS A 25 13.182 6.677 1.223 1.00 10.00 S ATOM 0 H CYS A 25 11.675 6.360 -2.568 1.00 10.00 H new ATOM 0 HA CYS A 25 13.403 8.144 -1.063 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.141 5.620 -0.676 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.866 5.313 -0.642 1.00 10.00 H new ATOM 370 N ALA A 26 14.475 6.419 -3.531 1.00 10.00 N ATOM 371 CA ALA A 26 15.595 6.098 -4.431 1.00 10.00 C ATOM 372 C ALA A 26 16.103 4.681 -4.196 1.00 10.00 C ATOM 373 O ALA A 26 16.865 4.146 -5.001 1.00 10.00 O ATOM 374 CB ALA A 26 16.730 7.109 -4.331 1.00 10.00 C ATOM 0 H ALA A 26 13.561 6.231 -3.943 1.00 10.00 H new ATOM 0 HA ALA A 26 15.206 6.157 -5.448 1.00 10.00 H new ATOM 0 HB1 ALA A 26 17.530 6.826 -5.015 1.00 10.00 H new ATOM 0 HB2 ALA A 26 16.360 8.099 -4.596 1.00 10.00 H new ATOM 0 HB3 ALA A 26 17.113 7.126 -3.311 1.00 10.00 H new ATOM 380 N ASP A 27 15.674 4.072 -3.097 1.00 10.00 N ATOM 381 CA ASP A 27 15.987 2.677 -2.834 1.00 10.00 C ATOM 382 C ASP A 27 14.707 1.879 -2.643 1.00 10.00 C ATOM 383 O ASP A 27 13.659 2.432 -2.295 1.00 10.00 O ATOM 384 CB ASP A 27 16.889 2.526 -1.604 1.00 10.00 C ATOM 385 CG ASP A 27 16.168 2.771 -0.292 1.00 10.00 C ATOM 386 OD1 ASP A 27 15.743 3.918 -0.041 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.048 1.816 0.507 1.00 10.00 O ATOM 0 H ASP A 27 15.110 4.523 -2.377 1.00 10.00 H new ATOM 0 HA ASP A 27 16.528 2.289 -3.697 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.313 1.522 -1.595 1.00 10.00 H new ATOM 0 HB3 ASP A 27 17.723 3.223 -1.687 1.00 10.00 H new ATOM 392 N ALA A 28 14.794 0.588 -2.919 1.00 10.00 N ATOM 393 CA ALA A 28 13.671 -0.324 -2.751 1.00 10.00 C ATOM 394 C ALA A 28 13.319 -0.505 -1.279 1.00 10.00 C ATOM 395 O ALA A 28 14.164 -0.901 -0.476 1.00 10.00 O ATOM 396 CB ALA A 28 13.992 -1.673 -3.382 1.00 10.00 C ATOM 0 H ALA A 28 15.643 0.142 -3.265 1.00 10.00 H new ATOM 0 HA ALA A 28 12.807 0.111 -3.253 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.145 -2.347 -3.250 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.188 -1.540 -4.446 1.00 10.00 H new ATOM 0 HB3 ALA A 28 14.873 -2.099 -2.902 1.00 10.00 H new ATOM 402 N VAL A 29 12.070 -0.227 -0.933 1.00 10.00 N ATOM 403 CA VAL A 29 11.610 -0.411 0.442 1.00 10.00 C ATOM 404 C VAL A 29 10.379 -1.286 0.512 1.00 10.00 C ATOM 405 O VAL A 29 9.463 -1.153 -0.284 1.00 10.00 O ATOM 406 CB VAL A 29 11.305 0.915 1.167 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.558 1.758 1.326 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.229 1.706 0.444 1.00 10.00 C ATOM 0 H VAL A 29 11.360 0.124 -1.576 1.00 10.00 H new ATOM 0 HA VAL A 29 12.443 -0.898 0.949 1.00 10.00 H new ATOM 0 HB VAL A 29 10.934 0.660 2.160 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.309 2.686 1.841 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.296 1.207 1.908 1.00 10.00 H new ATOM 0 HG13 VAL A 29 12.969 1.987 0.343 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.038 2.635 0.981 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.563 1.934 -0.568 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.313 1.117 0.400 1.00 10.00 H new ATOM 418 N SER A 30 10.347 -2.158 1.494 1.00 10.00 N ATOM 419 CA SER A 30 9.248 -3.078 1.643 1.00 10.00 C ATOM 420 C SER A 30 8.182 -2.435 2.485 1.00 10.00 C ATOM 421 O SER A 30 8.420 -2.037 3.619 1.00 10.00 O ATOM 422 CB SER A 30 9.742 -4.378 2.268 1.00 10.00 C ATOM 423 OG SER A 30 10.928 -4.826 1.629 1.00 10.00 O ATOM 0 H SER A 30 11.074 -2.248 2.203 1.00 10.00 H new ATOM 0 HA SER A 30 8.824 -3.318 0.668 1.00 10.00 H new ATOM 0 HB2 SER A 30 9.931 -4.227 3.331 1.00 10.00 H new ATOM 0 HB3 SER A 30 8.969 -5.142 2.187 1.00 10.00 H new ATOM 0 HG SER A 30 11.229 -5.660 2.046 1.00 10.00 H new ATOM 429 N VAL A 31 7.028 -2.267 1.891 1.00 10.00 N ATOM 430 CA VAL A 31 5.913 -1.676 2.568 1.00 10.00 C ATOM 431 C VAL A 31 4.792 -2.691 2.727 1.00 10.00 C ATOM 432 O VAL A 31 4.810 -3.752 2.123 1.00 10.00 O ATOM 433 CB VAL A 31 5.407 -0.416 1.810 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.566 0.345 1.167 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.351 -0.766 0.760 1.00 10.00 C ATOM 0 H VAL A 31 6.840 -2.537 0.926 1.00 10.00 H new ATOM 0 HA VAL A 31 6.242 -1.363 3.559 1.00 10.00 H new ATOM 0 HB VAL A 31 4.937 0.231 2.551 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.181 1.221 0.644 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.266 0.662 1.940 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.079 -0.305 0.458 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.025 