USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 34 CYS SG : rot -108:sc= 0.98 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 175:sc= -0.587! (180deg=-1.46!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.15) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 X(o=-0.56,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 1.66 (180deg=0.729) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00663 USER MOD Single : A 22 CYS SG : rot -86:sc= 1.09 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -136:sc= 0.504 (180deg=0.0939) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.196 USER MOD Single : A 54 SER OG : rot -26:sc= 0.111 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0227 (180deg=-0.214) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 115:sc= 0.188 USER MOD Single : A 78 MET CE :methyl -127:sc= 0 (180deg=-0.182) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0.477 (180deg=0.465) USER MOD Single : A 88 SER OG : rot -74:sc= -0.115 USER MOD Single : A 89 ASN : amide:sc= -0.444 K(o=-0.44,f=-8.8!) USER MOD Single : A 90 ASN : amide:sc=-0.00645 X(o=-0.0064,f=0) USER MOD Single : A 93 MET CE :methyl 140:sc= -0.0448 (180deg=-1.56!) USER MOD Single : A 98 LYS NZ :NH3+ 140:sc= 0.179 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.734 -3.940 3.965 1.00 0.00 N ATOM 84 CA PHE A 11 10.852 -3.418 2.586 1.00 0.00 C ATOM 85 C PHE A 11 9.447 -3.288 1.956 1.00 0.00 C ATOM 86 O PHE A 11 9.283 -3.245 0.732 1.00 0.00 O ATOM 87 CB PHE A 11 11.781 -4.349 1.763 1.00 0.00 C ATOM 88 CG PHE A 11 13.189 -4.459 2.356 1.00 0.00 C ATOM 89 CD1 PHE A 11 14.180 -3.554 2.008 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.509 -5.457 3.279 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.442 -3.635 2.561 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.772 -5.540 3.826 1.00 0.00 C ATOM 93 CZ PHE A 11 15.738 -4.631 3.464 1.00 0.00 C ATOM 0 HA PHE A 11 11.299 -2.424 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.336 -5.343 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.850 -3.975 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.961 -2.774 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.756 -6.175 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.199 -2.916 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.002 -6.318 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.729 -4.698 3.888 1.00 0.00 H new ATOM 103 N VAL A 12 8.443 -3.205 2.838 1.00 0.00 N ATOM 104 CA VAL A 12 7.036 -2.988 2.502 1.00 0.00 C ATOM 105 C VAL A 12 6.688 -1.547 2.919 1.00 0.00 C ATOM 106 O VAL A 12 7.219 -1.062 3.918 1.00 0.00 O ATOM 107 CB VAL A 12 6.120 -4.011 3.287 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.624 -3.869 2.906 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.610 -5.468 3.080 1.00 0.00 C ATOM 0 H VAL A 12 8.598 -3.291 3.843 1.00 0.00 H new ATOM 0 HA VAL A 12 6.868 -3.138 1.436 1.00 0.00 H new ATOM 0 HB VAL A 12 6.205 -3.768 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.035 -4.592 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.283 -2.861 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.501 -4.055 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.963 -6.151 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.579 -5.715 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.633 -5.563 3.445 1.00 0.00 H new ATOM 119 N VAL A 13 5.860 -0.846 2.130 1.00 0.00 N ATOM 120 CA VAL A 13 5.311 0.478 2.511 1.00 0.00 C ATOM 121 C VAL A 13 3.818 0.365 2.836 1.00 0.00 C ATOM 122 O VAL A 13 3.263 -0.733 2.820 1.00 0.00 O ATOM 123 CB VAL A 13 5.523 1.545 1.370 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.014 1.793 1.104 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.792 1.166 0.063 1.00 0.00 C ATOM 0 H VAL A 13 5.550 -1.172 1.215 1.00 0.00 H new ATOM 0 HA VAL A 13 5.852 0.812 3.396 1.00 0.00 H new ATOM 0 HB VAL A 13 5.079 2.473 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.124 2.534 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.490 2.161 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.489 0.861 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.971 1.934 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.167 0.209 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.722 1.088 0.254 1.00 0.00 H new ATOM 135 N LYS A 14 3.175 1.509 3.135 1.00 0.00 N ATOM 136 CA LYS A 14 1.710 1.600 3.206 1.00 0.00 C ATOM 137 C LYS A 14 1.281 2.978 2.693 1.00 0.00 C ATOM 138 O LYS A 14 1.962 3.979 2.908 1.00 0.00 O ATOM 139 CB LYS A 14 1.133 1.308 4.621 1.00 0.00 C ATOM 140 CG LYS A 14 1.320 2.420 5.668 1.00 0.00 C ATOM 141 CD LYS A 14 0.732 2.034 7.046 1.00 0.00 C ATOM 142 CE LYS A 14 0.768 3.197 8.045 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.094 4.321 7.620 1.00 0.00 N ATOM 0 H LYS A 14 3.654 2.388 3.332 1.00 0.00 H new ATOM 0 HA LYS A 14 1.293 0.817 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.067 1.105 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.597 0.397 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.382 2.638 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.842 3.333 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.298 1.701 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.291 1.192 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.446 2.843 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.794 3.549 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.451 4.821 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.458 4.979 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.895 3.954 7.068 1.00 0.00 H new ATOM 157 N VAL A 15 0.142 2.997 2.017 1.00 0.00 N ATOM 158 CA VAL A 15 -0.343 4.129 1.227 1.00 0.00 C ATOM 159 C VAL A 15 -1.667 4.592 1.834 1.00 0.00 C ATOM 160 O VAL A 15 -2.501 3.754 2.157 1.00 0.00 O ATOM 161 CB VAL A 15 -0.571 3.689 -0.272 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.845 4.898 -1.193 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.621 2.856 -0.791 1.00 0.00 C ATOM 0 H VAL A 15 -0.495 2.200 2.000 1.00 0.00 H new ATOM 0 HA VAL A 15 0.389 4.937 1.240 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.461 3.060 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.996 4.550 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.739 5.420 -0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.006 5.578 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.439 2.566 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.532 3.452 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.735 1.962 -0.178 1.00 0.00 H new ATOM 173 N ARG A 16 -1.857 5.903 1.974 1.00 0.00 N ATOM 174 CA ARG A 16 -3.084 6.487 2.551 1.00 0.00 C ATOM 175 C ARG A 16 -3.550 7.609 1.622 1.00 0.00 C ATOM 176 O ARG A 16 -2.734 8.408 1.170 1.00 0.00 O ATOM 177 CB ARG A 16 -2.825 7.010 4.002 1.00 0.00 C ATOM 178 CG ARG A 16 -4.111 7.357 4.828 1.00 0.00 C ATOM 179 CD ARG A 16 -4.303 8.863 5.113 1.00 0.00 C ATOM 180 NE ARG A 16 -4.385 9.673 3.888 1.00 0.00 N ATOM 181 CZ ARG A 16 -5.398 10.470 3.523 1.00 0.00 C ATOM 182 NH1 ARG A 16 -6.546 10.470 4.179 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.247 11.236 2.458 1.00 0.00 N ATOM 0 H ARG A 16 -1.167 6.599 1.692 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.864 5.729 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.256 6.256 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.199 7.901 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.984 6.988 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.073 6.823 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.213 9.004 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.474 9.220 5.724 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.589 9.623 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.675 9.854 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.303 11.086 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.373 11.212 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.004 11.851 2.161 1.00 0.00 H new ATOM 197 N GLY A 17 -4.868 7.682 1.378 1.00 0.00 N ATOM 198 CA GLY A 17 -5.435 8.568 0.353 1.00 0.00 C ATOM 199 C GLY A 17 -6.051 7.779 -0.798 1.00 0.00 C ATOM 200 O GLY A 17 -6.325 8.334 -1.871 1.00 0.00 O ATOM 0 H GLY A 17 -5.564 7.133 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.195 9.206 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.655 9.224 -0.032 1.00 0.00 H new ATOM 204 N LEU A 18 -6.281 6.477 -0.553 1.00 0.00 N ATOM 205 CA LEU A 18 -6.889 5.567 -1.528 1.00 0.00 C ATOM 206 C LEU A 18 -8.396 5.459 -1.211 1.00 0.00 C ATOM 207 O LEU A 18 -8.749 5.112 -0.080 1.00 0.00 O ATOM 208 CB LEU A 18 -6.221 4.164 -1.456 1.00 0.00 C ATOM 209 CG LEU A 18 -4.680 4.117 -1.700 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.139 2.677 -1.574 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.295 4.746 -3.063 1.00 0.00 C ATOM 0 H LEU A 18 -6.048 6.028 0.333 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.744 5.953 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.425 3.738 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.703 3.518 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.210 4.719 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.063 2.676 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.344 2.298 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.627 2.039 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.214 4.694 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.786 4.199 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.614 5.788 -3.086 1.00 0.00 H new ATOM 223 N PRO A 19 -9.308 5.795 -2.171 1.00 0.00 N ATOM 224 CA PRO A 19 -10.758 5.562 -1.993 1.00 0.00 C ATOM 225 C PRO A 19 -11.116 4.057 -1.989 1.00 0.00 C ATOM 226 O PRO A 19 -10.324 3.206 -2.400 1.00 0.00 O ATOM 227 CB PRO A 19 -11.398 6.301 -3.200 1.00 0.00 C ATOM 228 CG PRO A 19 -10.318 6.329 -4.231 1.00 0.00 C ATOM 229 CD PRO A 19 -9.015 6.459 -3.470 1.00 0.00 C ATOM 0 HA PRO A 19 -11.120 5.927 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.282 5.777 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.714 7.308 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.329 5.420 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.455 7.166 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.193 5.972 -3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.732 7.503 -3.333 1.00 0.00 H new ATOM 237 N TRP A 20 -12.344 3.771 -1.548 1.00 0.00 N ATOM 238 CA TRP A 20 -12.882 2.400 -1.446 1.00 0.00 C ATOM 239 C TRP A 20 -13.107 1.830 -2.860 1.00 0.00 C ATOM 240 O TRP A 20 -13.010 0.618 -3.080 1.00 0.00 O ATOM 241 CB TRP A 20 -14.217 2.404 -0.637 1.00 0.00 C ATOM 242 CG TRP A 20 -14.097 2.545 0.879 1.00 0.00 C ATOM 243 CD1 TRP A 20 -14.687 1.718 1.802 1.00 0.00 C ATOM 244 CD2 TRP A 20 -13.373 3.538 1.654 1.00 0.00 C ATOM 245 NE1 TRP A 20 -14.396 2.132 3.068 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.594 3.241 3.007 1.00 0.00 C ATOM 247 CE3 TRP A 20 -12.577 4.650 1.345 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -13.034 3.990 4.039 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -12.022 5.393 2.367 1.00 0.00 C ATOM 250 CH2 TRP A 20 -12.262 5.066 3.700 1.00 0.00 C ATOM 0 H TRP A 20 -13.004 4.488 -1.247 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.166 1.769 -0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.837 3.220 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.749 1.477 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -15.296 0.860 1.559 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -14.724 1.686 3.925 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -12.400 4.923 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.204 3.729 5.