USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 415 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 38 TYR OH : rot -81:sc= -0.254 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.342 K(o=-0.6,f=-1.8) USER MOD Single : A 6 SER OG : rot 41:sc= 0.0971 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 20 ASN : amide:sc= 0.113 K(o=0.11,f=-5.4!) USER MOD Single : A 22 ASN : amide:sc= -0.328 K(o=-0.33,f=-5.7!) USER MOD Single : A 25 TYR OH : rot -17:sc= 0.137 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.609 K(o=-0.61,f=-8.8!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -112:sc= 0.473 USER MOD Single : A 44 ASN : amide:sc= -0.032 K(o=-0.032,f=-3) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.23 F(o=-1.4,f=-0.23) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 50 SER OG : rot 180:sc= 0.1 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 6 45.984 10.412 7.607 1.00 0.00 N ATOM 77 CA SER A 6 47.437 10.241 7.903 1.00 0.00 C ATOM 78 C SER A 6 47.829 8.766 7.782 1.00 0.00 C ATOM 79 O SER A 6 48.719 8.293 8.464 1.00 0.00 O ATOM 80 CB SER A 6 47.605 10.725 9.342 1.00 0.00 C ATOM 81 OG SER A 6 47.318 12.116 9.405 1.00 0.00 O ATOM 0 HA SER A 6 48.070 10.795 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 46.937 10.174 10.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 48.622 10.536 9.685 1.00 0.00 H new ATOM 0 HG SER A 6 46.539 12.315 8.845 1.00 0.00 H new ATOM 87 N TRP A 7 47.169 8.039 6.917 1.00 0.00 N ATOM 88 CA TRP A 7 47.494 6.590 6.741 1.00 0.00 C ATOM 89 C TRP A 7 47.188 6.138 5.306 1.00 0.00 C ATOM 90 O TRP A 7 46.993 4.965 5.047 1.00 0.00 O ATOM 91 CB TRP A 7 46.602 5.849 7.749 1.00 0.00 C ATOM 92 CG TRP A 7 45.158 6.158 7.487 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.494 7.230 7.978 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.197 5.413 6.685 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.187 7.190 7.528 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.955 6.089 6.728 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.281 4.228 5.932 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.836 5.607 6.049 1.00 0.00 C ATOM 99 CZ3 TRP A 7 43.156 3.740 5.246 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.936 4.429 5.305 1.00 0.00 C ATOM 0 H TRP A 7 46.417 8.387 6.323 1.00 0.00 H new ATOM 0 HA TRP A 7 48.551 6.386 6.912 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.771 4.775 7.674 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.866 6.143 8.765 1.00 0.00 H new ATOM 0 HD1 TRP A 7 44.916 7.992 8.617 1.00 0.00 H new ATOM 0 HE1 TRP A 7 42.481 7.889 7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 7 45.216 3.690 5.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.899 6.141 6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.231 2.829 4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 7 41.075 4.049 4.776 1.00 0.00 H new ATOM 111 N CYS A 8 47.149 7.059 4.373 1.00 0.00 N ATOM 112 CA CYS A 8 46.861 6.688 2.954 1.00 0.00 C ATOM 113 C CYS A 8 48.122 6.868 2.104 1.00 0.00 C ATOM 114 O CYS A 8 48.457 6.031 1.289 1.00 0.00 O ATOM 115 CB CYS A 8 45.763 7.663 2.502 1.00 0.00 C ATOM 116 SG CYS A 8 44.182 6.791 2.342 1.00 0.00 S ATOM 0 H CYS A 8 47.305 8.054 4.535 1.00 0.00 H new ATOM 0 HA CYS A 8 46.548 5.649 2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.668 8.475 3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 8 46.037 8.114 1.548 1.00 0.00 H new ATOM 121 N LEU A 9 48.820 7.956 2.297 1.00 0.00 N ATOM 122 CA LEU A 9 50.067 8.205 1.512 1.00 0.00 C ATOM 123 C LEU A 9 51.241 7.402 2.092 1.00 0.00 C ATOM 124 O LEU A 9 52.268 7.254 1.457 1.00 0.00 O ATOM 125 CB LEU A 9 50.319 9.709 1.638 1.00 0.00 C ATOM 126 CG LEU A 9 49.274 10.468 0.817 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.991 11.822 1.470 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.804 10.685 -0.601 1.00 0.00 C ATOM 0 H LEU A 9 48.580 8.686 2.967 1.00 0.00 H new ATOM 0 HA LEU A 9 49.967 7.895 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.266 10.012 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.321 9.952 1.286 1.00 0.00 H new ATOM 0 HG LEU A 9 48.352 9.888 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 9 48.247 12.360 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.614 11.667 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.911 12.405 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.062 11.225 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.726 11.265 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 9 50.002 9.720 -1.067 1.00 0.00 H new ATOM 140 N THR A 10 51.100 6.877 3.290 1.00 0.00 N ATOM 141 CA THR A 10 52.212 6.079 3.910 1.00 0.00 C ATOM 142 C THR A 10 52.679 4.962 2.946 1.00 0.00 C ATOM 143 O THR A 10 51.888 4.484 2.157 1.00 0.00 O ATOM 144 CB THR A 10 51.605 5.470 5.184 1.00 0.00 C ATOM 145 OG1 THR A 10 52.584 4.683 5.845 1.00 0.00 O ATOM 146 CG2 THR A 10 50.402 4.590 4.825 1.00 0.00 C ATOM 0 H THR A 10 50.263 6.967 3.865 1.00 0.00 H new ATOM 0 HA THR A 10 53.085 6.694 4.127 1.00 0.00 H new ATOM 0 HB THR A 10 51.275 6.275 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.198 4.296 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.979 4.163 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.647 5.194 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.724 3.786 4.163 1.00 0.00 H new ATOM 154 N PRO A 11 53.944 4.570 3.022 1.00 0.00 N ATOM 155 CA PRO A 11 54.448 3.503 2.122 1.00 0.00 C ATOM 156 C PRO A 11 53.694 2.193 2.373 1.00 0.00 C ATOM 157 O PRO A 11 53.151 1.975 3.441 1.00 0.00 O ATOM 158 CB PRO A 11 55.922 3.381 2.522 1.00 0.00 C ATOM 159 CG PRO A 11 56.215 4.388 3.650 1.00 0.00 C ATOM 160 CD PRO A 11 54.926 5.148 3.983 1.00 0.00 C ATOM 0 HA PRO A 11 54.314 3.724 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.140 2.366 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.564 3.579 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.585 3.868 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.994 5.085 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.620 4.991 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.043 6.223 3.844 1.00 0.00 H new ATOM 168 N ALA A 12 53.657 1.322 1.396 1.00 0.00 N ATOM 169 CA ALA A 12 52.936 0.023 1.571 1.00 0.00 C ATOM 170 C ALA A 12 53.643 -0.833 2.625 1.00 0.00 C ATOM 171 O ALA A 12 54.614 -1.508 2.338 1.00 0.00 O ATOM 172 CB ALA A 12 52.988 -0.656 0.202 1.00 0.00 C ATOM 0 H