0.143 0.255 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.778 -1.454 0.030 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.497 -1.237 1.246 1.00 10.00 H new ATOM 445 N THR A 32 3.856 -2.365 3.580 1.00 10.00 N ATOM 446 CA THR A 32 2.691 -3.191 3.836 1.00 10.00 C ATOM 447 C THR A 32 1.517 -2.283 4.192 1.00 10.00 C ATOM 448 O THR A 32 1.722 -1.124 4.532 1.00 10.00 O ATOM 449 CB THR A 32 2.971 -4.222 4.971 1.00 10.00 C ATOM 450 OG1 THR A 32 1.803 -4.463 5.753 1.00 10.00 O ATOM 451 CG2 THR A 32 4.090 -3.772 5.892 1.00 10.00 C ATOM 0 H THR A 32 3.876 -1.505 4.128 1.00 10.00 H new ATOM 0 HA THR A 32 2.448 -3.764 2.941 1.00 10.00 H new ATOM 0 HB THR A 32 3.276 -5.142 4.473 1.00 10.00 H new ATOM 0 HG1 THR A 32 2.008 -5.115 6.456 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.248 -4.523 6.666 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.007 -3.646 5.316 1.00 10.00 H new ATOM 0 HG23 THR A 32 3.820 -2.823 6.356 1.00 10.00 H new ATOM 459 N VAL A 33 0.299 -2.786 4.089 1.00 10.00 N ATOM 460 CA VAL A 33 -0.873 -1.956 4.302 1.00 10.00 C ATOM 461 C VAL A 33 -1.907 -2.665 5.141 1.00 10.00 C ATOM 462 O VAL A 33 -2.153 -3.859 4.981 1.00 10.00 O ATOM 463 CB VAL A 33 -1.537 -1.522 2.987 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.335 -0.039 2.740 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.990 -2.334 1.833 1.00 10.00 C ATOM 0 H VAL A 33 0.097 -3.759 3.861 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.511 -1.070 4.823 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.609 -1.705 3.067 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.815 0.242 1.803 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.776 0.530 3.559 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.268 0.178 2.681 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.468 -2.017 0.906 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.086 -2.179 1.757 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.193 -3.391 2.003 1.00 10.00 H new ATOM 475 N GLU A 34 -2.512 -1.912 6.027 1.00 10.00 N ATOM 476 CA GLU A 34 -3.519 -2.429 6.917 1.00 10.00 C ATOM 477 C GLU A 34 -4.882 -1.921 6.474 1.00 10.00 C ATOM 478 O GLU A 34 -5.112 -0.711 6.448 1.00 10.00 O ATOM 479 CB GLU A 34 -3.191 -1.964 8.329 1.00 10.00 C ATOM 480 CG GLU A 34 -4.066 -2.571 9.410 1.00 10.00 C ATOM 481 CD GLU A 34 -3.636 -2.143 10.798 1.00 10.00 C ATOM 482 OE1 GLU A 34 -3.956 -1.008 11.203 1.00 10.00 O ATOM 483 OE2 GLU A 34 -2.951 -2.929 11.483 1.00 10.00 O ATOM 0 H GLU A 34 -2.318 -0.918 6.150 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.539 -3.519 6.897 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -2.150 -2.204 8.544 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.283 -0.879 8.371 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -5.102 -2.276 9.245 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -4.028 -3.658 9.338 1.00 10.00 H new ATOM 490 N TYR A 35 -5.764 -2.825 6.072 1.00 10.00 N ATOM 491 CA TYR A 35 -7.084 -2.419 5.613 1.00 10.00 C ATOM 492 C TYR A 35 -8.082 -2.402 6.751 1.00 10.00 C ATOM 493 O TYR A 35 -7.867 -3.001 7.800 1.00 10.00 O ATOM 494 CB TYR A 35 -7.627 -3.323 4.497 1.00 10.00 C ATOM 495 CG TYR A 35 -6.655 -3.561 3.371 1.00 10.00 C ATOM 496 CD1 TYR A 35 -5.716 -4.584 3.429 1.00 10.00 C ATOM 497 CD2 TYR A 35 -6.683 -2.758 2.244 1.00 10.00 C ATOM 498 CE1 TYR A 35 -4.833 -4.795 2.387 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.807 -2.964 1.203 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.886 -3.977 1.278 1.00 10.00 C ATOM 501 OH TYR A 35 -4.020 -4.177 0.233 1.00 10.00 O ATOM 0 H TYR A 35 -5.593 -3.830 6.054 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.960 -1.413 5.213 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.910 -4.284 4.928 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.534 -2.876 4.091 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -5.676 -5.222 4.299 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -7.404 -1.957 2.181 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -4.108 -5.594 2.441 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -5.845 -2.330 0.330 1.00 10.00 H new ATOM 0 HH TYR A 35 -4.421 -4.799 -0.410 1.00 10.00 H new ATOM 511 N THR A 36 -9.179 -1.712 6.511 1.00 10.00 N ATOM 512 CA THR A 36 -10.299 -1.670 7.430 1.00 10.00 C ATOM 513 C THR A 36 -10.807 -3.082 7.792 1.00 10.00 C ATOM 514 O THR A 36 -11.454 -3.274 8.820 1.00 10.00 O ATOM 515 CB THR A 36 -11.433 -0.818 6.813 1.00 10.00 C ATOM 516 OG1 