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -11.394 6.239 2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -11.830 5.674 4.481 1.00 0.00 H new ATOM 261 N SER A 21 -13.375 2.746 -3.808 1.00 0.00 N ATOM 262 CA SER A 21 -13.675 2.421 -5.204 1.00 0.00 C ATOM 263 C SER A 21 -12.408 2.359 -6.097 1.00 0.00 C ATOM 264 O SER A 21 -12.540 2.242 -7.321 1.00 0.00 O ATOM 265 CB SER A 21 -14.677 3.475 -5.736 1.00 0.00 C ATOM 266 OG SER A 21 -14.190 4.795 -5.539 1.00 0.00 O ATOM 0 H SER A 21 -13.388 3.748 -3.617 1.00 0.00 H new ATOM 0 HA SER A 21 -14.109 1.422 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.857 3.306 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.634 3.359 -5.228 1.00 0.00 H new ATOM 0 HG SER A 21 -14.842 5.439 -5.886 1.00 0.00 H new ATOM 272 N CYS A 22 -11.183 2.450 -5.507 1.00 0.00 N ATOM 273 CA CYS A 22 -9.916 2.406 -6.284 1.00 0.00 C ATOM 274 C CYS A 22 -9.624 0.995 -6.833 1.00 0.00 C ATOM 275 O CYS A 22 -10.268 0.009 -6.437 1.00 0.00 O ATOM 276 CB CYS A 22 -8.727 2.887 -5.414 1.00 0.00 C ATOM 277 SG CYS A 22 -8.327 1.806 -4.014 1.00 0.00 S ATOM 0 H CYS A 22 -11.049 2.554 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.038 3.078 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.845 2.980 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.952 3.883 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 22 -9.064 2.128 -2.993 1.00 0.00 H new ATOM 283 N SER A 23 -8.650 0.908 -7.757 1.00 0.00 N ATOM 284 CA SER A 23 -8.181 -0.363 -8.339 1.00 0.00 C ATOM 285 C SER A 23 -6.679 -0.544 -8.055 1.00 0.00 C ATOM 286 O SER A 23 -5.942 0.441 -7.952 1.00 0.00 O ATOM 287 CB SER A 23 -8.443 -0.366 -9.867 1.00 0.00 C ATOM 288 OG SER A 23 -9.806 -0.113 -10.154 1.00 0.00 O ATOM 0 H SER A 23 -8.162 1.725 -8.124 1.00 0.00 H new ATOM 0 HA SER A 23 -8.726 -1.191 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.821 0.390 -10.347 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.153 -1.330 -10.286 1.00 0.00 H new ATOM 0 HG SER A 23 -9.943 -0.119 -11.124 1.00 0.00 H new ATOM 294 N ALA A 24 -6.240 -1.806 -7.915 1.00 0.00 N ATOM 295 CA ALA A 24 -4.811 -2.155 -7.792 1.00 0.00 C ATOM 296 C ALA A 24 -4.005 -1.644 -9.003 1.00 0.00 C ATOM 297 O ALA A 24 -2.845 -1.257 -8.860 1.00 0.00 O ATOM 298 CB ALA A 24 -4.643 -3.674 -7.620 1.00 0.00 C ATOM 0 H ALA A 24 -6.863 -2.613 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.416 -1.662 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.584 -3.915 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.166 -3.998 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.060 -4.187 -8.487 1.00 0.00 H new ATOM 304 N ASP A 25 -4.658 -1.638 -10.183 1.00 0.00 N ATOM 305 CA ASP A 25 -4.093 -1.095 -11.439 1.00 0.00 C ATOM 306 C ASP A 25 -3.626 0.368 -11.289 1.00 0.00 C ATOM 307 O ASP A 25 -2.487 0.695 -11.638 1.00 0.00 O ATOM 308 CB ASP A 25 -5.139 -1.198 -12.587 1.00 0.00 C ATOM 309 CG ASP A 25 -4.651 -0.616 -13.938 1.00 0.00 C ATOM 310 OD1 ASP A 25 -3.674 -1.144 -14.516 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.247 0.367 -14.438 1.00 0.00 O ATOM 0 H ASP A 25 -5.600 -2.013 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.217 -1.696 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.405 -2.245 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.047 -0.676 -12.285 1.00 0.00 H new ATOM 316 N GLU A 26 -4.500 1.236 -10.737 1.00 0.00 N ATOM 317 CA GLU A 26 -4.216 2.688 -10.660 1.00 0.00 C ATOM 318 C GLU A 26 -3.137 2.982 -9.588 1.00 0.00 C ATOM 319 O GLU A 26 -2.301 3.868 -9.775 1.00 0.00 O ATOM 320 CB GLU A 26 -5.509 3.510 -10.396 1.00 0.00 C ATOM 321 CG GLU A 26 -6.133 3.326 -9.008 1.00 0.00 C ATOM 322 CD GLU A 26 -7.352 4.219 -8.783 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.175 5.399 -8.428 1.00 0.00 O ATOM 324 OE2 GLU A 26 -8.492 3.755 -8.980 1.00 0.00 O ATOM 0 H GLU A 26 -5.399 0.962 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.825 3.001 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.282 4.567 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.251 3.240 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.424 2.283 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.384 3.543 -8.246 1.00 0.00 H new ATOM 331 N VAL A 27 -3.156 2.211 -8.476 1.00 0.00 N ATOM 332 CA VAL A 27 -2.140 2.318 -7.400 1.00 0.00 C ATOM 333 C VAL A 27 -0.763 1.867 -7.934 1.00 0.00 C ATOM 334 O VAL A 27 0.276 2.449 -7.602 1.00 0.00 O ATOM 335 CB VAL A 27 -2.555 1.459 -6.138 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.539 1.617 -4.970 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.986 1.818 -5.664 1.00 0.00 C ATOM 0 H VAL A 27 -3.869 1.503 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.076 3.360 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.545 0.414 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.861 1.011 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.553 1.287 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.490 2.664 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.244 1.212 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.026 2.874 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.696 1.621 -6.468 1.00 0.00 H new ATOM 347 N GLN A 28 -0.789 0.863 -8.828 1.00 0.00 N ATOM 348 CA GLN A 28 0.426 0.311 -9.452 1.00 0.00 C ATOM 349 C GLN A 28 0.998 1.304 -10.490 1.00 0.00 C ATOM 350 O GLN A 28 2.200 1.313 -10.732 1.00 0.00 O ATOM 351 CB GLN A 28 0.126 -1.064 -10.111 1.00 0.00 C ATOM 352 CG GLN A 28 1.368 -1.953 -10.333 1.00 0.00 C ATOM 353 CD GLN A 28 1.079 -3.242 -11.103 1.00 0.00 C ATOM 354 OE1 GLN A 28 -0.043 -3.746 -11.106 1.00 0.00 O ATOM 355 NE2 GLN A 28 2.103 -3.810 -11.717 1.00 0.00 N ATOM 0 H GLN A 28 -1.650 0.413 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 28 1.175 0.158 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.585 -1.605 -9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.360 -0.894 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.121 -1.380 -10.874 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.797 -2.209 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.021 -3.366 -11.695 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.975 -4.692 -12.212 1.00 0.00 H new ATOM 364 N ARG A 29 0.108 2.115 -11.116 1.00 0.00 N ATOM 365 CA ARG A 29 0.516 3.231 -11.999 1.00 0.00 C ATOM 366 C ARG A 29 1.186 4.356 -11.186 1.00 0.00 C ATOM 367 O ARG A 29 2.112 5.015 -11.670 1.00 0.00 O ATOM 368 CB ARG A 29 -0.696 3.795 -12.791 1.00 0.00 C ATOM 369 CG ARG A 29 -1.352 2.794 -13.773 1.00 0.00 C ATOM 370 CD ARG A 29 -2.542 3.410 -14.533 1.00 0.00 C ATOM 371 NE ARG A 29 -3.273 2.418 -15.354 1.00 0.00 N ATOM 372 CZ ARG A 29 -3.862 2.665 -16.539 1.00 0.00 C ATOM 373 NH1 ARG A 29 -3.703 3.836 -17.155 1.00 0.00 N ATOM 374 NH2 ARG A 29 -4.593 1.720 -17.111 1.00 0.00 N ATOM 0 H ARG A 29 -0.903 2.013 -11.023 1.00 0.00 H new ATOM 0 HA ARG A 29 1.238 2.837 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.451 4.133 -12.081 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.370 4.671 -13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.606 2.450 -14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.692 1.918 -13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.230 3.861 -13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.180 4.212 -15.177 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.336 1.467 -14.991 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.127 4.562 -16.729 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.157 4.006 -18.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.705 0.815 -16.654 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.044 1.897 -18.009 1.00 0.00 H new ATOM 388 N PHE A 30 0.720 4.555 -9.939 1.00 0.00 N ATOM 389 CA PHE A 30 1.305 5.541 -9.006 1.00 0.00 C ATOM 390 C PHE A 30 2.716 5.083 -8.564 1.00 0.00 C ATOM 391 O PHE A 30 3.572 5.906 -8.219 1.00 0.00 O ATOM 392 CB PHE A 30 0.344 5.704 -7.793 1.00 0.00 C ATOM 393 CG PHE A 30 0.742 6.763 -6.762 1.00 0.00 C ATOM 394 CD1 PHE A 30 0.552 8.121 -7.023 1.00 0.00 C ATOM 395 CD2 PHE A 30 1.273 6.401 -5.524 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.887 9.076 -6.085 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.613 7.361 -4.587 1.00 0.00 C ATOM 398 CZ PHE A 30 1.417 8.698 -4.869 1.00 0.00 C ATOM 0 H PHE A 30 -0.069 4.040 -9.549 1.00 0.00 H new ATOM 0 HA PHE A 30 1.420 6.508 -9.495 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.649 5.948 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.264 4.743 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.137 8.428 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.421 5.356 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.734 10.122 -6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.031 7.065 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.679 9.448 -4.137 1.00 0.00 H new ATOM 408 N PHE A 31 2.944 3.752 -8.588 1.00 0.00 N ATOM 409 CA PHE A 31 4.259 3.141 -8.302 1.00 0.00 C ATOM 410 C PHE A 31 4.882 2.531 -9.576 1.00 0.00 C ATOM 411 O PHE A 31 5.719 1.625 -9.484 1.00 0.00 O ATOM 412 CB PHE A 31 4.111 2.069 -7.182 1.00 0.00 C ATOM 413 CG PHE A 31 3.647 2.655 -5.846 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.467 3.538 -5.135 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.401 2.346 -5.310 1.00 0.00 C ATOM 416 CE1 PHE A 31 4.050 4.082 -3.933 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.992 2.893 -4.110 1.00 0.00 C ATOM 418 CZ PHE A 31 2.816 3.761 -3.424 1.00 0.00 C ATOM 0 H PHE A 31 2.218 3.069 -8.807 1.00 0.00 H new ATOM 0 HA PHE A 31 4.936 3.921 -7.953 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.399 1.310 -7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.068 1.567 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.438 3.798 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.746 1.670 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.696 4.760 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.023 2.640 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.490 4.188 -2.487 1.00 0.00 H new ATOM 428 N SER A 32 4.520 3.064 -10.763 1.00 0.00 N ATOM 429 CA SER A 32 5.098 2.605 -12.041 1.00 0.00 C ATOM 430 C SER A 32 6.436 3.334 -12.239 1.00 0.00 C ATOM 431 O SER A 32 6.513 4.360 -12.931 1.00 0.00 O ATOM 432 CB SER A 32 4.114 2.851 -13.207 1.00 0.00 C ATOM 433 OG SER A 32 4.524 2.184 -14.386 1.00 0.00 O ATOM 