ALA A 12 54.095 1.454 0.484 1.00 0.00 H new ATOM 0 HA ALA A 12 51.910 0.165 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.477 -1.618 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.497 -0.023 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.027 -0.812 -0.087 1.00 0.00 H new ATOM 178 N ASP A 13 53.160 -0.806 3.840 1.00 0.00 N ATOM 179 CA ASP A 13 53.799 -1.615 4.924 1.00 0.00 C ATOM 180 C ASP A 13 53.500 -3.104 4.719 1.00 0.00 C ATOM 181 O ASP A 13 52.356 -3.513 4.667 1.00 0.00 O ATOM 182 CB ASP A 13 53.165 -1.110 6.228 1.00 0.00 C ATOM 183 CG ASP A 13 54.258 -0.839 7.264 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.890 -1.790 7.692 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.446 0.316 7.610 1.00 0.00 O ATOM 0 H ASP A 13 52.350 -0.258 4.130 1.00 0.00 H new ATOM 0 HA ASP A 13 54.884 -1.508 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.597 -0.199 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.462 -1.850 6.612 1.00 0.00 H new ATOM 190 N ARG A 14 54.524 -3.911 4.601 1.00 0.00 N ATOM 191 CA ARG A 14 54.309 -5.378 4.396 1.00 0.00 C ATOM 192 C ARG A 14 53.956 -6.054 5.724 1.00 0.00 C ATOM 193 O ARG A 14 52.891 -6.619 5.878 1.00 0.00 O ATOM 194 CB ARG A 14 55.642 -5.907 3.864 1.00 0.00 C ATOM 195 CG ARG A 14 55.751 -5.606 2.368 1.00 0.00 C ATOM 196 CD ARG A 14 57.223 -5.417 1.992 1.00 0.00 C ATOM 197 NE ARG A 14 57.207 -4.616 0.735 1.00 0.00 N ATOM 198 CZ ARG A 14 58.309 -4.448 0.057 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.063 -5.475 -0.225 1.00 0.00 N ATOM 200 NH2 ARG A 14 58.658 -3.255 -0.339 1.00 0.00 N ATOM 0 H ARG A 14 55.500 -3.618 4.638 1.00 0.00 H new ATOM 0 HA ARG A 14 53.487 -5.580 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.470 -5.443 4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 14 55.714 -6.981 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.319 -6.422 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.184 -4.707 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 14 57.768 -4.899 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 14 57.717 -6.377 1.841 1.00 0.00 H new ATOM 0 HE ARG A 14 56.336 -4.200 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.791 -6.408 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.925 -5.345 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.069 -2.452 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 14 59.520 -3.125 -0.869 1.00 0.00 H new ATOM 214 N GLY A 15 54.848 -6.001 6.682 1.00 0.00 N ATOM 215 CA GLY A 15 54.573 -6.640 8.004 1.00 0.00 C ATOM 216 C GLY A 15 55.867 -7.236 8.561 1.00 0.00 C ATOM 217 O GLY A 15 56.879 -6.565 8.652 1.00 0.00 O ATOM 0 H GLY A 15 55.756 -5.542 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 15 54.170 -5.903 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 15 53.819 -7.419 7.893 1.00 0.00 H new ATOM 221 N LEU A 16 55.841 -8.491 8.932 1.00 0.00 N ATOM 222 CA LEU A 16 57.069 -9.140 9.484 1.00 0.00 C ATOM 223 C LEU A 16 56.958 -10.665 9.376 1.00 0.00 C ATOM 224 O LEU A 16 57.544 -11.393 10.156 1.00 0.00 O ATOM 225 CB LEU A 16 57.123 -8.707 10.956 1.00 0.00 C ATOM 226 CG LEU A 16 58.292 -7.741 11.169 1.00 0.00 C ATOM 227 CD1 LEU A 16 58.161 -7.077 12.542 1.00 0.00 C ATOM 228 CD2 LEU A 16 59.609 -8.516 11.102 1.00 0.00 C ATOM 0 H LEU A 16 55.021 -9.095 8.876 1.00 0.00 H new ATOM 0 HA LEU A 16 57.968 -8.848 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.186 -8.227 11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 16 57.239 -9.580 11.598 1.00 0.00 H new ATOM 0 HG LEU A 16 58.279 -6.976 10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 16 58.993 -6.389 12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.221 -6.527 12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 58.175 -7.842 13.319 1.00 0.00 H new ATOM 0 HD21 LEU A 16 60.443 -7.830 11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 59.622 -9.280 11.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 59.702 -8.991 10.125 1.00 0.00 H new ATOM 240 N CYS A 17 56.215 -11.151 8.413 1.00 0.00 N ATOM 241 CA CYS A 17 56.066 -12.629 8.248 1.00 0.00 C ATOM 242 C CYS A 17 56.363 -13.030 6.802 1.00 0.00 C ATOM 243 O CYS A 17 56.864 -12.243 6.022 1.00 0.00 O ATOM 244 CB CYS A 17 54.608 -12.922 8.604 1.00 0.00 C ATOM 245 SG CYS A 17 54.475 -13.260 10.379 1.00 0.00 S ATOM 0 H CYS A 17 55.705 -10.587 7.733 1.00 0.00 H new ATOM 0 HA CYS A 17 56.757 -13.189 8.878 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.980 -12.072 8.337 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.248 -13.777 8.032 1.00 0.00 H new ATOM 250 N ARG A 18 56.060 -14.253 6.442 1.00 0.00 N ATOM 251 CA ARG A 18 56.325 -14.719 5.047 1.00 0.00 C ATOM 252 C ARG A 18 55.011 -15.075 4.347 1.00 0.00 C ATOM 253 O ARG A 18 54.917 -16.080 3.666 1.00 0.00 O ATOM 254 CB ARG A 18 57.199 -15.963 5.206 1.00 0.00 C ATOM 255 CG ARG A 18 58.650 -15.544 5.451 1.00 0.00 C ATOM 256 CD ARG A 18 59.377 -15.417 4.111 1.00 0.00 C ATOM 257 NE ARG A 18 60.551 -14.543 4.391 1.00 0.00 N ATOM 258 CZ ARG A 18 61.759 -14.977 4.154 1.00 0.00 C ATOM 259 NH1 ARG A 18 62.203 -16.037 4.772 1.00 0.00 N ATOM 260 NH2 ARG A 18 62.520 -14.352 3.299 1.00 0.00 N ATOM 0 H ARG A 18 55.639 -14.950 7.057 1.00 0.00 H new ATOM 0 HA ARG A 18 56.809 -13.953 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.839 -16.568 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.135 -16.582 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.680 -14.594 5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.151 -16.280 6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.691 -16.392 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.730 -14.978 3.351 1.00 0.00 H new ATOM 0 HE ARG A 18 60.411 -13.606 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.606 -16.526 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 18 63.147 -16.377 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 18 62.171 -13.524 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 18 63.464 -14.691 3.114 1.00 0.00 H new ATOM 274 N ALA A 19 54.000 -14.261 4.508 1.00 0.00 N ATOM 275 CA ALA A 19 52.689 -14.548 3.852 1.00 0.00 C ATOM 276 C ALA A 19 52.634 -13.895 2.470 1.00 0.00 C ATOM 277 O ALA A 19 52.745 -12.691 2.339 1.00 0.00 O ATOM 278 CB ALA A 19 51.639 -13.934 4.777 1.00 0.00 C ATOM 0 H ALA A 19 54.026 -13.408 5.067 1.00 0.00 H new ATOM 0 HA ALA A 19 52.527 -15.616 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 19 50.645 -14.103 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.705 -14.398 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.816 -12.862 4.868 1.00 0.00 H new ATOM 284 N ASN A 20 52.463 -14.684 1.440 1.00 0.00 N ATOM 285 CA ASN A 20 52.398 -14.118 0.057 1.00 0.00 C ATOM 286 C ASN A 20 50.966 -13.679 -0.268 1.00 0.00 C ATOM 287 O ASN A 20 50.287 -14.291 -1.072 1.00 0.00 O ATOM 288 CB ASN A 20 52.846 -15.256 -0.870 1.00 0.00 C ATOM 289 CG ASN A 20 51.915 -16.463 -0.713 1.00 0.00 C ATOM 290 OD1 ASN A 20 51.754 -16.982 0.374 1.00 0.00 O ATOM 291 ND2 ASN A 20 51.291 -16.932 -1.758 1.00 0.00 N ATOM 0 H ASN A 20 52.365 -15.698 1.496 1.00 0.00 H new ATOM 0 HA ASN A 20 53.031 -13.238 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.840 -14.915 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.871 -15.545 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 20 50.668 -17.734 -1.663 1.00 0.00 H new ATOM 0 HD22 ASN A 20 51.426 -16.497 -2.671 1.00 0.00 H new ATOM 298 N GLU A 21 50.503 -12.626 0.356 1.00 0.00 N ATOM 299 CA GLU A 21 49.115 -12.144 0.094 1.00 0.00 C ATOM 300 C GLU A 21 49.109 -11.129 -1.052 1.00 0.00 C ATOM 301 O GLU A 21 50.113 -10.897 -1.696 1.00 0.00 O ATOM 302 CB GLU A 21 48.674 -11.480 1.399 1.00 0.00 C ATOM 303 CG GLU A 21 47.789 -12.444 2.193 1.00 0.00 C ATOM 304 CD GLU A 21 47.300 -11.755 3.468 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.910 -10.602 3.383 1.00 0.00 O ATOM 306 OE2 GLU A 21 47.321 -12.392 4.507 1.00 0.00 O ATOM 0 H GLU A 21 51.029 -12.078 1.037 1.00 0.00 H new ATOM 0 HA GLU A 21 48.448 -12.954 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.547 -11.201 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.128 -10.562 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 46.939 -12.757 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 21 48.349 -13.344 2.445 1.00 0.00 H new ATOM 313 N ASN A 22 47.976 -10.526 -1.303 1.00 0.00 N ATOM 314 CA ASN A 22 47.878 -9.518 -2.401 1.00 0.00 C ATOM 315 C ASN A 22 46.924 -8.395 -1.982 1.00 0.00 C ATOM 316 O ASN A 22 45.771 -8.373 -2.369 1.00 0.00 O ATOM 317 CB ASN A 22 47.312 -10.289 -3.595 1.00 0.00 C ATOM 318 CG ASN A 22 47.656 -9.554 -4.892 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.901 -8.363 -4.885 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.682 -10.218 -6.016 1.00 0.00 N ATOM 0 H ASN A 22 47.109 -10.690 -0.791 1.00 0.00 H new ATOM 0 HA ASN A 22 48.837 -9.057 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.724 -11.298 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.231 -10.388 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 22 47.908 -9.738 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 22 47.477 -11.217 -6.023 1.00 0.00 H new ATOM 327 N ARG A 23 47.399 -7.473 -1.185 1.00 0.00 N ATOM 328 CA ARG A 23 46.522 -6.352 -0.723 1.00 0.00 C ATOM 329 C ARG A 23 46.599 -5.173 -1.699 1.00 0.00 C ATOM 330 O ARG A 23 47.563 -5.018 -2.422 1.00 0.00 O ATOM 331 CB ARG A 23 47.077 -5.959 0.647 1.00 0.00 C ATOM 332 CG ARG A 23 46.679 -7.014 1.684 1.00 0.00 C ATOM 333 CD ARG A 23 45.406 -6.570 2.409 1.00 0.00 C ATOM 334 NE ARG A 23 45.459 -7.253 3.732 1.00 0.00 N ATOM 335 CZ ARG A 23 44.375 -7.771 4.245 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.830 -8.821 3.695 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.837 -7.239 5.309 1.00 0.00 N ATOM 0 H ARG A 23 48.356 -7.447 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 23 45.473 -6.643 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.163 -5.872 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.692 -4.982 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.515 -7.974 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.487 -7.156 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.375 -5.487 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.514 -6.857 1.852 1.00 0.00 H new ATOM 0 HE ARG A 23 46.343 -7.316 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.250 -9.238 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.984 -9.225 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 23 44.263 -6.419 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.991 -7.644 5.709 1.00 0.00 H new ATOM 351 N PHE A 24 45.582 -4.346 -1.727 1.00 0.00 N ATOM 352 CA PHE A 24 45.583 -3.172 -2.654 1.00 0.00 C ATOM 353 C PHE A 24 46.164 -1.932 -1.959 1.00 0.00 C ATOM 354 O PHE A 24 45.521 -1.319 -1.129 1.00 0.00 O ATOM 355 CB PHE A 24 44.114 -2.953 -3.016 1.00 0.00 C ATOM 356 CG PHE A 24 43.749 -3.841 -4.183 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.565 -5.214 -3.987 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.596 -3.290 -5.461 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.229 -6.038 -5.068 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.260 -4.113 -6.543 1.00 0.00 C ATOM 361 CZ PHE A 24 43.077 -5.486 -6.346 1.00 0.00 C ATOM 0 H PHE A 24 44.749 -4.434 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 24 46.199 -3.347 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.479 -3.179 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.943 -1.908 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.682 -5.639 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.737 -2.230 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.087 -7.098 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.142 -3.688 -7.529 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.818 -6.121 -7.180 1.00 0.00 H new ATOM 371 N TYR A 25 47.374 -1.558 -2.299 1.00 0.00 N ATOM 372 CA TYR A 25 48.004 -0.355 -1.670 1.00 0.00 C ATOM 373 C TYR A 25 47.681 0.896 -2.502 1.00 0.00 C ATOM 374 O TYR A 25 47.797 0.893 -3.711 1.00 0.00 O ATOM 375 CB TYR A 25 49.513 -0.675 -1.666 1.00 0.00 C ATOM 376 CG TYR A 25 50.348 0.569 -1.438 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.532 1.061 -0.143 1.00 0.00 C ATOM 378 CD2 TYR A 25 50.941 1.219 -2.526 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.310 2.205 0.066 1.00 0.00 C ATOM 380 CE2 TYR A 25 51.719 2.363 -2.318 1.00 0.00 C ATOM 381 CZ TYR A 25 51.904 2.857 -1.023 1.00 0.00 C ATOM 382 OH TYR A 25 52.674 3.984 -0.817 1.00 0.00 O ATOM 0 H TYR A 25 47.954 -2.036 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 25 47.640 -0.148 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.728 -1.406 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.791 -1.131 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 25 50.074 0.558 