THR A 36 -10.944 0.503 6.562 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.662 -0.741 7.715 1.00 10.00 C ATOM 0 H THR A 36 -9.319 -1.160 5.665 1.00 10.00 H new ATOM 0 HA THR A 36 -9.962 -1.212 8.360 1.00 10.00 H new ATOM 0 HB THR A 36 -11.740 -1.300 5.885 1.00 10.00 H new ATOM 0 HG1 THR A 36 -10.188 0.459 5.941 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.428 -0.132 7.235 1.00 10.00 H new ATOM 0 HG22 THR A 36 -13.051 -1.745 7.886 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.386 -0.292 8.669 1.00 10.00 H new ATOM 525 N HIS A 37 -10.508 -4.070 6.952 1.00 10.00 N ATOM 526 CA HIS A 37 -10.876 -5.453 7.251 1.00 10.00 C ATOM 527 C HIS A 37 -9.630 -6.335 7.330 1.00 10.00 C ATOM 528 O HIS A 37 -9.090 -6.550 8.415 1.00 10.00 O ATOM 529 CB HIS A 37 -11.870 -6.003 6.226 1.00 10.00 C ATOM 530 CG HIS A 37 -13.212 -5.356 6.278 1.00 10.00 C ATOM 531 ND1 HIS A 37 -14.259 -5.847 7.023 1.00 10.00 N ATOM 532 CD2 HIS A 37 -13.680 -4.251 5.659 1.00 10.00 C ATOM 533 CE1 HIS A 37 -15.313 -5.075 6.858 1.00 10.00 C ATOM 534 NE2 HIS A 37 -14.989 -4.097 6.036 1.00 10.00 N ATOM 0 H HIS A 37 -10.017 -3.942 6.067 1.00 10.00 H new ATOM 0 HA HIS A 37 -11.369 -5.464 8.223 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.454 -5.875 5.227 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.988 -7.075 6.387 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -13.126 -3.608 4.991 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -16.279 -5.219 7.318 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -15.610 -3.348 5.730 1.00 10.00 H new ATOM 543 N GLY A 38 -9.158 -6.834 6.186 1.00 10.00 N ATOM 544 CA GLY A 38 -7.931 -7.609 6.195 1.00 10.00 C ATOM 545 C GLY A 38 -7.747 -8.497 4.974 1.00 10.00 C ATOM 546 O GLY A 38 -7.529 -9.698 5.114 1.00 10.00 O ATOM 0 H GLY A 38 -9.595 -6.717 5.272 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.084 -6.927 6.265 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.914 -8.232 7.089 1.00 10.00 H new ATOM 550 N GLN A 39 -7.853 -7.922 3.779 1.00 10.00 N ATOM 551 CA GLN A 39 -7.477 -8.636 2.560 1.00 10.00 C ATOM 552 C GLN A 39 -5.976 -8.907 2.563 1.00 10.00 C ATOM 553 O GLN A 39 -5.192 -8.062 3.001 1.00 10.00 O ATOM 554 CB GLN A 39 -7.864 -7.827 1.312 1.00 10.00 C ATOM 555 CG GLN A 39 -9.246 -8.148 0.760 1.00 10.00 C ATOM 556 CD GLN A 39 -9.307 -9.499 0.065 1.00 10.00 C ATOM 557 OE1 GLN A 39 -8.590 -10.437 0.427 1.00 10.00 O ATOM 558 NE2 GLN A 39 -10.156 -9.605 -0.945 1.00 10.00 N ATOM 0 H GLN A 39 -8.193 -6.972 3.628 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.015 -9.584 2.533 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.820 -6.765 1.554 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.124 -8.007 0.533 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.970 -8.131 1.575 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.540 -7.369 0.056 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -10.731 -8.807 -1.214 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -10.235 -10.485 -1.455 1.00 10.00 H new ATOM 567 N TRP A 40 -5.578 -10.078 2.081 1.00 10.00 N ATOM 568 CA TRP A 40 -4.176 -10.447 2.065 1.00 10.00 C ATOM 569 C TRP A 40 -3.429 -9.646 1.002 1.00 10.00 C ATOM 570 O TRP A 40 -3.757 -9.703 -0.185 1.00 10.00 O ATOM 571 CB TRP A 40 -4.031 -11.951 1.837 1.00 10.00 C ATOM 572 CG TRP A 40 -2.618 -12.429 1.809 1.00 10.00 C ATOM 573 CD1 TRP A 40 -2.028 -13.115 0.800 1.00 10.00 C ATOM 574 CD2 TRP A 40 -1.616 -12.260 2.823 1.00 10.00 C ATOM 575 NE1 TRP A 40 -0.723 -13.397 1.116 1.00 10.00 N ATOM 576 CE2 TRP A 40 -0.443 -12.878 2.353 1.00 10.00 C ATOM 577 CE3 TRP A 40 -1.596 -11.642 4.080 1.00 10.00 C ATOM 578 CZ2 TRP A 40 0.735 -12.898 3.091 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -0.427 -11.666 4.814 1.00 10.00 C ATOM 580 CH2 TRP A 40 0.727 -12.289 4.317 1.00 10.00 C ATOM 0 H TRP A 40 -6.207 -10.784 1.698 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.733 -10.210 3.032 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -4.567 -12.480 2.625 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -4.511 -12.213 0.894 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -2.515 -13.399 -0.121 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -0.068 -13.910 0.526 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -2.479 -11.156 4.468 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 1.625 -13.377 2.711 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -0.401 -11.197 5.787 1.00 10.00 H new ATOM 0 HH2 TRP A 40 1.627 -12.288 4.913 1.00 10.00 H new ATOM 591 N ALA A 41 -2.430 -8.900 1.454 1.00 10.00 N ATOM 592 CA ALA A 41 -1.697 -7.956 0.607 1.00 10.00 C ATOM 593 C ALA A 41 -0.507 -7.325 1.334 1.00 10.00 C ATOM 594 O ALA A 41 0.524 -7.124 0.702 1.00 10.00 O ATOM 595 CB ALA A 41 -2.597 -6.834 0.097 1.00 10.00 C ATOM 0 H ALA A 41 -2.101 -8.929 2.419 1.00 10.00 H new ATOM 0 HA ALA A 41 -1.331 -8.545 -0.234 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -2.015 -6.156 -0.527 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.411 -7.259 -0.490 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -3.009 -6.285 0.944 1.00 10.00 H new ATOM 601 N PRO A 42 -0.656 -6.951 2.650 1.00 10.00 N ATOM 602 CA PRO A 42 0.385 -6.272 3.465 1.00 10.00 C ATOM 603 C PRO A 42 1.824 -6.829 3.343 1.00 10.00 C ATOM 604 O PRO A 42 2.333 -7.451 4.276 1.00 10.00 O ATOM 605 CB PRO A 42 -0.132 -6.443 4.922 1.00 10.00 C ATOM 606 CG PRO A 42 -1.328 -7.328 4.828 1.00 10.00 C ATOM 607 CD PRO A 42 -1.878 -7.099 3.462 1.00 10.00 C ATOM 0 HA PRO A 42 0.499 -5.244 3.122 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.633 -6.887 5.559 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.392 -5.479 5.360 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -1.056 -8.374 4.973 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.062 -7.080 5.595 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.491 -7.935 3.125 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.504 -6.208 3.420 1.00 10.00 H new ATOM 615 N CYS A 43 2.445 -6.608 2.179 1.00 10.00 N ATOM 616 CA CYS A 43 3.891 -6.730 1.985 1.00 10.00 C ATOM 617 C CYS A 43 4.238 -6.591 0.506 1.00 10.00 C ATOM 618 O CYS A 43 3.898 -7.442 -0.315 1.00 10.00 O ATOM 619 CB CYS A 43 4.480 -8.038 2.511 1.00 10.00 C ATOM 620 SG CYS A 43 6.259 -7.896 2.888 1.00 10.00 S ATOM 0 H CYS A 43 1.947 -6.335 1.332 1.00 10.00 H new ATOM 0 HA CYS A 43 4.335 -5.923 2.568 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.943 -8.339 3.411 1.00 10.00 H new ATOM 0 HB3 CYS A 43 4.329 -8.825 1.772 1.00 10.00 H new ATOM 625 N ARG A 44 4.911 -5.506 0.180 1.00 10.00 N ATOM 626 CA ARG A 44 5.345 -5.216 -1.171 1.00 10.00 C ATOM 627 C ARG A 44 6.607 -4.380 -1.123 1.00 10.00 C ATOM 628 O ARG A 44 6.602 -3.282 -0.573 1.00 10.00 O ATOM 629 CB ARG A 44 4.267 -4.445 -1.941 1.00 10.00 C ATOM 630 CG ARG A 44 3.323 -5.310 -2.761 1.00 10.00 C ATOM 631 CD ARG A 44 3.941 -5.720 -4.092 1.00 10.00 C ATOM 632 NE ARG A 44 4.772 -6.924 -3.980 1.00 10.00 N ATOM 633 CZ ARG A 44 5.949 -7.084 -4.591 1.00 10.00 C ATOM 634 NH1 ARG A 44 6.513 -6.070 -5.241 1.00 10.00 N ATOM 635 NH2 ARG A 44 6.567 -8.258 -4.533 1.00 10.00 N ATOM 0 H ARG A 44 5.176 -4.790 0.857 1.00 10.00 H new ATOM 0 HA ARG A 44 5.533 -6.161 -1.682 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.679 -3.864 -1.230 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.756 -3.734 -2.607 1.00 10.00 H new ATOM 0 HG2 ARG A 44 3.061 -6.202 -2.192 1.00 10.00 H new ATOM 0 HG3 ARG A 44 2.397 -4.765 -2.943 1.00 10.00 H new ATOM 0 HD2 ARG A 44 3.147 -5.897 -4.818 1.00 10.00 H new ATOM 0 HD3 ARG A 44 4.547 -4.899 -4.476 1.00 10.00 H new ATOM 0 HE ARG A 44 4.429 -7.688 -3.398 1.00 10.00 H new ATOM 0 HH11 ARG A 44 6.047 -5.163 -5.275 1.00 10.00 H new ATOM 0 HH12 ARG A 44 7.412 -6.199 -5.705 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.143 -9.033 -4.023 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.466 -8.385 -4.998 1.00 10.00 H new ATOM 649 N VAL A 45 7.689 -4.895 -1.676 1.00 10.00 N ATOM 650 CA VAL A 45 8.892 -4.099 -1.800 1.00 10.00 C ATOM 651 C VAL A 45 8.729 -3.161 -2.981 1.00 10.00 C ATOM 652 O VAL A 45 8.352 -3.578 -4.076 1.00 10.00 O ATOM 653 CB VAL A 45 10.176 -4.955 -1.948 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.901 -6.228 -2.718 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.288 -4.163 -2.629 1.00 10.00 C ATOM 0 H VAL A 45 7.759 -5.845 -2.041 1.00 10.00 H new ATOM 0 HA VAL A 45 9.021 -3.533 -0.877 1.00 10.00 H new ATOM 0 HB VAL A 45 10.504 -5.223 -0.944 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.821 -6.807 -2.805 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.150 -6.817 -2.191 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.534 -5.979 -3.714 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.177 -4.788 -2.720 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.959 -3.853 -3.621 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.524 -3.281 -2.033 1.00 10.00 H new ATOM 665 N ILE A 46 8.974 -1.894 -2.734 1.00 10.00 N