0 H SER A 32 3.832 3.811 -10.861 1.00 0.00 H new ATOM 0 HA SER A 32 5.277 1.530 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.119 2.509 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.040 3.921 -13.401 1.00 0.00 H new ATOM 0 HG SER A 32 3.879 2.360 -15.102 1.00 0.00 H new ATOM 439 N ASP A 33 7.483 2.750 -11.631 1.00 0.00 N ATOM 440 CA ASP A 33 8.765 3.412 -11.295 1.00 0.00 C ATOM 441 C ASP A 33 9.448 2.578 -10.196 1.00 0.00 C ATOM 442 O ASP A 33 10.667 2.350 -10.208 1.00 0.00 O ATOM 443 CB ASP A 33 8.554 4.869 -10.780 1.00 0.00 C ATOM 444 CG ASP A 33 9.842 5.536 -10.284 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.733 5.808 -11.115 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.964 5.793 -9.066 1.00 0.00 O ATOM 0 H ASP A 33 7.464 1.770 -11.348 1.00 0.00 H new ATOM 0 HA ASP A 33 9.378 3.472 -12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.128 5.471 -11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.825 4.857 -9.970 1.00 0.00 H new ATOM 451 N CYS A 34 8.615 2.168 -9.228 1.00 0.00 N ATOM 452 CA CYS A 34 8.993 1.233 -8.162 1.00 0.00 C ATOM 453 C CYS A 34 8.882 -0.218 -8.691 1.00 0.00 C ATOM 454 O CYS A 34 8.429 -0.436 -9.821 1.00 0.00 O ATOM 455 CB CYS A 34 8.070 1.457 -6.935 1.00 0.00 C ATOM 456 SG CYS A 34 8.063 3.156 -6.296 1.00 0.00 S ATOM 0 H CYS A 34 7.647 2.482 -9.164 1.00 0.00 H new ATOM 0 HA CYS A 34 10.024 1.407 -7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.051 1.181 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.380 0.783 -6.136 1.00 0.00 H new ATOM 0 HG CYS A 34 8.699 3.196 -5.163 1.00 0.00 H new ATOM 462 N LYS A 35 9.274 -1.206 -7.871 1.00 0.00 N ATOM 463 CA LYS A 35 9.240 -2.630 -8.256 1.00 0.00 C ATOM 464 C LYS A 35 8.555 -3.422 -7.147 1.00 0.00 C ATOM 465 O LYS A 35 9.161 -3.725 -6.117 1.00 0.00 O ATOM 466 CB LYS A 35 10.661 -3.207 -8.555 1.00 0.00 C ATOM 467 CG LYS A 35 11.364 -2.612 -9.814 1.00 0.00 C ATOM 468 CD LYS A 35 12.459 -1.573 -9.481 1.00 0.00 C ATOM 469 CE LYS A 35 13.665 -2.211 -8.767 1.00 0.00 C ATOM 470 NZ LYS A 35 14.711 -1.217 -8.432 1.00 0.00 N ATOM 0 H LYS A 35 9.622 -1.044 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 35 8.677 -2.719 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.297 -3.034 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.579 -4.287 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.809 -3.424 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.614 -2.144 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.795 -1.093 -10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.036 -0.791 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.326 -2.700 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.093 -2.985 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.647 -1.605 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.550 -0.346 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.672 -1.001 -7.415 1.00 0.00 H new ATOM 484 N ILE A 36 7.272 -3.701 -7.369 1.00 0.00 N ATOM 485 CA ILE A 36 6.433 -4.450 -6.437 1.00 0.00 C ATOM 486 C ILE A 36 6.689 -5.957 -6.651 1.00 0.00 C ATOM 487 O ILE A 36 6.689 -6.420 -7.788 1.00 0.00 O ATOM 488 CB ILE A 36 4.909 -4.113 -6.647 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.696 -2.564 -6.800 1.00 0.00 C ATOM 490 CG2 ILE A 36 4.059 -4.681 -5.486 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.266 -2.130 -7.095 1.00 0.00 C ATOM 0 H ILE A 36 6.780 -3.409 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 36 6.688 -4.170 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 36 4.577 -4.588 -7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.024 -2.076 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.341 -2.203 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.009 -4.437 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.178 -5.764 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.390 -4.243 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.226 -1.044 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.934 -2.582 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.613 -2.453 -6.284 1.00 0.00 H new ATOM 503 N GLN A 37 6.864 -6.711 -5.554 1.00 0.00 N ATOM 504 CA GLN A 37 7.351 -8.116 -5.575 1.00 0.00 C ATOM 505 C GLN A 37 6.196 -9.129 -5.891 1.00 0.00 C ATOM 506 O GLN A 37 6.248 -10.300 -5.505 1.00 0.00 O ATOM 507 CB GLN A 37 8.037 -8.388 -4.190 1.00 0.00 C ATOM 508 CG GLN A 37 8.849 -9.699 -4.088 1.00 0.00 C ATOM 509 CD GLN A 37 9.511 -9.915 -2.723 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.005 -9.469 -1.689 1.00 0.00 O ATOM 511 NE2 GLN A 37 10.634 -10.613 -2.714 1.00 0.00 N ATOM 0 H GLN A 37 6.672 -6.366 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 37 8.074 -8.261 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.701 -7.553 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.266 -8.399 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.189 -10.541 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.620 -9.698 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.022 -10.966 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.112 -10.799 -1.832 1.00 0.00 H new ATOM 520 N ASN A 38 5.257 -8.680 -6.746 1.00 0.00 N ATOM 521 CA ASN A 38 3.947 -9.342 -7.021 1.00 0.00 C ATOM 522 C ASN A 38 3.061 -8.442 -7.936 1.00 0.00 C ATOM 523 O ASN A 38 1.973 -8.866 -8.354 1.00 0.00 O ATOM 524 CB ASN A 38 3.155 -9.700 -5.700 1.00 0.00 C ATOM 525 CG ASN A 38 3.254 -11.169 -5.233 1.00 0.00 C ATOM 526 OD1 ASN A 38 2.500 -12.030 -5.695 1.00 0.00 O ATOM 527 ND2 ASN A 38 4.154 -11.463 -4.303 1.00 0.00 N ATOM 0 H ASN A 38 5.383 -7.823 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 38 4.173 -10.278 -7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.517 -9.058 -4.897 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.103 -9.457 -5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.234 -12.418 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.766 -10.734 -3.937 1.00 0.00 H new ATOM 534 N GLY A 39 3.509 -7.187 -8.201 1.00 0.00 N ATOM 535 CA GLY A 39 2.751 -6.227 -9.015 1.00 0.00 C ATOM 536 C GLY A 39 1.482 -5.744 -8.324 1.00 0.00 C ATOM 537 O GLY A 39 1.545 -5.261 -7.188 1.00 0.00 O ATOM 0 H GLY A 39 4.398 -6.824 -7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.385 -5.370 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.488 -6.691 -9.966 1.00 0.00 H new ATOM 541 N ALA A 40 0.330 -5.902 -8.990 1.00 0.00 N ATOM 542 CA ALA A 40 -0.988 -5.580 -8.413 1.00 0.00 C ATOM 543 C ALA A 40 -1.279 -6.446 -7.170 1.00 0.00 C ATOM 544 O ALA A 40 -1.921 -5.993 -6.215 1.00 0.00 O ATOM 545 CB ALA A 40 -2.078 -5.774 -9.481 1.00 0.00 C ATOM 0 H ALA A 40 0.283 -6.257 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.984 -4.539 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.052 -5.536 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.881 -5.114 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.074 -6.810 -9.821 1.00 0.00 H new ATOM 551 N GLN A 41 -0.756 -7.690 -7.193 1.00 0.00 N ATOM 552 CA GLN A 41 -0.991 -8.691 -6.132 1.00 0.00 C ATOM 553 C GLN A 41 -0.142 -8.397 -4.876 1.00 0.00 C ATOM 554 O GLN A 41 -0.379 -8.979 -3.812 1.00 0.00 O ATOM 555 CB GLN A 41 -0.703 -10.119 -6.681 1.00 0.00 C ATOM 556 CG GLN A 41 -1.460 -10.455 -7.991 1.00 0.00 C ATOM 557 CD GLN A 41 -1.287 -11.905 -8.475 1.00 0.00 C ATOM 558 OE1 GLN A 41 -0.263 -12.546 -8.230 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.288 -12.427 -9.186 1.00 0.00 N ATOM 0 H GLN A 41 -0.159 -8.028 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.037 -8.633 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.368 -10.221 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.972 -10.851 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.522 -10.259 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.119 -9.780 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.124 -11.873 -9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.218 -13.380 -9.542 1.00 0.00 H new ATOM 568 N GLY A 42 0.855 -7.493 -5.013 1.00 0.00 N ATOM 569 CA GLY A 42 1.708 -7.077 -3.883 1.00 0.00 C ATOM 570 C GLY A 42 1.156 -5.872 -3.141 1.00 0.00 C ATOM 571 O GLY A 42 1.645 -5.520 -2.062 1.00 0.00 O ATOM 0 H GLY A 42 1.086 -7.039 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.813 -7.910 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.706 -6.844 -4.254 1.00 0.00 H new ATOM 575 N ILE A 43 0.149 -5.215 -3.745 1.00 0.00 N ATOM 576 CA ILE A 43 -0.577 -4.106 -3.121 1.00 0.00 C ATOM 577 C ILE A 43 -1.642 -4.705 -2.181 1.00 0.00 C ATOM 578 O ILE A 43 -2.761 -5.017 -2.597 1.00 0.00 O ATOM 579 CB ILE A 43 -1.223 -3.162 -4.202 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.148 -2.740 -5.259 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.872 -1.921 -3.532 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.681 -1.936 -6.429 1.00 0.00 C ATOM 0 H ILE A 43 -0.181 -5.443 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 43 0.112 -3.485 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.013 -3.708 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.623 -2.156 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.333 -3.639 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.312 -1.283 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.649 -2.246 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.111 -1.362 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.138 -1.691 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.430 -2.522 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.135 -1.016 -6.061 1.00 0.00 H new ATOM 594 N ARG A 44 -1.240 -4.913 -0.925 1.00 0.00 N ATOM 595 CA ARG A 44 -2.033 -5.642 0.070 1.00 0.00 C ATOM 596 C ARG A 44 -3.045 -4.678 0.726 1.00 0.00 C ATOM 597 O ARG A 44 -2.735 -4.030 1.728 1.00 0.00 O ATOM 598 CB ARG A 44 -1.053 -6.252 1.125 1.00 0.00 C ATOM 599 CG ARG A 44 -1.622 -7.409 1.972 1.00 0.00 C ATOM 600 CD ARG A 44 -1.859 -8.688 1.144 1.00 0.00 C ATOM 601 NE ARG A 44 -0.633 -9.112 0.423 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.550 -10.155 -0.416 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.582 -10.963 -0.599 1.00 0.00 N ATOM 604 NH2 ARG A 44 0.582 -10.398 -1.063 1.00 0.00 N ATOM 0 H ARG A 44 -0.346 -4.577 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.598 -6.450 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.164 -6.609 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.731 -5.457 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.933 -7.631 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.562 -7.095 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.190 -9.491 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.661 -8.513 0.427 1.00 0.00 H new ATOM 0 HE ARG A 44 0.215 -8.566 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.455 -10.796 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.504 -11.752 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.390 -9.792 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.645 -11.191 -1.701 1.00 0.00 H new ATOM 618 N PHE A 45 -4.269 -4.611 0.161 1.00 0.00 N ATOM 619 CA PHE A 45 -5.322 -3.689 0.638 1.00 0.00 C ATOM 620 C PHE A 45 -5.794 -4.085 2.043 1.00 0.00 C ATOM 621 O PHE A 45 -6.138 -5.252 2.270 1.00 0.00 O ATOM 622 CB PHE A 45 -6.528 -3.634 -0.352 1.00 0.00 C ATOM 623 CG PHE A 45 -6.223 -2.907 -1.666 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.367 -1.518 -1.769 1.00 0.00 C ATOM 625 CD2 PHE A 45 -5.786 -3.601 -2.790 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.083 -0.855 -2.951 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.505 -2.938 -3.971 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.652 -1.566 -4.052 1.00 0.00 C ATOM 0 H PHE A 45 -4.554 -5.188 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.888 -2.690 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.847 -4.652 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.366 -3.139 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.705 -0.954 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.664 -4.673 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.199 0.217 -3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.169 -3.495 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.430 -1.052 -4.975 1.00 0.00 H new ATOM 638 N ILE A 46 -5.777 -3.115 2.984 1.00 0.00 N ATOM 639 CA ILE A 46 -6.208 -3.348 4.366 1.00 0.00 C ATOM 640 C ILE A 46 -7.728 -3.518 4.389 1.00 0.00 C ATOM 641 O ILE A 46 -8.472 -2.530 4.325 1.00 0.00 O ATOM 642 CB ILE A 46 -5.774 -2.180 5.334 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.240 -1.916 5.224 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.192 -2.483 6.800 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.702 -0.815 6.129 1.00 0.00 C ATOM 0 H ILE A 46 -5.466 -2.161 2.802 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.720 -4.253 4.727 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.294 -1.273 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.712 -2.842 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.005 -1.661 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.880 -1.661 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.275 -2.595 6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.715 -3.405 7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.628 -0.711 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.195 0.127 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.897 -1.072 7.170 1.00 0.00 H new ATOM 657 N TYR A 47 -8.182 -4.777 4.384 1.00 0.00 N ATOM 658 CA TYR A 47 -9.603 -5.088 4.515 1.00 0.00 C ATOM 659 C TYR A 47 -9.982 -5.078 5.999 1.00 0.00 C ATOM 660 O TYR A 47 -9.259 -5.636 6.839 1.00 0.00 O ATOM 661 CB TYR A 47 -9.937 -6.444 3.843 1.00 0.00 C ATOM 662 CG TYR A 47 -9.643 -6.471 2.331 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.226 -5.537 1.466 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.770 -7.410 1.772 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.950 -5.550 0.110 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.489 -7.419 0.421 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.078 -6.492 -0.402 1.00 0.00 C ATOM 668 OH TYR A 47 -8.785 -6.501 -1.744 1.00 0.00 O ATOM 0 H TYR A 47 -7.581 -5.596 4.290 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.193 -4.330 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.364 -7.233 4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.991 -6.670 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.902 -4.794 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.305 -8.145 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.414 -4.827 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.809 -8.152 0.013 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.155 -7.226 -1.936 1.00 0.00 H new ATOM 678 N THR A 48 -11.107 -4.417 6.296 1.00 0.00 N ATOM 679 CA THR A 48 -11.618 -4.242 7.663 1.00 0.00 C ATOM 680 C THR A 48 -12.300 -5.525 8.186 1.00 0.00 C ATOM 681 O THR A 48 -12.225 -6.589 7.557 1.00 0.00 O ATOM 682 CB THR A 48 -12.626 -3.047 7.691 1.00 0.00 C ATOM 683 OG1 THR A 48 -13.739 -3.333 6.819 1.00 0.00 O ATOM 684 CG2 THR A 48 -11.960 -1.722 7.271 1.00 0.00 C ATOM 0 H THR A 48 -11.696 -3.983 5.586 1.00 0.00 H new ATOM 0 HA THR A 48 -10.773 -4.030 8.319 1.00 0.00 H new ATOM 0 HB THR A 48 -12.976 -2.929 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.501 -2.769 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.696 -0.918 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.142 -1.494 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.571 -1.816 6.257 1.00 0.00 H new ATOM 692 N ARG A 49 -12.966 -5.400 9.352 1.00 0.00 N ATOM 693 CA ARG A 49 -13.825 -6.454 9.933 1.00 0.00 C ATOM 694 C ARG A 49 -14.927 -6.922 8.944 1.00 0.00 C ATOM 695 O ARG A 49 -15.350 -8.082 8.979 1.00 0.00 O ATOM 696 CB ARG A 49 -14.460 -5.944 11.263 1.00 0.00 C ATOM 697 CG ARG A 49 -15.181 -4.578 11.147 1.00 0.00 C ATOM 698 CD ARG A 49 -15.816 -4.106 12.465 1.00 0.00 C ATOM 699 NE ARG A 49 -16.338 -2.730 12.361 1.00 0.00 N ATOM 700 CZ ARG A 49 -17.557 -2.321 12.737 1.00 0.00 C ATOM 701 NH1 ARG A 49 -18.469 -3.188 13.164 1.00 0.00 N ATOM 702 NH2 ARG A 49 -17.861 -1.036 12.667 1.00 0.00 N ATOM 0 H ARG A 49 -12.923 -4.556 9.923 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.197 -7.320 10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.173 -6.688 11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.678 -5.865 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.468 -3.827 10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.956 -4.649 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.626 -4.782 12.741 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.075 -4.154 13.263 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.714 -2.026 11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.246 -4.182 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.392 -2.859 13.446 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.170 -0.366 12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.786 -0.715 12.951 1.00 0.00 H new ATOM 716 N GLU A 50 -15.356 -6.013 8.043 1.00 0.00 N ATOM 717 CA GLU A 50 -16.423 -6.283 7.051 1.00 0.00 C ATOM 718 C GLU A 50 -15.805 -6.504 5.642 1.00 0.00 C ATOM 719 O GLU A 50 -16.526 -6.685 4.650 1.00 0.00 O ATOM 720 CB GLU A 50 -17.432 -5.097 7.047 1.00 0.00 C ATOM 721 CG GLU A 50 -18.782 -5.368 6.357 1.00 0.00 C ATOM 722 CD GLU A 50 -19.722 -4.150 6.352 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.117 -3.685 7.441 1.00 0.00 O ATOM 724 OE2 GLU A 50 -20.067 -3.644 5.263 1.00 0.00 O ATOM 0 H GLU A 50 -14.973 -5.070 7.981 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.957 -7.194 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.625 -4.805 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.960 -4.245 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.600 -5.681 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.278 -6.198 6.860 1.00 0.00 H new ATOM 731 N GLY A 51 -14.459 -6.503 5.576 1.00 0.00 N ATOM 732 CA GLY A 51 -13.729 -6.695 4.318 1.00 0.00 C ATOM 733 C GLY A 51 -13.767 -5.484 3.386 1.00 0.00 C ATOM 734 O GLY A 51 -13.767 -5.631 2.156 1.00 0.00 O ATOM 0 H GLY A 51 -13.856 -6.370 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.690 -6.933 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.146 -7.556 3.796 1.00 0.00 H new ATOM 738 N ARG A 52 -13.800 -4.291 3.979 1.00 0.00 N ATOM 739 CA ARG A 52 -13.842 -3.011 3.245 1.00 0.00 C ATOM 740 C ARG A 52 -12.413 -2.454 3.087 1.00 0.00 C ATOM 741 O ARG A 52 -11.609 -2.593 4.018 1.00 0.00 O ATOM 742 CB ARG A 52 -14.722 -1.994 4.022 1.00 0.00 C ATOM 743 CG ARG A 52 -16.203 -2.406 4.169 1.00 0.00 C ATOM 744 CD ARG A 52 -16.949 -2.440 2.821 1.00 0.00 C ATOM 745 NE ARG A 52 -18.349 -2.870 2.972 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.283 -2.842 2.015 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.010 -2.376 0.799 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.509 -3.261 2.299 1.00 0.00 N ATOM 0 H ARG A 52 -13.799 -4.177 4.993 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.271 -3.175 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.298 -1.851 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.675 -1.031 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.257 -3.390 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.705 -1.708 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.922 -1.449 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.434 -3.117 2.139 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.632 -3.220 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.074 -2.032 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.736 -2.363 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.728 -3.598 3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.232 -3.246 1.580 1.00 0.00 H new ATOM 762 N PRO A 53 -12.060 -1.835 1.915 1.00 0.00 N ATOM 763 CA PRO A 53 -10.794 -1.087 1.777 1.00 0.00 C ATOM 764 C PRO A 53 -10.774 0.089 2.775 1.00 0.00 C ATOM 765 O PRO A 53 -11.529 1.039 2.619 1.00 0.00 O ATOM 766 CB PRO A 53 -10.795 -0.596 0.298 1.00 0.00 C ATOM 767 CG PRO A 53 -11.787 -1.486 -0.392 1.00 0.00 C ATOM 768 CD PRO A 53 -12.836 -1.817 0.650 1.00 0.00 C ATOM 0 HA PRO A 53 -9.909 -1.685 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.086 0.452 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.805 -0.683 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.233 -0.984 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.308 -2.391 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.630 -1.070 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.310 -2.779 0.454 1.00 0.00 H new ATOM 776 N SER A 54 -9.911 -0.011 3.797 1.00 0.00 N ATOM 777 CA SER A 54 -9.847 0.932 4.942 1.00 0.00 C ATOM 778 C SER A 54 -9.466 2.375 4.523 1.00 0.00 C ATOM 779 O SER A 54 -9.552 3.313 5.331 1.00 0.00 O ATOM 780 CB SER A 54 -8.828 0.378 5.980 1.00 0.00 C ATOM 781 OG SER A 54 -8.735 1.187 7.144 1.00 0.00 O ATOM 0 H SER A 54 -9.222 -0.761 3.859 1.00 0.00 H new ATOM 0 HA SER A 54 -10.844 1.002 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.121 -0.632 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.845 0.304 5.514 1.00 0.00 H new ATOM 0 HG SER A 54 -8.982 2.109 6.922 1.00 0.00 H new ATOM 787 N GLY A 55 -9.084 2.546 3.248 1.00 0.00 N ATOM 788 CA GLY A 55 -8.522 3.789 2.744 1.00 0.00 C ATOM 789 C GLY A 55 -7.016 3.671 2.561 1.00 0.00 C ATOM 790 O GLY A 55 -6.379 4.518 1.924 1.00 0.00 O ATOM 0 H GLY A 55 -9.161 1.815 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.989 4.044 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.745 4.601 3.436 1.00 0.00 H new ATOM 794 N GLU A 56 -6.455 2.608 3.172 1.00 0.00 N ATOM 795 CA GLU A 56 -5.028 2.291 3.132 1.00 0.00 C ATOM 796 C GLU A 56 -4.774 0.896 2.542 1.00 0.00 C ATOM 797 O GLU A 56 -5.672 0.039 2.506 1.00 0.00 O ATOM 798 CB GLU A 56 -4.419 2.397 4.552 1.00 0.00 C ATOM 799 CG GLU A 56 -4.603 3.767 5.210 1.00 0.00 C ATOM 800 CD GLU A 56 -3.893 3.884 6.560 1.00 0.00 C ATOM 801 OE1 GLU A 56 -4.481 3.493 7.588 1.00 