0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 25 50.798 0.838 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 25 51.453 2.586 1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.177 2.865 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 25 52.491 4.346 0.075 1.00 0.00 H new ATOM 392 N TYR A 26 47.286 1.964 -1.856 1.00 0.00 N ATOM 393 CA TYR A 26 46.962 3.219 -2.599 1.00 0.00 C ATOM 394 C TYR A 26 48.253 3.917 -3.037 1.00 0.00 C ATOM 395 O TYR A 26 49.001 4.421 -2.221 1.00 0.00 O ATOM 396 CB TYR A 26 46.191 4.089 -1.604 1.00 0.00 C ATOM 397 CG TYR A 26 45.738 5.357 -2.289 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.530 5.378 -2.995 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.528 6.510 -2.217 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.111 6.554 -3.631 1.00 0.00 C ATOM 401 CE2 TYR A 26 46.110 7.686 -2.854 1.00 0.00 C ATOM 402 CZ TYR A 26 44.901 7.707 -3.560 1.00 0.00 C ATOM 403 OH TYR A 26 44.490 8.865 -4.186 1.00 0.00 O ATOM 0 H TYR A 26 47.174 2.021 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 26 46.380 3.026 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.330 3.543 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.823 4.331 -0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.921 4.488 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.459 6.493 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.179 6.571 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.720 8.576 -2.800 1.00 0.00 H new ATOM 0 HH TYR A 26 45.154 9.571 -4.037 1.00 0.00 H new ATOM 413 N ASN A 27 48.515 3.947 -4.319 1.00 0.00 N ATOM 414 CA ASN A 27 49.759 4.609 -4.819 1.00 0.00 C ATOM 415 C ASN A 27 49.563 6.125 -4.897 1.00 0.00 C ATOM 416 O ASN A 27 48.614 6.607 -5.487 1.00 0.00 O ATOM 417 CB ASN A 27 49.983 4.028 -6.215 1.00 0.00 C ATOM 418 CG ASN A 27 51.449 4.201 -6.612 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.955 5.306 -6.649 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.159 3.149 -6.914 1.00 0.00 N ATOM 0 H ASN A 27 47.921 3.541 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 27 50.610 4.434 -4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.714 2.972 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.338 4.530 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 27 53.138 3.254 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.735 2.222 -6.883 1.00 0.00 H new ATOM 427 N SER A 28 50.457 6.878 -4.307 1.00 0.00 N ATOM 428 CA SER A 28 50.333 8.366 -4.345 1.00 0.00 C ATOM 429 C SER A 28 50.900 8.934 -5.658 1.00 0.00 C ATOM 430 O SER A 28 50.920 10.135 -5.856 1.00 0.00 O ATOM 431 CB SER A 28 51.150 8.860 -3.151 1.00 0.00 C ATOM 432 OG SER A 28 52.508 8.472 -3.318 1.00 0.00 O ATOM 0 H SER A 28 51.269 6.525 -3.800 1.00 0.00 H new ATOM 0 HA SER A 28 49.292 8.687 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.077 9.944 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.752 8.443 -2.226 1.00 0.00 H new ATOM 0 HG SER A 28 53.035 8.789 -2.555 1.00 0.00 H new ATOM 438 N VAL A 29 51.355 8.089 -6.557 1.00 0.00 N ATOM 439 CA VAL A 29 51.911 8.593 -7.851 1.00 0.00 C ATOM 440 C VAL A 29 50.853 8.474 -8.952 1.00 0.00 C ATOM 441 O VAL A 29 50.564 9.427 -9.652 1.00 0.00 O ATOM 442 CB VAL A 29 53.111 7.689 -8.155 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.774 8.137 -9.460 1.00 0.00 C ATOM 444 CG2 VAL A 29 54.131 7.784 -7.015 1.00 0.00 C ATOM 0 H VAL A 29 51.364 7.075 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 29 52.203 9.642 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 29 52.767 6.659 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.627 7.493 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.054 8.069 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.114 9.168 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.983 7.140 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.471 8.815 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.665 7.465 -6.083 1.00 0.00 H new ATOM 454 N ILE A 30 50.271 7.310 -9.100 1.00 0.00 N ATOM 455 CA ILE A 30 49.222 7.125 -10.150 1.00 0.00 C ATOM 456 C ILE A 30 47.838 7.444 -9.572 1.00 0.00 C ATOM 457 O ILE A 30 46.985 7.977 -10.257 1.00 0.00 O ATOM 458 CB ILE A 30 49.324 5.664 -10.626 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.231 4.685 -9.447 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.662 5.463 -11.340 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.112 3.258 -9.987 1.00 0.00 C ATOM 0 H ILE A 30 50.476 6.482 -8.541 1.00 0.00 H new ATOM 0 HA ILE A 30 49.370 7.800 -10.993 1.00 0.00 H new ATOM 0 HB ILE A 30 48.494 5.465 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.114 4.775 -8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.368 4.925 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.741 4.430 -11.680 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.721 6.133 -12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.478 5.682 -10.652 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.046 2.558 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.216 3.175 -10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.989 3.023 -10.590 1.00 0.00 H new ATOM 473 N GLY A 31 47.620 7.157 -8.311 1.00 0.00 N ATOM 474 CA GLY A 31 46.304 7.482 -7.681 1.00 0.00 C ATOM 475 C GLY A 31 45.500 6.210 -7.403 1.00 0.00 C ATOM 476 O GLY A 31 44.890 6.075 -6.358 1.00 0.00 O ATOM 0 H GLY A 31 48.297 6.712 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.467 8.024 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.735 8.140 -8.338 1.00 0.00 H new ATOM 480 N LYS A 32 45.480 5.285 -8.327 1.00 0.00 N ATOM 481 CA LYS A 32 44.695 4.028 -8.113 1.00 0.00 C ATOM 482 C LYS A 32 45.404 3.115 -7.107 1.00 0.00 C ATOM 483 O LYS A 32 46.551 3.331 -6.759 1.00 0.00 O ATOM 484 CB LYS A 32 44.612 3.362 -9.491 1.00 0.00 C ATOM 485 CG LYS A 32 46.022 3.066 -10.018 1.00 0.00 C ATOM 486 CD LYS A 32 46.297 1.562 -9.945 1.00 0.00 C ATOM 487 CE LYS A 32 45.586 0.858 -11.102 1.00 0.00 C ATOM 488 NZ LYS A 32 46.367 -0.388 -11.333 1.00 0.00 N ATOM 0 H LYS A 32 45.971 5.343 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 32 43.705 4.230 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.039 2.437 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.084 4.013 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.116 3.413 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.762 3.609 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.370 