ATOM 666 CA ILE A 46 8.769 -0.876 -3.714 1.00 10.00 C ATOM 667 C ILE A 46 10.027 -0.675 -4.501 1.00 10.00 C ATOM 668 O ILE A 46 11.132 -0.818 -3.986 1.00 10.00 O ATOM 669 CB ILE A 46 8.375 0.463 -3.050 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.214 1.111 -3.787 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.559 1.412 -2.957 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.863 0.620 -3.304 1.00 10.00 C ATOM 0 H ILE A 46 9.323 -1.549 -1.840 1.00 10.00 H new ATOM 0 HA ILE A 46 7.959 -1.196 -4.370 1.00 10.00 H new ATOM 0 HB ILE A 46 8.053 0.243 -2.032 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.268 2.192 -3.662 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.309 0.909 -4.854 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.243 2.342 -2.485 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.348 0.952 -2.362 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.936 1.623 -3.958 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.073 1.117 -3.866 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.792 -0.457 -3.454 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.751 0.846 -2.244 1.00 10.00 H new ATOM 684 N GLU A 47 9.854 -0.393 -5.751 1.00 10.00 N ATOM 685 CA GLU A 47 10.948 0.026 -6.563 1.00 10.00 C ATOM 686 C GLU A 47 11.109 1.524 -6.384 1.00 10.00 C ATOM 687 O GLU A 47 10.116 2.218 -6.187 1.00 10.00 O ATOM 688 CB GLU A 47 10.682 -0.362 -8.009 1.00 10.00 C ATOM 689 CG GLU A 47 10.221 -1.802 -8.131 1.00 10.00 C ATOM 690 CD GLU A 47 10.116 -2.267 -9.565 1.00 10.00 C ATOM 691 OE1 GLU A 47 9.078 -2.003 -10.203 1.00 10.00 O ATOM 692 OE2 GLU A 47 11.073 -2.893 -10.067 1.00 10.00 O ATOM 0 H GLU A 47 8.958 -0.446 -6.235 1.00 10.00 H new ATOM 0 HA GLU A 47 11.878 -0.461 -6.270 1.00 10.00 H new ATOM 0 HB2 GLU A 47 9.924 0.299 -8.429 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.589 -0.220 -8.596 1.00 10.00 H new ATOM 0 HG2 GLU A 47 10.917 -2.447 -7.595 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.250 -1.909 -7.648 1.00 10.00 H new ATOM 699 N PRO A 48 12.346 2.017 -6.340 1.00 10.00 N ATOM 700 CA PRO A 48 12.637 3.444 -6.267 1.00 10.00 C ATOM 701 C PRO A 48 11.767 4.278 -7.206 1.00 10.00 C ATOM 702 O PRO A 48 12.071 4.408 -8.399 1.00 10.00 O ATOM 703 CB PRO A 48 14.094 3.530 -6.713 1.00 10.00 C ATOM 704 CG PRO A 48 14.690 2.187 -6.456 1.00 10.00 C ATOM 705 CD PRO A 48 13.559 1.201 -6.302 1.00 10.00 C ATOM 0 HA PRO A 48 12.443 3.837 -5.269 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.163 3.790 -7.769 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.625 4.304 -6.159 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.342 1.895 -7.279 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.304 2.208 -5.555 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.565 0.463 -7.104 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.638 0.652 -5.364 1.00 10.00 H new ATOM 713 N GLY A 49 10.674 4.819 -6.686 1.00 10.00 N ATOM 714 CA GLY A 49 9.825 5.650 -7.514 1.00 10.00 C ATOM 715 C GLY A 49 8.719 4.856 -8.158 1.00 10.00 C ATOM 716 O GLY A 49 8.062 5.327 -9.088 1.00 10.00 O ATOM 0 H GLY A 49 10.364 4.700 -5.722 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.394 6.447 -6.908 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.427 6.127 -8.287 1.00 10.00 H new ATOM 720 N GLY A 50 8.520 3.644 -7.669 1.00 10.00 N ATOM 721 CA GLY A 50 7.496 2.785 -8.204 1.00 10.00 C ATOM 722 C GLY A 50 6.216 2.829 -7.403 1.00 10.00 C ATOM 723 O GLY A 50 6.061 3.655 -6.502 1.00 10.00 O ATOM 0 H GLY A 50 9.058 3.239 -6.903 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.285 3.076 -9.233 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.866 1.760 -8.232 1.00 10.00 H new ATOM 727 N TRP A 51 5.310 1.920 -7.724 1.00 10.00 N ATOM 728 CA TRP A 51 4.012 1.853 -7.074 1.00 10.00 C ATOM 729 C TRP A 51 3.791 0.507 -6.418 1.00 10.00 C ATOM 730 O TRP A 51 4.513 -0.456 -6.667 1.00 10.00 O ATOM 731 CB TRP A 51 2.882 2.090 -8.083 1.00 10.00 C ATOM 732 CG TRP A 51 2.513 3.530 -8.277 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.240 4.630 -7.934 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.301 4.019 -8.865 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.550 5.771 -8.277 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.361 5.418 -8.849 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.176 3.403 -9.404 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.334 6.214 -9.352 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.846 4.188 -9.902 