0.00 O ATOM 802 OE2 GLU A 56 -2.734 4.360 6.602 1.00 0.00 O ATOM 0 H GLU A 56 -6.999 1.938 3.716 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.542 3.017 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.872 1.637 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.354 2.173 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.226 4.539 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.667 3.957 5.348 1.00 0.00 H new ATOM 809 N ALA A 57 -3.532 0.715 2.087 1.00 0.00 N ATOM 810 CA ALA A 57 -3.025 -0.541 1.519 1.00 0.00 C ATOM 811 C ALA A 57 -1.513 -0.600 1.704 1.00 0.00 C ATOM 812 O ALA A 57 -0.864 0.426 1.673 1.00 0.00 O ATOM 813 CB ALA A 57 -3.363 -0.635 0.024 1.00 0.00 C ATOM 0 H ALA A 57 -2.831 1.456 2.103 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.497 -1.377 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.979 -1.573 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.444 -0.600 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.906 0.201 -0.506 1.00 0.00 H new ATOM 819 N PHE A 58 -0.956 -1.801 1.839 1.00 0.00 N ATOM 820 CA PHE A 58 0.494 -2.008 1.895 1.00 0.00 C ATOM 821 C PHE A 58 0.982 -2.259 0.464 1.00 0.00 C ATOM 822 O PHE A 58 0.187 -2.652 -0.384 1.00 0.00 O ATOM 823 CB PHE A 58 0.838 -3.213 2.812 1.00 0.00 C ATOM 824 CG PHE A 58 0.460 -3.011 4.280 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.319 -2.338 5.151 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.745 -3.491 4.792 1.00 0.00 C ATOM 827 CE1 PHE A 58 0.985 -2.151 6.483 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.073 -3.305 6.125 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.209 -2.635 6.967 1.00 0.00 C ATOM 0 H PHE A 58 -1.497 -2.663 1.913 1.00 0.00 H new ATOM 0 HA PHE A 58 0.987 -1.131 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.327 -4.099 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.908 -3.410 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.259 -1.957 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.431 -4.014 4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.661 -1.626 7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.009 -3.686 6.507 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.470 -2.491 8.005 1.00 0.00 H new ATOM 839 N VAL A 59 2.259 -1.987 0.176 1.00 0.00 N ATOM 840 CA VAL A 59 2.871 -2.303 -1.135 1.00 0.00 C ATOM 841 C VAL A 59 4.256 -2.918 -0.885 1.00 0.00 C ATOM 842 O VAL A 59 5.180 -2.234 -0.438 1.00 0.00 O ATOM 843 CB VAL A 59 2.976 -1.043 -2.090 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.672 -1.397 -3.425 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.587 -0.408 -2.360 1.00 0.00 C ATOM 0 H VAL A 59 2.900 -1.545 0.835 1.00 0.00 H new ATOM 0 HA VAL A 59 2.225 -3.011 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 59 3.589 -0.307 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.726 -0.508 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.680 -1.761 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.102 -2.171 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.702 0.453 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.937 -1.143 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.144 -0.087 -1.417 1.00 0.00 H new ATOM 855 N GLU A 60 4.357 -4.221 -1.153 1.00 0.00 N ATOM 856 CA GLU A 60 5.572 -5.017 -0.927 1.00 0.00 C ATOM 857 C GLU A 60 6.568 -4.761 -2.065 1.00 0.00 C ATOM 858 O GLU A 60 6.256 -5.033 -3.219 1.00 0.00 O ATOM 859 CB GLU A 60 5.177 -6.514 -0.855 1.00 0.00 C ATOM 860 CG GLU A 60 4.154 -6.829 0.261 1.00 0.00 C ATOM 861 CD GLU A 60 3.479 -8.193 0.100 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.181 -9.225 0.177 1.00 0.00 O ATOM 863 OE2 GLU A 60 2.244 -8.250 -0.098 1.00 0.00 O ATOM 0 H GLU A 60 3.586 -4.765 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 60 6.049 -4.733 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.760 -6.818 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.074 -7.111 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.658 -6.793 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.389 -6.053 0.272 1.00 0.00 H new ATOM 870 N LEU A 61 7.754 -4.243 -1.734 1.00 0.00 N ATOM 871 CA LEU A 61 8.739 -3.772 -2.727 1.00 0.00 C ATOM 872 C LEU A 61 10.019 -4.624 -2.655 1.00 0.00 C ATOM 873 O LEU A 61 10.325 -5.223 -1.617 1.00 0.00 O ATOM 874 CB LEU A 61 9.014 -2.258 -2.499 1.00 0.00 C ATOM 875 CG LEU A 61 7.772 -1.326 -2.738 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.016 0.099 -2.218 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.374 -1.303 -4.235 1.00 0.00 C ATOM 0 H LEU A 61 8.064 -4.136 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 61 8.342 -3.889 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.368 -2.116 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.820 -1.944 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 61 6.942 -1.744 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.133 0.710 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.217 0.066 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.872 0.533 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.512 -0.650 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.209 -0.930 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.121 -2.312 -4.560 1.00 0.00 H new ATOM 889 N GLU A 62 10.742 -4.677 -3.787 1.00 0.00 N ATOM 890 CA GLU A 62 11.948 -5.510 -3.965 1.00 0.00 C ATOM 891 C GLU A 62 13.106 -5.031 -3.052 1.00 0.00 C ATOM 892 O GLU A 62 13.923 -5.844 -2.595 1.00 0.00 O ATOM 893 CB GLU A 62 12.374 -5.478 -5.467 1.00 0.00 C ATOM 894 CG GLU A 62 13.595 -6.351 -5.835 1.00 0.00 C ATOM 895 CD GLU A 62 14.019 -6.204 -7.313 1.00 0.00 C ATOM 896 OE1 GLU A 62 13.503 -6.947 -8.178 1.00 0.00 O ATOM 897 OE2 GLU A 62 14.871 -5.339 -7.622 1.00 0.00 O ATOM 0 H GLU A 62 10.503 -4.135 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 62 11.715 -6.535 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.526 -5.797 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.592 -4.446 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.434 -6.081 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.362 -7.396 -5.632 1.00 0.00 H new ATOM 904 N SER A 63 13.140 -3.719 -2.762 1.00 0.00 N ATOM 905 CA SER A 63 14.221 -3.077 -1.998 1.00 0.00 C ATOM 906 C SER A 63 13.720 -1.778 -1.345 1.00 0.00 C ATOM 907 O SER A 63 12.682 -1.227 -1.752 1.00 0.00 O ATOM 908 CB SER A 63 15.418 -2.779 -2.933 1.00 0.00 C ATOM 909 OG SER A 63 16.485 -2.136 -2.254 1.00 0.00 O ATOM 0 H SER A 63 12.410 -3.069 -3.055 1.00 0.00 H new ATOM 0 HA SER A 63 14.545 -3.755 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.777 -3.712 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.084 -2.150 -3.758 1.00 0.00 H new ATOM 0 HG SER A 63 17.219 -1.969 -2.882 1.00 0.00 H new ATOM 915 N GLU A 64 14.485 -1.281 -0.339 1.00 0.00 N ATOM 916 CA GLU A 64 14.176 -0.016 0.354 1.00 0.00 C ATOM 917 C GLU A 64 14.417 1.199 -0.557 1.00 0.00 C ATOM 918 O GLU A 64 13.978 2.299 -0.243 1.00 0.00 O ATOM 919 CB GLU A 64 14.971 0.131 1.682 1.00 0.00 C ATOM 920 CG GLU A 64 14.508 1.316 2.563 1.00 0.00 C ATOM 921 CD GLU A 64 15.385 1.566 3.790 1.00 0.00 C ATOM 922 OE1 GLU A 64 15.134 0.951 4.839 1.00 0.00 O ATOM 923 OE2 GLU A 64 16.303 2.407 3.723 1.00 0.00 O ATOM 0 H GLU A 64 15.324 -1.745 0.007 1.00 0.00 H new ATOM 0 HA GLU A 64 13.116 -0.049 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.878 -0.792 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.028 0.256 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.488 2.220 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.486 1.131 2.893 1.00 0.00 H new ATOM 930 N ASP A 65 15.114 1.002 -1.684 1.00 0.00 N ATOM 931 CA ASP A 65 15.283 2.064 -2.696 1.00 0.00 C ATOM 932 C ASP A 65 13.906 2.501 -3.222 1.00 0.00 C ATOM 933 O ASP A 65 13.571 3.683 -3.190 1.00 0.00 O ATOM 934 CB ASP A 65 16.183 1.573 -3.853 1.00 0.00 C ATOM 935 CG ASP A 65 16.382 2.631 -4.959 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.262 3.500 -4.805 1.00 0.00 O ATOM 937 OD2 ASP A 65 15.659 2.600 -5.981 1.00 0.00 O ATOM 0 H ASP A 65 15.570 0.121 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 65 15.771 2.922 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.156 1.288 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.744 0.677 -4.291 1.00 0.00 H new ATOM 942 N GLU A 66 13.120 1.515 -3.682 1.00 0.00 N ATOM 943 CA GLU A 66 11.729 1.723 -4.120 1.00 0.00 C ATOM 944 C GLU A 66 10.840 2.290 -2.996 1.00 0.00 C ATOM 945 O GLU A 66 9.889 3.034 -3.271 1.00 0.00 O ATOM 946 CB GLU A 66 11.104 0.416 -4.656 1.00 0.00 C ATOM 947 CG GLU A 66 11.823 -0.210 -5.871 1.00 0.00 C ATOM 948 CD GLU A 66 13.060 -1.049 -5.516 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.900 -2.238 -5.214 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.196 -0.538 -5.582 1.00 0.00 O ATOM 0 H GLU A 66 13.432 0.547 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 66 11.773 2.457 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.086 -0.316 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.068 0.614 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.116 -0.839 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.123 0.588 -6.550 1.00 0.00 H new ATOM 957 N VAL A 67 11.145 1.900 -1.742 1.00 0.00 N ATOM 958 CA VAL A 67 10.476 2.445 -0.548 1.00 0.00 C ATOM 959 C VAL A 67 10.727 3.963 -0.439 1.00 0.00 C ATOM 960 O VAL A 67 9.788 4.711 -0.262 1.00 0.00 O ATOM 961 CB VAL A 67 10.929 1.701 0.767 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.433 2.411 2.049 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.470 0.220 0.752 1.00 0.00 C ATOM 0 H VAL A 67 11.858 1.202 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 67 9.405 2.276 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 67 12.018 1.731 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.772 1.858 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.833 3.424 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.344 2.451 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.795 -0.271 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.383 0.177 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.909 -0.288 -0.106 1.00 0.00 H new ATOM 973 N LYS A 68 12.000 4.381 -0.555 1.00 0.00 N ATOM 974 CA LYS A 68 12.420 5.812 -0.580 1.00 0.00 C ATOM 975 C LYS A 68 11.655 6.616 -1.644 1.00 0.00 C ATOM 976 O LYS A 68 11.203 7.737 -1.383 1.00 0.00 O ATOM 977 CB LYS A 68 13.945 5.936 -0.849 1.00 0.00 C ATOM 978 CG LYS A 68 14.843 5.344 0.256 1.00 0.00 C ATOM 979 CD LYS A 68 16.337 5.385 -0.125 1.00 0.00 C ATOM 980 CE LYS A 68 17.252 4.898 1.008 1.00 0.00 C ATOM 981 NZ LYS A 68 17.117 5.732 2.225 1.00 0.00 N ATOM 0 H LYS A 68 12.784 3.733 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 68 12.186 6.224 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.176 5.439 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.194 6.990 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.690 5.898 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.547 4.313 