1.375 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.948 1.163 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 44.550 0.633 -10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 45.569 1.484 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 45.940 -0.926 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 47.348 -0.143 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 46.360 -0.967 -10.469 1.00 0.00 H new ATOM 502 N CYS A 33 44.724 2.100 -6.637 1.00 0.00 N ATOM 503 CA CYS A 33 45.341 1.166 -5.648 1.00 0.00 C ATOM 504 C CYS A 33 46.064 0.023 -6.370 1.00 0.00 C ATOM 505 O CYS A 33 45.447 -0.810 -7.006 1.00 0.00 O ATOM 506 CB CYS A 33 44.165 0.628 -4.829 1.00 0.00 C ATOM 507 SG CYS A 33 43.432 1.977 -3.868 1.00 0.00 S ATOM 0 H CYS A 33 43.763 1.877 -6.897 1.00 0.00 H new ATOM 0 HA CYS A 33 46.084 1.660 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.417 0.190 -5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.504 -0.165 -4.163 1.00 0.00 H new ATOM 512 N ARG A 34 47.368 -0.018 -6.269 1.00 0.00 N ATOM 513 CA ARG A 34 48.150 -1.101 -6.936 1.00 0.00 C ATOM 514 C ARG A 34 48.295 -2.311 -5.982 1.00 0.00 C ATOM 515 O ARG A 34 48.774 -2.141 -4.879 1.00 0.00 O ATOM 516 CB ARG A 34 49.521 -0.476 -7.208 1.00 0.00 C ATOM 517 CG ARG A 34 49.605 -0.014 -8.668 1.00 0.00 C ATOM 518 CD ARG A 34 50.403 -1.033 -9.494 1.00 0.00 C ATOM 519 NE ARG A 34 51.410 -0.226 -10.238 1.00 0.00 N ATOM 520 CZ ARG A 34 52.679 -0.517 -10.146 1.00 0.00 C ATOM 521 NH1 ARG A 34 53.086 -1.740 -10.351 1.00 0.00 N ATOM 522 NH2 ARG A 34 53.541 0.416 -9.847 1.00 0.00 N ATOM 0 H ARG A 34 47.928 0.658 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 34 47.672 -1.463 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.683 0.370 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.308 -1.201 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.603 0.097 -9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.082 0.964 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.885 -1.770 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 34 49.754 -1.581 -10.177 1.00 0.00 H new ATOM 0 HE ARG A 34 51.107 0.555 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.412 -2.470 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 34 54.078 -1.966 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 34 53.223 1.372 -9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 34 54.533 0.190 -9.775 1.00 0.00 H new ATOM 536 N PRO A 35 47.882 -3.501 -6.408 1.00 0.00 N ATOM 537 CA PRO A 35 47.998 -4.687 -5.521 1.00 0.00 C ATOM 538 C PRO A 35 49.468 -4.996 -5.208 1.00 0.00 C ATOM 539 O PRO A 35 50.303 -5.037 -6.092 1.00 0.00 O ATOM 540 CB PRO A 35 47.369 -5.806 -6.360 1.00 0.00 C ATOM 541 CG PRO A 35 46.916 -5.221 -7.709 1.00 0.00 C ATOM 542 CD PRO A 35 47.290 -3.736 -7.755 1.00 0.00 C ATOM 0 HA PRO A 35 47.515 -4.550 -4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.089 -6.608 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.520 -6.241 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.392 -5.756 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.840 -5.343 -7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.002 -3.523 -8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.419 -3.105 -7.929 1.00 0.00 H new ATOM 550 N PHE A 36 49.781 -5.225 -3.957 1.00 0.00 N ATOM 551 CA PHE A 36 51.189 -5.549 -3.577 1.00 0.00 C ATOM 552 C PHE A 36 51.214 -6.822 -2.716 1.00 0.00 C ATOM 553 O PHE A 36 50.181 -7.297 -2.275 1.00 0.00 O ATOM 554 CB PHE A 36 51.700 -4.320 -2.797 1.00 0.00 C ATOM 555 CG PHE A 36 51.040 -4.228 -1.434 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.724 -3.776 -1.323 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.753 -4.599 -0.287 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.115 -3.693 -0.065 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.145 -4.516 0.971 1.00 0.00 C ATOM 560 CZ PHE A 36 49.825 -4.063 1.083 1.00 0.00 C ATOM 0 H PHE A 36 49.120 -5.201 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 36 51.823 -5.746 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.782 -4.385 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.496 -3.413 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.175 -3.490 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.771 -4.949 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.097 -3.343 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.694 -4.802 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.355 -3.999 2.053 1.00 0.00 H new ATOM 570 N LYS A 37 52.377 -7.369 -2.471 1.00 0.00 N ATOM 571 CA LYS A 37 52.457 -8.604 -1.639 1.00 0.00 C ATOM 572 C LYS A 37 52.514 -8.238 -0.154 1.00 0.00 C ATOM 573 O LYS A 37 53.539 -7.832 0.360 1.00 0.00 O ATOM 574 CB LYS A 37 53.743 -9.307 -2.078 1.00 0.00 C ATOM 575 CG LYS A 37 53.471 -10.805 -2.242 1.00 0.00 C ATOM 576 CD LYS A 37 54.703 -11.489 -2.843 1.00 0.00 C ATOM 577 CE LYS A 37 54.261 -12.569 -3.834 1.00 0.00 C ATOM 578 NZ LYS A 37 55.389 -12.689 -4.800 1.00 0.00 N ATOM 0 H LYS A 37 53.271 -7.014 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 37 51.586 -9.246 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.099 -8.885 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.529 -9.147 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.231 -11.249 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.606 -10.959 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.330 -10.753 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 37 55.307 -11.933 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.072 -13.516 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.337 -12.287 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.161 -13.412 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.541 -11.774 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 56.253 -12.965 -4.292 1.00 0.00 H new ATOM 592 N TYR A 38 51.410 -8.378 0.532 1.00 0.00 N ATOM 593 CA TYR A 38 51.368 -8.042 1.985 1.00 0.00 C ATOM 594 C TYR A 38 51.754 -9.266 2.822 1.00 0.00 C ATOM 595 O TYR A 38 51.594 -10.395 2.396 1.00 0.00 O ATOM 596 CB TYR A 38 49.911 -7.648 2.243 1.00 0.00 C ATOM 597 CG TYR A 38 49.718 -7.277 3.697 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.452 -6.226 4.258 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.800 -7.986 4.480 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.268 -5.882 5.603 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.614 -7.643 5.825 1.00 0.00 C ATOM 602 CZ TYR A 38 49.348 -6.591 6.386 1.00 0.00 C ATOM 603 OH TYR A 38 49.164 -6.254 7.712 1.00 0.00 O ATOM 0 H TYR A 38 50.528 -8.714 0.144 1.00 0.00 H new ATOM 0 HA TYR A 38 52.064 -7.247 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.636 -6.807 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.251 -8.475 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.161 -5.680 3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.235 -8.798 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.835 -5.071 6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.905 -8.190 6.429 1.00 0.00 H new ATOM 0 HH TYR A 38 49.878 -6.652 8.253 1.00 0.00 H new ATOM 613 N SER A 39 52.254 -9.045 4.009 1.00 0.00 N ATOM 614 CA SER A 39 52.648 -10.186 4.885 1.00 0.00 C ATOM 615 C SER A 39 51.531 -10.479 5.889 1.00 0.00 C ATOM 616 O SER A 39 50.475 -9.875 5.848 1.00 0.00 O ATOM 617 CB SER A 39 53.913 -9.719 5.603 1.00 0.00 C ATOM 618 OG SER A 39 55.054 -10.174 4.886 1.00 0.00 O ATOM 0 H SER A 39 52.407 -8.120 4.410 1.00 0.00 H new ATOM 0 HA SER A 39 52.821 -11.104 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.924 -8.631 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.931 -10.106 6.622 1.00 0.00 H new ATOM 0 HG SER A 39 55.526 -10.850 5.416 1.00 0.00 H new ATOM 624 N GLY A 40 51.755 -11.404 6.786 1.00 0.00 N ATOM 625 CA GLY A 40 50.709 -11.744 7.794 1.00 0.00 C ATOM 626 C GLY A 40 50.876 -10.860 9.030 1.00 0.00 C ATOM 627 O GLY A 40 50.296 -9.794 9.125 1.00 0.00 O ATOM 0 H GLY A 40 52.620 -11.939 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.717 -11.602 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.788 -12.795 8.073 1.00 0.00 H new ATOM 631 N CYS A 41 51.658 -11.301 9.981 1.00 0.00 N ATOM 632 CA CYS A 41 51.865 -10.500 11.228 1.00 0.00 C ATOM 633 C CYS A 41 52.415 -9.104 10.896 1.00 0.00 C ATOM 634 O CYS A 41 53.067 -8.908 9.888 1.00 0.00 O ATOM 635 CB CYS A 41 52.870 -11.307 12.071 1.00 0.00 C ATOM 636 SG CYS A 41 54.474 -11.426 11.223 1.00 0.00 S ATOM 0 H CYS A 41 52.165 -12.185 9.949 1.00 0.00 H new ATOM 0 HA CYS A 41 50.931 -10.338 11.766 1.00 0.00 H new ATOM 0 HB2 CYS A 41 53.002 -10.831 13.043 1.00 0.00 H new ATOM 0 HB3 CYS A 41 52.476 -12.306 12.256 1.00 0.00 H new ATOM 641 N GLY A 42 52.159 -8.141 11.745 1.00 0.00 N ATOM 642 CA GLY A 42 52.665 -6.758 11.497 1.00 0.00 C ATOM 643 C GLY A 42 51.872 -6.114 10.357 1.00 0.00 C ATOM 644 O GLY A 42 50.965 -6.709 9.806 1.00 0.00 O ATOM 0 H GLY A 42 51.619 -8.254 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.571 -6.158 12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.725 -6.788 11.244 1.00 0.00 H new ATOM 648 N GLY A 43 52.211 -4.899 10.004 1.00 0.00 N ATOM 649 CA GLY A 43 51.484 -4.203 8.901 1.00 0.00 C ATOM 650 C GLY A 43 50.765 -2.970 9.455 1.00 0.00 C ATOM 651 O GLY A 43 50.424 -2.914 10.622 1.00 0.00 O ATOM 0 H GLY A 43 52.962 -4.359 10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.185 -3.907 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 43 50.764 -4.881 8.443 1.00 0.00 H new ATOM 655 N ASN A 44 50.532 -1.984 8.625 1.00 0.00 N ATOM 656 CA ASN A 44 49.833 -0.750 9.095 1.00 0.00 C ATOM 657 C ASN A 44 48.316 -0.922 8.971 1.00 0.00 C ATOM 658 O ASN A 44 47.819 -2.021 8.813 1.00 0.00 O ATOM 659 CB ASN A 44 50.322 0.361 8.164 1.00 0.00 C ATOM 660 CG ASN A 44 50.447 1.670 8.945 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.824 1.843 9.973 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.235 2.609 8.495 1.00 0.00 N ATOM 0 H ASN A 44 50.797 -1.981 7.640 1.00 0.00 H new ATOM 0 HA ASN A 44 50.044 -0.529 10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.286 0.090 7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.626 0.486 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.327 3.487 9.007 1.00 0.00 H new ATOM 0 HD22 ASN A 44 51.759 2.465 7.632 1.00 0.00 H new ATOM 669 N GLU A 45 47.579 0.159 9.041 1.00 0.00 N ATOM 670 CA GLU A 45 46.091 0.067 8.928 1.00 0.00 C ATOM 671 C GLU A 45 45.625 0.550 7.550 1.00 0.00 C ATOM 672 O GLU A 45 44.486 0.942 7.380 1.00 0.00 O ATOM 673 CB GLU A 45 45.554 0.990 10.023 1.00 0.00 C ATOM 674 CG GLU A 45 44.108 0.609 10.348 1.00 0.00 C ATOM 675 CD GLU A 45 43.319 1.865 10.725 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.321 2.214 11.894 1.00 0.00 O ATOM 677 OE2 GLU A 45 42.726 2.457 9.838 1.00 0.00 O ATOM 0 H GLU A 45 47.945 1.102 9.172 1.00 0.00 H new ATOM 0 HA GLU A 45 45.736 -0.957 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.172 0.909 10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.603 2.028 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 45 43.647 0.122 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.086 -0.107 11.169 1.00 0.00 H new ATOM 684 N ASN A 46 46.491 0.523 6.567 1.00 0.00 N ATOM 685 CA ASN A 46 46.092 0.980 5.202 1.00 0.00 C ATOM 686 C ASN A 46 46.080 -0.200 4.226 1.00 0.00 C ATOM 687 O ASN A 46 46.221 -0.028 3.029 1.00 0.00 O ATOM 688 CB ASN A 46 47.154 2.003 4.800 1.00 0.00 C ATOM 689 CG ASN A 46 46.763 2.648 3.468 1.00 0.00 C ATOM 690 OD1 ASN A 46 47.626 2.669 2.489 1.00 0.00 O flip ATOM 691 ND2 ASN A 46 45.661 3.137 3.318 1.00 0.00 N flip ATOM 0 H ASN A 46 47.456 0.204 6.652 1.00 0.00 H new ATOM 0 HA ASN A 46 45.090 1.408 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.249 2.767 5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.126 1.518 4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 46 44.987 3.120 4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.410 3.564 2.427 1.00 0.00 H new ATOM 698 N ASN A 47 45.904 -1.394 4.730 1.00 0.00 N ATOM 699 CA ASN A 47 45.872 -2.594 3.842 1.00 0.00 C ATOM 700 C ASN A 47 44.434 -2.879 3.400 1.00 0.00 C ATOM 701 O ASN A 47 43.635 -3.400 4.156 1.00 0.00 O ATOM 702 CB ASN A 47 46.411 -3.740 4.701 1.00 0.00 C ATOM 703 CG ASN A 47 47.890 -3.496 5.007 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.688 -3.315 4.108 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.294 -3.484 6.249 1.00 0.00 N ATOM 0 H ASN A 47 45.780 -1.590 5.723 1.00 0.00 H new ATOM 0 HA ASN A 47 46.463 -2.457 2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.844 -3.811 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.288 -4.689 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.278 -3.323 6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.625 -3.636 7.004 1.00 0.00 H new ATOM 712 N PHE A 48 44.099 -2.534 2.182 1.00 0.00 N