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.760 5.582 -9.873 1.00 10.00 C ATOM 0 H TRP A 51 5.453 1.209 -8.441 1.00 10.00 H new ATOM 0 HA TRP A 51 4.000 2.633 -6.313 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.177 1.671 -9.045 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.998 1.543 -7.755 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.212 4.610 -7.464 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.875 6.726 -8.128 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.103 2.326 -9.433 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.400 7.292 -9.331 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.724 3.717 -10.320 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.573 6.171 -10.270 1.00 10.00 H new ATOM 751 N ALA A 52 2.775 0.466 -5.582 1.00 10.00 N ATOM 752 CA ALA A 52 2.298 -0.765 -5.004 1.00 10.00 C ATOM 753 C ALA A 52 0.791 -0.690 -4.917 1.00 10.00 C ATOM 754 O ALA A 52 0.246 0.099 -4.158 1.00 10.00 O ATOM 755 CB ALA A 52 2.925 -1.010 -3.634 1.00 10.00 C ATOM 0 H ALA A 52 2.256 1.292 -5.285 1.00 10.00 H new ATOM 0 HA ALA A 52 2.587 -1.608 -5.632 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.546 -1.946 -3.223 1.00 10.00 H new ATOM 0 HB2 ALA A 52 4.009 -1.070 -3.735 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.668 -0.189 -2.964 1.00 10.00 H new ATOM 761 N THR A 53 0.133 -1.473 -5.741 1.00 10.00 N ATOM 762 CA THR A 53 -1.313 -1.458 -5.815 1.00 10.00 C ATOM 763 C THR A 53 -1.912 -2.240 -4.670 1.00 10.00 C ATOM 764 O THR A 53 -1.539 -3.386 -4.414 1.00 10.00 O ATOM 765 CB THR A 53 -1.780 -2.063 -7.150 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.184 -1.346 -8.245 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.297 -2.047 -7.267 1.00 10.00 C ATOM 0 H THR A 53 0.580 -2.135 -6.376 1.00 10.00 H new ATOM 0 HA THR A 53 -1.648 -0.423 -5.749 1.00 10.00 H new ATOM 0 HB THR A 53 -1.458 -3.104 -7.184 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.889 -0.947 -8.797 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.593 -2.481 -8.222 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.731 -2.629 -6.454 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.656 -1.019 -7.209 1.00 10.00 H new ATOM 775 N PHE A 54 -2.852 -1.619 -3.990 1.00 10.00 N ATOM 776 CA PHE A 54 -3.478 -2.242 -2.853 1.00 10.00 C ATOM 777 C PHE A 54 -4.963 -1.995 -2.934 1.00 10.00 C ATOM 778 O PHE A 54 -5.390 -0.990 -3.507 1.00 10.00 O ATOM 779 CB PHE A 54 -2.878 -1.720 -1.539 1.00 10.00 C ATOM 780 CG PHE A 54 -1.440 -2.109 -1.352 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.067 -3.444 -1.301 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.450 -1.138 -1.228 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.251 -3.795 -1.131 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.868 -1.492 -1.055 1.00 10.00 C ATOM 785 CZ PHE A 54 1.216 -2.835 -1.006 1.00 10.00 C ATOM 0 H PHE A 54 -3.196 -0.684 -4.208 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.295 -3.316 -2.867 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -2.960 -0.633 -1.516 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.463 -2.102 -0.702 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.818 -4.214 -1.396 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.720 -0.093 -1.268 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.527 -4.839 -1.096 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.627 -0.730 -0.958 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.248 -3.121 -0.869 1.00 10.00 H new ATOM 795 N ALA A 55 -5.741 -2.927 -2.404 1.00 10.00 N ATOM 796 CA ALA A 55 -7.188 -2.883 -2.548 1.00 10.00 C ATOM 797 C ALA A 55 -7.768 -1.647 -1.882 1.00 10.00 C ATOM 798 O ALA A 55 -7.967 -1.614 -0.666 1.00 10.00 O ATOM 799 CB ALA A 55 -7.828 -4.150 -1.994 1.00 10.00 C ATOM 0 H ALA A 55 -5.394 -3.724 -1.870 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.416 -2.826 -3.612 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -8.910 -4.093 -2.113 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.448 -5.016 -2.536 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.584 -4.248 -0.936 1.00 10.00 H new ATOM 805 N GLY A 56 -8.006 -0.622 -2.690 1.00 10.00 N ATOM 806 CA GLY A 56 -8.596 0.592 -2.184 1.00 10.00 C ATOM 807 C GLY A 56 -10.030 0.359 -1.738 1.00 10.00 C ATOM 808 O GLY A 56 -10.544 -0.756 -1.865 1.00 10.00 O ATOM 0 H GLY A 56 -7.799 -0.614 -3.689 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.007 0.964 -1.346 