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.499 4.767 -1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.611 6.405 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.011 3.863 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.288 4.914 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.904 5.529 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.137 6.738 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.215 5.515 2.696 1.00 0.00 H new ATOM 995 N LEU A 69 11.520 6.020 -2.843 1.00 0.00 N ATOM 996 CA LEU A 69 10.783 6.621 -3.974 1.00 0.00 C ATOM 997 C LEU A 69 9.312 6.842 -3.588 1.00 0.00 C ATOM 998 O LEU A 69 8.755 7.920 -3.784 1.00 0.00 O ATOM 999 CB LEU A 69 10.878 5.707 -5.231 1.00 0.00 C ATOM 1000 CG LEU A 69 12.323 5.316 -5.685 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.293 4.413 -6.928 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.215 6.555 -5.917 1.00 0.00 C ATOM 0 H LEU A 69 11.919 5.106 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 69 11.234 7.585 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.320 4.792 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.381 6.210 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 69 12.769 4.749 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.313 4.159 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.742 3.500 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.803 4.938 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.208 6.235 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.774 7.181 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.293 7.125 -4.991 1.00 0.00 H new ATOM 1014 N ALA A 70 8.728 5.790 -2.993 1.00 0.00 N ATOM 1015 CA ALA A 70 7.343 5.778 -2.494 1.00 0.00 C ATOM 1016 C ALA A 70 7.110 6.872 -1.419 1.00 0.00 C ATOM 1017 O ALA A 70 6.122 7.606 -1.481 1.00 0.00 O ATOM 1018 CB ALA A 70 7.011 4.378 -1.947 1.00 0.00 C ATOM 0 H ALA A 70 9.215 4.906 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 70 6.672 6.007 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.986 4.366 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.118 3.641 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.694 4.134 -1.133 1.00 0.00 H new ATOM 1024 N LEU A 71 8.047 6.962 -0.453 1.00 0.00 N ATOM 1025 CA LEU A 71 8.069 7.998 0.607 1.00 0.00 C ATOM 1026 C LEU A 71 8.091 9.423 0.015 1.00 0.00 C ATOM 1027 O LEU A 71 7.494 10.329 0.565 1.00 0.00 O ATOM 1028 CB LEU A 71 9.308 7.808 1.533 1.00 0.00 C ATOM 1029 CG LEU A 71 9.407 6.462 2.319 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.707 6.397 3.147 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.172 6.231 3.206 1.00 0.00 C ATOM 0 H LEU A 71 8.825 6.306 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 71 7.154 7.880 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.205 7.911 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.319 8.624 2.256 1.00 0.00 H new ATOM 0 HG LEU A 71 9.436 5.657 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.749 5.449 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.567 6.476 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.725 7.220 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.277 5.285 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.085 7.044 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.278 6.200 2.584 1.00 0.00 H new ATOM 1043 N LYS A 72 8.792 9.585 -1.114 1.00 0.00 N ATOM 1044 CA LYS A 72 8.900 10.885 -1.813 1.00 0.00 C ATOM 1045 C LYS A 72 7.626 11.208 -2.610 1.00 0.00 C ATOM 1046 O LYS A 72 7.393 12.364 -2.966 1.00 0.00 O ATOM 1047 CB LYS A 72 10.131 10.916 -2.743 1.00 0.00 C ATOM 1048 CG LYS A 72 11.481 10.905 -2.005 1.00 0.00 C ATOM 1049 CD LYS A 72 12.680 11.105 -2.959 1.00 0.00 C ATOM 1050 CE LYS A 72 12.775 10.010 -4.038 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.915 10.240 -4.955 1.00 0.00 N ATOM 0 H LYS A 72 9.300 8.828 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 72 9.023 11.650 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.089 10.056 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.078 11.808 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.486 11.692 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.595 9.958 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.595 12.078 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.602 11.117 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.884 9.037 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.848 9.982 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.946 9.483 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.798 11.158 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.802 10.241 -4.412 1.00 0.00 H new ATOM 1065 N LYS A 73 6.811 10.179 -2.883 1.00 0.00 N ATOM 1066 CA LYS A 73 5.511 10.339 -3.562 1.00 0.00 C ATOM 1067 C LYS A 73 4.389 10.605 -2.545 1.00 0.00 C ATOM 1068 O LYS A 73 3.214 10.656 -2.920 1.00 0.00 O ATOM 1069 CB LYS A 73 5.201 9.088 -4.425 1.00 0.00 C ATOM 1070 CG LYS A 73 6.251 8.815 -5.522 1.00 0.00 C ATOM 1071 CD LYS A 73 6.041 7.459 -6.247 1.00 0.00 C ATOM 1072 CE LYS A 73 7.224 7.106 -7.169 1.00 0.00 C ATOM 1073 NZ LYS A 73 7.074 5.776 -7.815 1.00 0.00 N ATOM 0 H LYS A 73 7.031 9.213 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 73 5.568 11.205 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.134 8.216 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.224 9.213 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.218 9.621 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.245 8.831 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.910 6.669 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.124 7.501 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.319 7.871 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.147 7.121 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.853 5.627 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.096 5.033 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.167 5.737 -8.322 1.00 0.00 H new ATOM 1087 N ASP A 74 4.759 10.797 -1.251 1.00 0.00 N ATOM 1088 CA ASP A 74 3.806 11.194 -0.191 1.00 0.00 C ATOM 1089 C ASP A 74 3.237 12.611 -0.437 1.00 0.00 C ATOM 1090 O ASP A 74 2.248 13.018 0.189 1.00 0.00 O ATOM 1091 CB ASP A 74 4.473 11.102 1.219 1.00 0.00 C ATOM 1092 CG ASP A 74 5.311 12.333 1.634 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.164 12.797 0.841 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.104 12.859 2.749 1.00 0.00 O ATOM 0 H ASP A 74 5.717 10.681 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 74 2.971 10.494 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.692 10.947 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.115 10.221 1.243 1.00 0.00 H new ATOM 1099 N ARG A 75 3.906 13.362 -1.331 1.00 0.00 N ATOM 1100 CA ARG A 75 3.472 14.696 -1.776 1.00 0.00 C ATOM 1101 C ARG A 75 2.556 14.593 -3.023 1.00 0.00 C ATOM 1102 O ARG A 75 1.668 15.426 -3.209 1.00 0.00 O ATOM 1103 CB ARG A 75 4.709 15.586 -2.079 1.00 0.00 C ATOM 1104 CG ARG A 75 5.580 15.062 -3.234 1.00 0.00 C ATOM 1105 CD ARG A 75 6.734 15.993 -3.636 1.00 0.00 C ATOM 1106 NE ARG A 75 7.276 15.591 -4.948 1.00 0.00 N ATOM 1107 CZ ARG A 75 8.233 16.223 -5.636 1.00 0.00 C ATOM 1108 NH1 ARG A 75 8.876 17.269 -5.131 1.00 0.00 N ATOM 1109 NH2 ARG A 75 8.540 15.785 -6.846 1.00 0.00 N ATOM 0 H ARG A 75 4.774 13.054 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 75 2.896 15.157 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.370 16.594 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.320 15.661 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.993 14.094 -2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.945 14.895 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.382 17.024 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.520 15.957 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 75 6.883 14.750 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.644 17.608 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.602 17.733 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.050 14.980 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.267 16.252 -7.388 1.00 0.00 H new ATOM 1123 N GLU A 76 2.784 13.568 -3.867 1.00 0.00 N ATOM 1124 CA GLU A 76 2.011 13.341 -5.114 1.00 0.00 C ATOM 1125 C GLU A 76 0.511 13.083 -4.836 1.00 0.00 C ATOM 1126 O GLU A 76 0.129 12.594 -3.760 1.00 0.00 O ATOM 1127 CB GLU A 76 2.637 12.173 -5.944 1.00 0.00 C ATOM 1128 CG GLU A 76 3.719 12.580 -6.979 1.00 0.00 C ATOM 1129 CD GLU A 76 4.895 13.388 -6.396 1.00 0.00 C ATOM 1130 OE1 GLU A 76 5.862 12.786 -5.880 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.865 14.637 -6.462 1.00 0.00 O ATOM 0 H GLU A 76 3.510 12.870 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 76 2.069 14.257 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.077 11.456 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.834 11.657 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.112 11.678 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.247 13.168 -7.766 1.00 0.00 H new ATOM 1138 N THR A 77 -0.323 13.447 -5.828 1.00 0.00 N ATOM 1139 CA THR A 77 -1.781 13.353 -5.737 1.00 0.00 C ATOM 1140 C THR A 77 -2.339 12.357 -6.772 1.00 0.00 C ATOM 1141 O THR A 77 -1.982 12.405 -7.957 1.00 0.00 O ATOM 1142 CB THR A 77 -2.453 14.755 -5.958 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.094 15.275 -7.248 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.048 15.774 -4.871 1.00 0.00 C ATOM 0 H THR A 77 0.005 13.817 -6.720 1.00 0.00 H new ATOM 0 HA THR A 77 -2.017 12.997 -4.734 1.00 0.00 H new ATOM 0 HB THR A 77 -3.531 14.607 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.895 15.342 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.537 16.728 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.353 15.403 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.967 15.911 -4.886 1.00 0.00 H new ATOM 1152 N MET A 78 -3.202 11.441 -6.294 1.00 0.00 N ATOM 1153 CA MET A 78 -4.036 10.588 -7.160 1.00 0.00 C ATOM 1154 C MET A 78 -5.238 11.426 -7.634 1.00 0.00 C ATOM 1155 O MET A 78 -6.307 11.417 -7.017 1.00 0.00 O ATOM 1156 CB MET A 78 -4.467 9.293 -6.411 1.00 0.00 C ATOM 1157 CG MET A 78 -3.294 8.359 -6.074 1.00 0.00 C ATOM 1158 SD MET A 78 -2.604 7.558 -7.536 1.00 0.00 S ATOM 1159 CE MET A 78 -3.821 6.286 -7.864 1.00 0.00 C ATOM 0 H MET A 78 -3.340 11.272 -5.298 1.00 0.00 H new ATOM 0 HA MET A 78 -3.473 10.255 -8.032 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.977 9.569 -5.488 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.188 8.751 -7.024 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.512 8.930 -5.574 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.631 7.597 -5.372 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.325 5.318 -7.938 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.548 6.260 -7.052 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.332 6.505 -8.802 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.001 12.212 -8.701 1.00 0.00 N ATOM 1170 