ATOM 713 CA PHE A 48 42.712 -2.776 1.683 1.00 0.00 C ATOM 714 C PHE A 48 42.608 -4.161 1.038 1.00 0.00 C ATOM 715 O PHE A 48 43.559 -4.662 0.469 1.00 0.00 O ATOM 716 CB PHE A 48 42.472 -1.683 0.643 1.00 0.00 C ATOM 717 CG PHE A 48 42.180 -0.378 1.343 1.00 0.00 C ATOM 718 CD1 PHE A 48 40.984 -0.219 2.055 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.103 0.671 1.283 1.00 0.00 C ATOM 720 CE1 PHE A 48 40.713 0.991 2.705 1.00 0.00 C ATOM 721 CE2 PHE A 48 42.833 1.881 1.933 1.00 0.00 C ATOM 722 CZ PHE A 48 41.638 2.041 2.645 1.00 0.00 C ATOM 0 H PHE A 48 44.728 -2.094 1.511 1.00 0.00 H new ATOM 0 HA PHE A 48 41.976 -2.748 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.348 -1.577 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.637 -1.957 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.272 -1.029 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.025 0.547 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 48 39.791 1.115 3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.546 2.691 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 48 41.430 2.974 3.148 1.00 0.00 H new ATOM 732 N THR A 49 41.456 -4.779 1.122 1.00 0.00 N ATOM 733 CA THR A 49 41.279 -6.132 0.512 1.00 0.00 C ATOM 734 C THR A 49 40.562 -6.029 -0.842 1.00 0.00 C ATOM 735 O THR A 49 40.068 -7.013 -1.361 1.00 0.00 O ATOM 736 CB THR A 49 40.417 -6.903 1.512 1.00 0.00 C ATOM 737 OG1 THR A 49 39.249 -6.148 1.806 1.00 0.00 O ATOM 738 CG2 THR A 49 41.209 -7.140 2.799 1.00 0.00 C ATOM 0 H THR A 49 40.630 -4.404 1.588 1.00 0.00 H new ATOM 0 HA THR A 49 42.234 -6.622 0.323 1.00 0.00 H new ATOM 0 HB THR A 49 40.133 -7.864 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.693 -6.641 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 49 40.592 -7.690 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 49 42.105 -7.718 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 41.495 -6.181 3.232 1.00 0.00 H new ATOM 746 N SER A 50 40.503 -4.852 -1.418 1.00 0.00 N ATOM 747 CA SER A 50 39.820 -4.689 -2.737 1.00 0.00 C ATOM 748 C SER A 50 40.111 -3.301 -3.311 1.00 0.00 C ATOM 749 O SER A 50 40.977 -2.593 -2.834 1.00 0.00 O ATOM 750 CB SER A 50 38.329 -4.842 -2.436 1.00 0.00 C ATOM 751 OG SER A 50 37.588 -4.655 -3.634 1.00 0.00 O ATOM 0 H SER A 50 40.900 -3.997 -1.029 1.00 0.00 H new ATOM 0 HA SER A 50 40.162 -5.417 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 50 38.129 -5.830 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 50 38.021 -4.113 -1.686 1.00 0.00 H new ATOM 0 HG SER A 50 36.631 -4.754 -3.446 1.00 0.00 H new ATOM 757 N LYS A 51 39.390 -2.911 -4.330 1.00 0.00 N ATOM 758 CA LYS A 51 39.617 -1.568 -4.944 1.00 0.00 C ATOM 759 C LYS A 51 38.452 -0.631 -4.612 1.00 0.00 C ATOM 760 O LYS A 51 38.621 0.570 -4.513 1.00 0.00 O ATOM 761 CB LYS A 51 39.681 -1.828 -6.448 1.00 0.00 C ATOM 762 CG LYS A 51 40.002 -0.522 -7.178 1.00 0.00 C ATOM 763 CD LYS A 51 40.033 -0.774 -8.686 1.00 0.00 C ATOM 764 CE LYS A 51 38.609 -0.719 -9.247 1.00 0.00 C ATOM 765 NZ LYS A 51 38.783 -0.608 -10.722 1.00 0.00 N ATOM 0 H LYS A 51 38.652 -3.465 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 51 40.524 -1.092 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.443 -2.576 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.730 -2.229 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.253 0.233 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 40.964 -0.133 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 51 40.657 -0.027 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 51 40.479 -1.747 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 51 38.045 -1.613 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 51 38.060 0.134 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 37.850 -0.565 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 39.318 0.256 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 39.303 -1.437 -11.074 1.00 0.00 H new ATOM 779 N GLN A 52 37.272 -1.174 -4.445 1.00 0.00 N ATOM 780 CA GLN A 52 36.088 -0.319 -4.123 1.00 0.00 C ATOM 781 C GLN A 52 36.267 0.349 -2.757 1.00 0.00 C ATOM 782 O GLN A 52 35.973 1.517 -2.588 1.00 0.00 O ATOM 783 CB GLN A 52 34.892 -1.273 -4.097 1.00 0.00 C ATOM 784 CG GLN A 52 33.604 -0.468 -3.911 1.00 0.00 C ATOM 785 CD GLN A 52 32.451 -1.416 -3.578 1.00 0.00 C ATOM 786 OE1 GLN A 52 31.782 -1.912 -4.462 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.188 -1.689 -2.330 1.00 0.00 N ATOM 0 H GLN A 52 37.077 -2.173 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 52 35.954 0.479 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.847 -1.843 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 52 35.004 -1.993 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.731 0.261 -3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.378 0.091 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.750 -1.273 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.421 -2.319 -2.097 1.00 0.00 H new ATOM 796 N GLU A 53 36.745 -0.384 -1.784 1.00 0.00 N ATOM 797 CA GLU A 53 36.944 0.203 -0.424 1.00 0.00 C ATOM 798 C GLU A 53 38.249 1.005 -0.380 1.00 0.00 C ATOM 799 O GLU A 53 38.365 1.977 0.342 1.00 0.00 O ATOM 800 CB GLU A 53 37.020 -0.998 0.519 1.00 0.00 C ATOM 801 CG GLU A 53 36.889 -0.523 1.968 1.00 0.00 C ATOM 802 CD GLU A 53 36.789 -1.735 2.896 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.703 -2.279 3.016 1.00 0.00 O ATOM 804 OE2 GLU A 53 37.800 -2.100 3.472 1.00 0.00 O ATOM 0 H GLU A 53 37.007 -1.366 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 53 36.142 0.887 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.226 -1.707 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.966 -1.522 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.750 0.087 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.005 0.106 2.077 1.00 0.00 H new ATOM 811 N CYS A 54 39.227 0.599 -1.148 1.00 0.00 N ATOM 812 CA CYS A 54 40.533 1.330 -1.159 1.00 0.00 C ATOM 813 C CYS A 54 40.340 2.761 -1.672 1.00 0.00 C ATOM 814 O CYS A 54 40.921 3.696 -1.154 1.00 0.00 O ATOM 815 CB CYS A 54 41.429 0.535 -2.114 1.00 0.00 C ATOM 816 SG CYS A 54 43.120 1.179 -2.039 1.00 0.00 S ATOM 0 H CYS A 54 39.179 -0.208 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 54 40.967 1.407 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.419 -0.521 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.047 0.607 -3.132 1.00 0.00 H new ATOM 821 N LEU A 55 39.530 2.936 -2.687 1.00 0.00 N ATOM 822 CA LEU A 55 39.301 4.306 -3.241 1.00 0.00 C ATOM 823 C LEU A 55 38.151 4.997 -2.503 1.00 0.00 C ATOM 824 O LEU A 55 38.263 6.138 -2.098 1.00 0.00 O ATOM 825 CB LEU A 55 38.938 4.086 -4.711 1.00 0.00 C ATOM 826 CG LEU A 55 40.205 4.148 -5.565 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.971 3.405 -6.882 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.549 5.610 -5.860 1.00 0.00 C ATOM 0 H LEU A 55 39.018 2.189 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 55 40.177 4.944 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.450 3.119 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.228 4.846 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 55 41.029 3.681 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.874 3.450 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 55 39.725 2.364 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 39.147 3.872 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.452 5.656 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.724 6.076 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.716 6.141 -4.923 1.00 0.00 H new ATOM 840 N ARG A 56 37.046 4.316 -2.330 1.00 0.00 N ATOM 841 CA ARG A 56 35.881 4.935 -1.622 1.00 0.00 C ATOM 842 C ARG A 56 36.273 5.369 -0.204 1.00 0.00 C ATOM 843 O ARG A 56 35.642 6.229 0.381 1.00 0.00 O ATOM 844 CB ARG A 56 34.812 3.841 -1.567 1.00 0.00 C ATOM 845 CG ARG A 56 33.464 4.460 -1.183 1.00 0.00 C ATOM 846 CD ARG A 56 32.712 3.517 -0.240 1.00 0.00 C ATOM 847 NE ARG A 56 33.016 4.022 1.127 1.00 0.00 N ATOM 848 CZ ARG A 56 32.083 4.599 1.834 1.00 0.00 C ATOM 849 NH1 ARG A 56 30.917 4.027 1.965 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.314 5.749 2.407 1.00 0.00 N ATOM 0 H ARG A 56 36.899 3.358 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 56 35.527 5.828 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.734 3.346 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.094 3.079 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.620 5.424 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.870 4.645 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 56 31.640 3.532 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.044 2.486 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 56 33.955 3.917 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.736 3.130 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.187 4.477 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 56 33.224 6.197 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.584 6.199 2.959 1.00 0.00 H new ATOM 864 N ALA A 57 37.304 4.781 0.352 1.00 0.00 N ATOM 865 CA ALA A 57 37.733 5.159 1.732 1.00 0.00 C ATOM 866 C ALA A 57 38.886 6.165 1.678 1.00 0.00 C ATOM 867 O ALA A 57 38.813 7.236 2.253 1.00 0.00 O ATOM 868 CB ALA A 57 38.195 3.852 2.376 1.00 0.00 C ATOM 0 H ALA A 57 37.867 4.055 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 57 36.928 5.632 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 57 38.527 4.046 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 57 37.368 3.142 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.020 3.434 1.799 1.00 0.00 H new ATOM 874 N CYS A 58 39.951 5.825 0.997 1.00 0.00 N ATOM 875 CA CYS A 58 41.118 6.757 0.907 1.00 0.00 C ATOM 876 C CYS A 58 40.748 8.001 0.094 1.00 0.00 C ATOM 877 O CYS A 58 40.924 9.118 0.543 1.00 0.00 O ATOM 878 CB CYS A 58 42.216 5.962 0.198 1.00 0.00 C ATOM 879 SG CYS A 58 43.792 6.838 0.362 1.00 0.00 S ATOM 0 H CYS A 58 40.064 4.942 0.499 1.00 0.00 H new ATOM 0 HA CYS A 58 41.438 7.104 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.295 4.964 0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 58 41.966 5.834 -0.855 1.00 0.00 H new ATOM 884 N LYS A 59 40.239 7.815 -1.098 1.00 0.00 N ATOM 885 CA LYS A 59 39.857 8.988 -1.946 1.00 0.00 C ATOM 886 C LYS A 59 38.767 9.811 -1.253 1.00 0.00 C ATOM 887 O LYS A 59 38.785 11.026 -1.278 1.00 0.00 O ATOM 888 CB LYS A 59 39.322 8.391 -3.250 1.00 0.00 C ATOM 889 CG LYS A 59 39.450 9.420 -4.374 1.00 0.00 C ATOM 890 CD LYS A 59 39.650 8.697 -5.706 1.00 0.00 C ATOM 891 CE LYS A 59 39.541 9.699 -6.862 1.00 0.00 C ATOM 892 NZ LYS A 59 38.629 9.056 -7.848 1.00 0.00 N ATOM 0 H LYS A 59 40.071 6.902 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 59 40.701 9.655 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.878 7.489 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.279 8.099 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.556 10.042 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 59 40.291 10.085 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.626 8.212 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 59 38.902 7.913 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 59 39.142 10.654 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 59 40.518 9.901 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 38.506 9.684 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 39.038 8.153 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 37.705 8.882 -7.404 1.00 0.00 H new ATOM 906 N LYS A 60 37.814 9.154 -0.633 1.00 0.00 N ATOM 907 CA LYS A 60 36.706 9.884 0.071 1.00 0.00 C ATOM 908 C LYS A 60 36.032 10.887 -0.878 1.00 0.00 C ATOM 909 O LYS A 60 36.314 12.069 -0.845 1.00 0.00 O ATOM 910 CB LYS A 60 37.379 10.617 1.244 1.00 0.00 C ATOM 911 CG LYS A 60 36.935 9.997 2.580 1.00 0.00 C ATOM 912 CD LYS A 60 36.041 10.981 3.340 1.00 0.00 C ATOM 913 CE LYS A 60 35.030 10.204 4.187 1.00 0.00 C ATOM 914 NZ LYS A 60 34.354 11.238 5.019 1.00 0.00 N ATOM 0 H LYS A 60 37.755 8.137 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 60 35.927 9.203 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 60 38.463 10.555 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 60 37.117 11.675 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 60 36.395 9.068 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 60 37.808 9.746 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 60 36.649 11.623 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 60 35.519 11.632 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 60 34.315 9.672 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 60 35.525 9.458 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 33.645 10.784 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 35.059 11.723 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 33.886 11.930 4.400 1.00 0.00 H new