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.572 1.361 -2.956 1.00 10.00 H new ATOM 812 N TYR A 57 -10.709 1.401 -1.276 1.00 10.00 N ATOM 813 CA TYR A 57 -12.027 1.218 -0.700 1.00 10.00 C ATOM 814 C TYR A 57 -13.085 1.080 -1.798 1.00 10.00 C ATOM 815 O TYR A 57 -13.655 2.052 -2.295 1.00 10.00 O ATOM 816 CB TYR A 57 -12.353 2.347 0.297 1.00 10.00 C ATOM 817 CG TYR A 57 -12.498 3.734 -0.313 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.401 4.405 -0.842 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.737 4.368 -0.362 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.533 5.661 -1.401 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.874 5.626 -0.920 1.00 10.00 C ATOM 822 CZ TYR A 57 -12.770 6.266 -1.438 1.00 10.00 C ATOM 823 OH TYR A 57 -12.902 7.516 -1.999 1.00 10.00 O ATOM 0 H TYR A 57 -10.373 2.364 -1.289 1.00 10.00 H new ATOM 0 HA TYR A 57 -12.035 0.287 -0.134 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.280 2.097 0.813 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.567 2.381 1.052 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.429 3.936 -0.815 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.605 3.869 0.042 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.670 6.167 -1.808 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.842 6.104 -0.949 1.00 10.00 H new ATOM 0 HH TYR A 57 -13.838 7.801 -1.947 1.00 10.00 H new ATOM 887 N TYR A 63 -10.665 -0.788 3.217 1.00 10.00 N ATOM 888 CA TYR A 63 -10.033 0.489 2.976 1.00 10.00 C ATOM 889 C TYR A 63 -8.698 0.518 3.694 1.00 10.00 C ATOM 890 O TYR A 63 -8.655 0.397 4.917 1.00 10.00 O ATOM 891 CB TYR A 63 -10.923 1.639 3.465 1.00 10.00 C ATOM 892 CG TYR A 63 -10.250 2.992 3.401 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.742 3.481 2.204 1.00 10.00 C ATOM 894 CD2 TYR A 63 -10.126 3.782 4.539 1.00 10.00 C ATOM 895 CE1 TYR A 63 -9.127 4.716 2.143 1.00 10.00 C ATOM 896 CE2 TYR A 63 -9.513 5.018 4.485 1.00 10.00 C ATOM 897 CZ TYR A 63 -9.010 5.478 3.281 1.00 10.00 C ATOM 898 OH TYR A 63 -8.404 6.713 3.234 1.00 10.00 O ATOM 0 HA TYR A 63 -9.880 0.617 1.904 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.832 1.665 2.864 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -11.226 1.441 4.493 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.829 2.886 1.307 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -10.516 3.423 5.480 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.739 5.082 1.204 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -9.427 5.622 5.376 1.00 10.00 H new ATOM 0 HH TYR A 63 -8.409 7.114 4.128 1.00 10.00 H new ATOM 908 N VAL A 64 -7.614 0.616 2.937 1.00 10.00 N ATOM 909 CA VAL A 64 -6.287 0.713 3.523 1.00 10.00 C ATOM 910 C VAL A 64 -6.224 1.959 4.405 1.00 10.00 C ATOM 911 O VAL A 64 -6.646 3.045 3.999 1.00 10.00 O ATOM 912 CB VAL A 64 -5.155 0.728 2.443 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.722 0.562 1.030 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.334 2.002 2.523 1.00 10.00 C ATOM 0 H VAL A 64 -7.629 0.630 1.917 1.00 10.00 H new ATOM 0 HA VAL A 64 -6.113 -0.177 4.128 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.505 -0.121 2.654 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.907 0.577 0.307 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.252 -0.388 0.960 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.412 1.379 0.816 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.556 1.982 1.760 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.982 2.863 2.358 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.874 2.077 3.508 1.00 10.00 H new ATOM 924 N THR A 65 -5.753 1.790 5.624 1.00 10.00 N ATOM 925 CA THR A 65 -5.702 2.892 6.560 1.00 10.00 C ATOM 926 C THR A 65 -4.286 3.142 7.056 1.00 10.00 C ATOM 927 O THR A 65 -3.929 4.271 7.399 1.00 10.00 O ATOM 928 CB THR A 65 -6.623 2.637 7.779 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.287 1.380 8.381 1.00 10.00 O ATOM 930 CG2 THR A 65 -8.096 2.618 7.388 1.00 10.00 C ATOM 0 H THR A 65 -5.402 0.904 5.987 1.00 10.00 H new ATOM 0 HA THR A 65 -6.050 3.773 6.021 1.00 10.00 H new ATOM 0 HB THR A 65 -6.468 3.455 8.483 1.00 10.00 H new ATOM 0 HG1 THR A 65 -6.869 1.221 9.153 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.705 2.436 8.273 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.369 3.578 6.951 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.269 1.826 6.660 1.00 10.00 H new ATOM 938 N GLY A 66 -3.474 2.098 7.100 1.00 10.00 N ATOM 939 CA GLY A 66 -2.134 2.262 7.617 1.00 