CA GLY A 79 -5.944 13.222 -9.176 1.00 0.00 C ATOM 1171 C GLY A 79 -5.734 14.519 -8.420 1.00 0.00 C ATOM 1172 O GLY A 79 -4.841 15.307 -8.753 1.00 0.00 O ATOM 0 H GLY A 79 -4.146 12.158 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.806 13.387 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.967 12.871 -9.037 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.543 14.725 -7.378 1.00 0.00 N ATOM 1177 CA HIS A 80 -6.341 15.795 -6.379 1.00 0.00 C ATOM 1178 C HIS A 80 -6.318 15.196 -4.963 1.00 0.00 C ATOM 1179 O HIS A 80 -6.214 15.931 -3.975 1.00 0.00 O ATOM 1180 CB HIS A 80 -7.428 16.893 -6.509 1.00 0.00 C ATOM 1181 CG HIS A 80 -7.265 17.772 -7.725 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -8.081 17.701 -8.836 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -6.352 18.735 -7.998 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -7.678 18.584 -9.733 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -6.633 19.221 -9.249 1.00 0.00 N ATOM 0 H HIS A 80 -7.367 14.152 -7.196 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.378 16.270 -6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.408 16.418 -6.545 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.409 17.517 -5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.551 19.060 -7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.130 18.754 -10.699 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.115 19.958 -9.728 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.400 13.852 -4.877 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.298 13.125 -3.605 1.00 0.00 C ATOM 1196 C ARG A 81 -4.857 13.193 -3.104 1.00 0.00 C ATOM 1197 O ARG A 81 -3.978 12.583 -3.707 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.753 11.636 -3.748 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.277 11.420 -3.674 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.845 11.861 -2.312 1.00 0.00 C ATOM 1201 NE ARG A 81 -10.304 11.690 -2.208 1.00 0.00 N ATOM 1202 CZ ARG A 81 -11.122 12.455 -1.469 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.647 13.513 -0.807 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -12.415 12.167 -1.424 1.00 0.00 N ATOM 0 H ARG A 81 -6.538 13.247 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.966 13.598 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.390 11.249 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.278 11.048 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.764 11.981 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.505 10.367 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.361 11.287 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.596 12.909 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.726 10.929 -2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.655 13.745 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.276 14.089 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.779 11.371 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.046 12.741 -0.866 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.631 13.938 -2.013 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.311 14.053 -1.386 1.00 0.00 C ATOM 1220 C TYR A 82 -2.972 12.713 -0.727 1.00 0.00 C ATOM 1221 O TYR A 82 -3.605 12.324 0.263 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.283 15.224 -0.357 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.250 16.619 -1.007 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.416 17.252 -1.445 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.039 17.294 -1.194 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.372 18.502 -2.039 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.994 18.540 -1.782 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.159 19.138 -2.202 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.105 20.381 -2.798 1.00 0.00 O ATOM 0 H TYR A 82 -5.358 14.476 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.559 14.283 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.161 15.153 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.409 15.111 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.368 16.758 -1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.119 16.829 -0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.283 18.977 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.048 19.044 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.175 20.687 -2.833 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.998 11.992 -1.314 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.702 10.606 -0.960 1.00 0.00 C ATOM 1241 C VAL A 83 -0.313 10.526 -0.335 1.00 0.00 C ATOM 1242 O VAL A 83 0.684 10.830 -0.990 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.811 9.678 -2.227 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.262 8.256 -1.964 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -3.278 9.601 -2.702 1.00 0.00 C ATOM 0 H VAL A 83 -1.396 12.363 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.433 10.255 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.195 10.123 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.360 7.655 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.211 8.318 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.828 7.791 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.343 8.957 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.898 9.192 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.630 10.600 -2.959 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.276 10.145 0.948 1.00 0.00 N ATOM 1256 CA GLU A 84 0.958 9.953 1.721 1.00 0.00 C ATOM 1257 C GLU A 84 1.304 8.466 1.779 1.00 0.00 C ATOM 1258 O GLU A 84 0.420 7.612 1.816 1.00 0.00 O ATOM 1259 CB GLU A 84 0.859 10.550 3.165 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.429 10.196 3.958 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.584 11.195 3.749 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -2.239 11.154 2.691 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -1.821 12.055 4.627 1.00 0.00 O ATOM 0 H GLU A 84 -1.120 9.958 1.489 1.00 0.00 H new ATOM 0 HA GLU A 84 1.754 10.495 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.721 10.209 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.932 11.635 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.764 9.201 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.189 10.150 5.020 1.00 0.00 H new ATOM 1270 N VAL A 85 2.608 8.185 1.786 1.00 0.00 N ATOM 1271 CA VAL A 85 3.146 6.822 1.820 1.00 0.00 C ATOM 1272 C VAL A 85 4.193 6.744 2.941 1.00 0.00 C ATOM 1273 O VAL A 85 5.139 7.537 2.964 1.00 0.00 O ATOM 1274 CB VAL A 85 3.783 6.383 0.446 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.252 4.909 0.508 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.811 6.600 -0.741 1.00 0.00 C ATOM 0 H VAL A 85 3.330 8.905 1.768 1.00 0.00 H new ATOM 0 HA VAL A 85 2.322 6.133 2.009 1.00 0.00 H new ATOM 0 HB VAL A 85 4.651 7.019 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.688 4.625 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.999 4.798 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.400 4.265 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.291 6.284 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.907 6.013 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.550 7.656 -0.809 1.00 0.00 H new ATOM 1286 N PHE A 86 4.001 5.792 3.864 1.00 0.00 N ATOM 1287 CA PHE A 86 4.867 5.574 5.040 1.00 0.00 C ATOM 1288 C PHE A 86 5.677 4.289 4.809 1.00 0.00 C ATOM 1289 O PHE A 86 5.487 3.622 3.790 1.00 0.00 O ATOM 1290 CB PHE A 86 3.996 5.443 6.323 1.00 0.00 C ATOM 1291 CG PHE A 86 3.044 6.617 6.552 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.474 7.768 7.205 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.724 6.569 6.100 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.617 8.831 7.403 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.867 7.630 6.302 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.312 8.764 6.954 1.00 0.00 C ATOM 0 H PHE A 86 3.222 5.135 3.816 1.00 0.00 H new ATOM 0 HA PHE A 86 5.543 6.418 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.414 4.523 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.653 5.348 7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.492 7.830 7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.369 5.689 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.967 9.718 7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.153 7.575 5.950 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.642 9.596 7.112 1.00 0.00 H new ATOM 1306 N LYS A 87 6.559 3.925 5.755 1.00 0.00 N ATOM 1307 CA LYS A 87 7.349 2.682 5.655 1.00 0.00 C ATOM 1308 C LYS A 87 6.787 1.681 6.660 1.00 0.00 C ATOM 1309 O LYS A 87 6.645 2.000 7.840 1.00 0.00 O ATOM 1310 CB LYS A 87 8.862 2.907 5.922 1.00 0.00 C ATOM 1311 CG LYS A 87 9.728 1.629 5.714 1.00 0.00 C ATOM 1312 CD LYS A 87 11.195 1.785 6.169 1.00 0.00 C ATOM 1313 CE LYS A 87 11.956 2.898 5.431 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.333 3.057 5.952 1.00 0.00 N ATOM 0 H LYS A 87 6.744 4.471 6.596 1.00 0.00 H new ATOM 0 HA LYS A 87 7.269 2.306 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.226 3.694 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.993 3.263 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.275 0.802 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.712 1.360 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.214 1.992 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.716 0.839 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.994 2.669 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.416 3.839 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.763 3.910 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.304 3.149 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.900 2.224 5.694 1.00 0.00 H new ATOM 1328 N SER A 88 6.477 0.485 6.176 1.00 0.00 N ATOM 1329 CA SER A 88 5.872 -0.596 6.968 1.00 0.00 C ATOM 1330 C SER A 88 6.848 -1.783 7.115 1.00 0.00 C ATOM 1331 O SER A 88 8.058 -1.651 6.876 1.00 0.00 O ATOM 1332 CB SER A 88 4.560 -1.022 6.269 1.00 0.00 C ATOM 1333 OG SER A 88 3.654 0.063 6.190 1.00 0.00 O ATOM 0 H SER A 88 6.640 0.227 5.203 1.00 0.00 H new ATOM 0 HA SER A 88 5.652 -0.248 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.780 -1.391 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.101 -1.845 6.818 1.00 0.00 H new ATOM 0 HG SER A 88 3.264 0.229 7.074 1.00 0.00 H new ATOM 1339 N ASN A 89 6.295 -2.926 7.529 1.00 0.00 N ATOM 1340 CA ASN A 89 7.012 -4.197 7.703 1.00 0.00 C ATOM 1341 C ASN A 89 6.023 -5.322 7.367 1.00 0.00 C ATOM 1342 O ASN A 89 4.811 -5.088 7.366 1.00 0.00 O ATOM 1343 CB ASN A 89 7.542 -4.293 9.176 1.00 0.00 C ATOM 1344 CG ASN A 89 8.553 -5.428 9.451 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.562 -6.476 8.797 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.405 -5.225 10.447 1.00 0.00 N ATOM 0 H ASN A 89 5.304 -2.997 7.760 1.00 0.00 H new ATOM 0 HA ASN A 89 7.879 -4.274 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.010 -3.344 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.689 -4.422 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.088 -5.943 10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.377 -4.351 10.972 1.00 0.00 H new ATOM 1353 N ASN A 90 6.534 -6.521 7.056 1.00 0.00 N ATOM 1354 CA ASN A 90 5.698 -7.725 6.866 1.00 0.00 C ATOM 1355 C ASN A 90 4.996 -8.090 8.192 1.00 0.00 C ATOM 1356 O ASN A 90 3.836 -8.526 8.194 1.00 0.00 O ATOM 1357 CB ASN A 90 6.552 -8.914 6.354 1.00 0.00 C ATOM 1358 CG ASN A 90 5.734 -10.189 6.101 1.00 0.00 C ATOM 1359 OD1 ASN A 90 5.213 -10.397 5.007 1.00 0.00 O ATOM 1360 ND2 ASN A 90 5.615 -11.047 7.108 1.00 0.00 N ATOM 0 H ASN A 90 7.532 -6.688 6.929 1.00 0.00 H new ATOM 0 HA ASN A 90 4.940 -7.509 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.051 -8.622 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.333 -9.131 7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.080 -11.906 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.059 -10.846 8.004 1.00 0.00 H new ATOM 1367 N VAL A 91 5.712 -7.870 9.316 1.00 0.00 N ATOM 1368 CA VAL A 91 5.192 -8.108 10.676 1.00 0.00 C ATOM 1369 C VAL A 91 4.091 -7.080 11.012 1.00 0.00 C ATOM 1370 O VAL A 91 3.054 -7.439 11.571 1.00 0.00 O ATOM 1371 CB VAL A 91 6.339 -8.036 11.753 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.818 -8.431 13.164 1.00 0.00 C ATOM 1373 CG2 VAL A 91 7.543 -8.923 11.340 1.00 0.00 C ATOM 0 H VAL A 91 6.670 -7.521 9.303 1.00 0.00 H new ATOM 0 HA VAL A 91 4.769 -9.112 10.699 1.00 0.00 H new ATOM 0 HB VAL A 91 6.680 -7.002 11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.635 -8.371 13.883 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.021 -7.749 13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.432 -9.450 13.137 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.322 -8.856 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.216 -9.959 11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.938 -8.578 10.384 1.00 0.00 H new ATOM 1383 N GLU A 92 4.316 -5.799 10.632 1.00 0.00 N ATOM 1384 CA GLU A 92 3.304 -4.735 10.811 1.00 0.00 C ATOM 1385 C GLU A 92 2.047 -5.058 9.987 1.00 0.00 C ATOM 1386 O GLU A 92 0.928 -4.958 10.488 1.00 0.00 O ATOM 1387 CB GLU A 92 3.843 -3.333 10.413 1.00 0.00 C ATOM 1388 CG GLU A 92 2.825 -2.185 10.638 1.00 0.00 C ATOM 1389 CD GLU A 92 3.382 -0.793 10.304 1.00 0.00 C ATOM 1390 OE1 GLU A 92 4.118 -0.222 11.141 1.00 0.00 O ATOM 1391 OE2 GLU A 92 3.100 -0.271 9.205 1.00 0.00 O ATOM 0 H GLU A 92 5.185 -5.481 10.202 1.00 0.00 H new ATOM 0 HA GLU A 92 3.056 -4.703 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.745 -3.124 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.131 -3.350 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.941 -2.370 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.501 -2.197 11.679 1.00 0.00 H new ATOM 1398 N MET A 93 2.276 -5.495 8.733 1.00 0.00 N ATOM 1399 CA MET A 93 1.217 -5.882 7.788 1.00 0.00 C ATOM 1400 C MET A 93 0.371 -7.023 8.366 1.00 0.00 C ATOM 1401 O MET A 93 -0.847 -7.035 8.213 1.00 0.00 O ATOM 1402 CB MET A 93 1.851 -6.278 6.425 1.00 0.00 C ATOM 1403 CG MET A 93 0.862 -6.741 5.344 1.00 0.00 C ATOM 1404 SD MET A 93 1.612 -6.858 3.704 1.00 0.00 S ATOM 1405 CE MET A 93 2.956 -8.011 3.967 1.00 0.00 C ATOM 0 H MET A 93 3.215 -5.589 8.346 1.00 0.00 H new ATOM 0 HA MET A 93 0.553 -5.034 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.408 -5.423 6.041 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.573 -7.076 6.598 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.457 -7.714 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.023 -6.046 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.029 -8.686 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.891 -7.461 4.075 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.768 -8.589 4.872 1.00 0.00 H new ATOM 1415 N ASP A 94 1.030 -7.934 9.095 1.00 0.00 N ATOM 1416 CA ASP A 94 0.361 -9.044 9.788 1.00 0.00 C ATOM 1417 C ASP A 94 -0.584 -8.519 10.884 1.00 0.00 C ATOM 1418 O ASP A 94 -1.779 -8.796 10.853 1.00 0.00 O ATOM 1419 CB ASP A 94 1.408 -10.016 10.395 1.00 0.00 C ATOM 1420 CG ASP A 94 0.777 -11.210 11.143 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.310 -12.160 10.477 1.00 0.00 O ATOM 1422 OD2 ASP A 94 0.746 -11.209 12.395 1.00 0.00 O ATOM 0 H ASP A 94 2.042 -7.922 9.221 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.236 -9.588 9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.047 -10.394 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.049 -9.464 11.083 1.00 0.00 H new ATOM 1427 N TRP A 95 -0.026 -7.715 11.808 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.737 -7.219 13.016 1.00 0.00 C ATOM 1429 C TRP A 95 -1.935 -6.304 12.665 1.00 0.00 C ATOM 1430 O TRP A 95 -2.935 -6.285 13.393 1.00 0.00 O ATOM 1431 CB TRP A 95 0.258 -6.471 13.954 1.00 0.00 C ATOM 1432 CG TRP A 95 1.310 -7.354 14.624 1.00 0.00 C ATOM 1433 CD1 TRP A 95 1.897 -8.478 14.119 1.00 0.00 C ATOM 1434 CD2 TRP A 95 1.906 -7.163 15.924 1.00 0.00 C ATOM 1435 NE1 TRP A 95 2.813 -8.977 15.004 1.00 0.00 N ATOM 1436 CE2 TRP A 95 2.837 -8.196 16.117 1.00 0.00 C ATOM 1437 CE3 TRP A 95 1.751 -6.205 16.938 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 3.600 -8.316 17.275 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 2.504 -6.325 18.091 1.00 0.00 C ATOM 1440 CH2 TRP A 95 3.424 -7.373 18.250 1.00 0.00 C ATOM 0 H TRP A 95 0.937 -7.385 11.743 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.141 -8.090 13.532 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.768 -5.701 13.376 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.313 -5.961 14.730 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.670 -8.912 13.156 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.388 -9.806 14.853 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.055 -5.388 16.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.305 -9.124 17.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.382 -5.600 18.883 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.004 -7.436 19.159 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.823 -5.559 11.545 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.884 -4.641 11.069 1.00 0.00 C ATOM 1453 C VAL A 96 -4.034 -5.425 10.396 1.00 0.00 C ATOM 1454 O VAL A 96 -5.214 -5.136 10.632 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.304 -3.552 10.084 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.418 -2.641 9.496 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.227 -2.687 10.788 1.00 0.00 C ATOM 0 H VAL A 96 -0.998 -5.575 10.946 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.285 -4.125 11.941 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.843 -4.090 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.972 -1.908 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.133 -3.251 8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.932 -2.125 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.843 -1.944 10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.670 -2.182 11.647 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.410 -3.326 11.124 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.681 -6.429 9.569 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.680 -7.284 8.883 1.00 0.00 C ATOM 1469 C LEU A 97 -5.338 -8.272 9.868 1.00 0.00 C ATOM 1470 O LEU A 97 -6.445 -8.758 9.627 1.00 0.00 O ATOM 1471 CB LEU A 97 -4.038 -8.060 7.694 1.00 0.00 C ATOM 1472 CG LEU A 97 -3.424 -7.192 6.547 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -2.842 -8.080 5.424 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -4.439 -6.173 5.991 1.00 0.00 C ATOM 0 H LEU A 97 -2.713 -6.671 9.358 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.453 -6.625 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.254 -8.705 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.798 -8.711 7.261 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.602 -6.621 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.423 -7.448 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.059 -8.718 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.633 -8.701 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.972 -5.591 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.305 -6.702 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.759 -5.505 6.791 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.650 -8.550 10.984 1.00 0.00 N ATOM 1487 CA LYS A 98 -5.111 -9.502 12.011 1.00 0.00 C ATOM 1488 C LYS A 98 -5.922 -8.761 13.083 1.00 0.00 C ATOM 1489 O LYS A 98 -6.831 -9.333 13.701 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.882 -10.214 12.631 1.00 0.00 C ATOM 1491 CG LYS A 98 -4.199 -11.343 13.636 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.934 -12.124 14.070 1.00 0.00 C ATOM 1493 CE LYS A 98 -2.216 -12.801 12.882 1.00 0.00 C ATOM 1494 NZ LYS A 98 -1.035 -13.586 13.305 1.00 0.00 N ATOM 0 H LYS A 98 -3.752 -8.119 11.203 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.759 -10.253 11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.280 -10.630 11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.268 -9.467 13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.679 -10.917 14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.913 -12.034 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.243 -11.442 14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.213 -12.883 14.801 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.917 -13.456 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.904 -12.039 12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.993 -14.471 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.171 -13.033 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.110 -13.807 14.318 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.574 -7.478 13.305 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.275 -6.594 14.249 1.00 0.00 C ATOM 1510 C HIS A 99 -6.446 -5.206 13.602 1.00 0.00 C ATOM 1511 O HIS A 99 -5.580 -4.326 13.748 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.495 -6.467 15.592 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.274 -7.753 16.326 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.181 -8.275 17.215 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -4.229 -8.611 16.311 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -5.708 -9.397 17.709 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -4.527 -9.624 17.177 1.00 0.00 N ATOM 0 H HIS A 99 -4.793 -7.026 12.830 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.251 -7.024 14.474 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.525 -6.012 15.389 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.037 -5.783 16.245 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.328 -8.513 15.724 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.206 -10.027 18.431 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.930 -10.426 17.378 1.00 0.00 H new