10.00 C ATOM 940 C GLY A 66 -1.086 1.526 6.823 1.00 10.00 C ATOM 941 O GLY A 66 -1.150 0.311 6.669 1.00 10.00 O ATOM 0 H GLY A 66 -3.713 1.155 6.793 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.887 3.324 7.632 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.107 1.913 8.649 1.00 10.00 H new ATOM 945 N LEU A 67 -0.120 2.272 6.323 1.00 10.00 N ATOM 946 CA LEU A 67 1.043 1.689 5.681 1.00 10.00 C ATOM 947 C LEU A 67 2.065 1.327 6.745 1.00 10.00 C ATOM 948 O LEU A 67 2.164 1.979 7.779 1.00 10.00 O ATOM 949 CB LEU A 67 1.666 2.647 4.652 1.00 10.00 C ATOM 950 CG LEU A 67 1.218 2.458 3.202 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.506 3.711 2.412 1.00 10.00 C ATOM 952 CD2 LEU A 67 1.942 1.297 2.547 1.00 10.00 C ATOM 0 H LEU A 67 -0.118 3.292 6.350 1.00 10.00 H new ATOM 0 HA LEU A 67 0.729 0.795 5.142 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.437 3.670 4.952 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.750 2.538 4.694 1.00 10.00 H new ATOM 0 HG LEU A 67 0.148 2.248 3.210 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.185 3.572 1.380 1.00 10.00 H new ATOM 0 HD12 LEU A 67 0.965 4.550 2.850 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.576 3.918 2.435 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.601 1.190 1.517 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.015 1.486 2.556 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.731 0.380 3.097 1.00 10.00 H new ATOM 964 N HIS A 68 2.792 0.270 6.500 1.00 10.00 N ATOM 965 CA HIS A 68 3.777 -0.225 7.438 1.00 10.00 C ATOM 966 C HIS A 68 5.038 -0.635 6.697 1.00 10.00 C ATOM 967 O HIS A 68 4.977 -0.925 5.509 1.00 10.00 O ATOM 968 CB HIS A 68 3.219 -1.442 8.147 1.00 10.00 C ATOM 969 CG HIS A 68 2.440 -1.157 9.393 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.823 -1.595 10.642 1.00 10.00 N ATOM 971 CD2 HIS A 68 1.267 -0.503 9.572 1.00 10.00 C ATOM 972 CE1 HIS A 68 1.922 -1.223 11.532 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.966 -0.560 10.909 1.00 10.00 N ATOM 0 H HIS A 68 2.721 -0.278 5.642 1.00 10.00 H new ATOM 0 HA HIS A 68 4.012 0.561 8.156 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.576 -1.983 7.453 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.046 -2.106 8.399 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.678 -0.025 8.804 1.00 10.00 H new ATOM 0 HE1 HIS A 68 1.961 -1.427 12.592 1.00 10.00 H new ATOM 0 HE2 HIS A 68 0.139 -0.156 11.349 1.00 10.00 H new ATOM 982 N THR A 69 6.176 -0.654 7.368 1.00 10.00 N ATOM 983 CA THR A 69 7.384 -1.151 6.734 1.00 10.00 C ATOM 984 C THR A 69 7.418 -2.672 6.821 1.00 10.00 C ATOM 985 O THR A 69 7.241 -3.241 7.900 1.00 10.00 O ATOM 986 CB THR A 69 8.655 -0.576 7.373 1.00 10.00 C ATOM 987 OG1 THR A 69 8.312 0.494 8.271 1.00 10.00 O ATOM 988 CG2 THR A 69 9.599 -0.056 6.300 1.00 10.00 C ATOM 0 H THR A 69 6.289 -0.338 8.331 1.00 10.00 H new ATOM 0 HA THR A 69 7.363 -0.829 5.693 1.00 10.00 H new ATOM 0 HB THR A 69 9.153 -1.370 7.929 1.00 10.00 H new ATOM 0 HG1 THR A 69 9.128 0.855 8.676 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.496 0.349 6.769 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.876 -0.872 5.632 1.00 10.00 H new ATOM 0 HG23 THR A 69 9.103 0.729 5.728 1.00 10.00 H new ATOM 996 N CYS A 70 7.616 -3.328 5.693 1.00 10.00 N ATOM 997 CA CYS A 70 7.622 -4.775 5.668 1.00 10.00 C ATOM 998 C CYS A 70 9.052 -5.305 5.650 1.00 10.00 C ATOM 999 O CYS A 70 10.003 -4.541 5.476 1.00 10.00 O ATOM 1000 CB CYS A 70 6.840 -5.332 4.473 1.00 10.00 C ATOM 1001 SG CYS A 70 6.283 -7.053 4.733 1.00 10.00 S ATOM 0 H CYS A 70 7.774 -2.884 4.788 1.00 10.00 H new ATOM 0 HA CYS A 70 7.125 -5.114 6.577 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.973 -4.699 4.285 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.466 -5.288 3.582 1.00 10.00 H new ATOM 1006 N ASP A 71 9.194 -6.610 5.811 1.00 10.00 N ATOM 1007 CA ASP A 71 10.491 -7.259 5.733 1.00 10.00 C ATOM 1008 C ASP A 71 10.381 -8.508 4.878 1.00 10.00 C ATOM 1009 O ASP A 71 9.334 -9.143 4.879 1.00 10.00 O ATOM 1010 CB ASP A 71 11.018 -7.630 7.127 1.00 10.00 C ATOM 1011 CG ASP A 71 10.072 -8.503 7.928 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.002 -8.009 8.348 1.00 10.00 O ATOM 1013 OD2 ASP A 71 10.407 -9.680 8.161 1.00 10.00 O ATOM 0 H ASP A 71 8.419 -7.246 5.998 1.00 10.00 H new ATOM 0 HA ASP A 71 11.195 -6.560 5.282 1.00 10.00 H new ATOM 0 HB2 ASP A 71 11.971 -8.148 7.019 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.214 -6.715 7.686 1.00 10.00 H new