USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -4.65 K(o=-9.8,f=-11!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.712 USER MOD Set 1.3: A 107 MET CE :methyl 159:sc= -4.43! (180deg=-4.88!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 HIS : no HD1:sc= 0.00336 X(o=0.0069,f=0) USER MOD Set 2.3: A 48 SER OG : rot 59:sc= 0.00354 USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.0474 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.19 (180deg=-1.03) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.619 F(o=-2.6,f=-0.62) USER MOD Single : A 16 GLN : amide:sc= -0.401 K(o=-0.4,f=-2.1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -142:sc= 1.47 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-3.8!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.162 USER MOD Single : A 70 ASN : amide:sc= 0.193 K(o=0.19,f=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.448 K(o=0.45,f=-2.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.03 USER MOD Single : A 89 ASN : amide:sc= -2.79 X(o=-2.8,f=-2.4!) USER MOD Single : A 104 CYS SG : rot 15:sc= 0.117 USER MOD Single : A 106 MET CE :methyl -163:sc= -0.562 (180deg=-1.28) USER MOD Single : A 114 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.550 -18.728 -1.485 1.00 0.00 N ATOM 82 CA THR A 7 0.464 -17.950 -0.901 1.00 0.00 C ATOM 83 C THR A 7 0.094 -16.774 -1.798 1.00 0.00 C ATOM 84 O THR A 7 -0.764 -15.963 -1.449 1.00 0.00 O ATOM 85 CB THR A 7 0.862 -17.441 0.487 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.288 -17.154 1.264 1.00 0.00 O ATOM 87 CG2 THR A 7 1.714 -16.188 0.449 1.00 0.00 C ATOM 0 HA THR A 7 -0.406 -18.601 -0.807 1.00 0.00 H new ATOM 0 HB THR A 7 1.450 -18.245 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.930 -16.648 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.959 -15.884 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.633 -16.390 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.163 -15.388 -0.046 1.00 0.00 H new ATOM 95 N CYS A 8 0.750 -16.681 -2.950 1.00 0.00 N ATOM 96 CA CYS A 8 0.490 -15.594 -3.885 1.00 0.00 C ATOM 97 C CYS A 8 -0.029 -16.119 -5.223 1.00 0.00 C ATOM 98 O CYS A 8 0.737 -16.293 -6.170 1.00 0.00 O ATOM 99 CB CYS A 8 1.758 -14.766 -4.095 1.00 0.00 C ATOM 100 SG CYS A 8 2.798 -14.613 -2.604 1.00 0.00 S ATOM 0 H CYS A 8 1.463 -17.343 -3.257 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.284 -14.959 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.348 -15.219 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.477 -13.769 -4.434 1.00 0.00 H new ATOM 105 N PRO A 9 -1.347 -16.378 -5.314 1.00 0.00 N ATOM 106 CA PRO A 9 -1.969 -16.883 -6.539 1.00 0.00 C ATOM 107 C PRO A 9 -2.155 -15.795 -7.595 1.00 0.00 C ATOM 108 O PRO A 9 -1.490 -15.803 -8.631 1.00 0.00 O ATOM 109 CB PRO A 9 -3.323 -17.401 -6.055 1.00 0.00 C ATOM 110 CG PRO A 9 -3.646 -16.569 -4.861 1.00 0.00 C ATOM 111 CD PRO A 9 -2.330 -16.201 -4.226 1.00 0.00 C ATOM 0 HA PRO A 9 -1.355 -17.640 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.085 -17.297 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.272 -18.459 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.201 -15.676 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.273 -17.122 -4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.337 -15.175 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.104 -16.844 -3.375 1.00 0.00 H new ATOM 119 N GLU A 10 -3.064 -14.863 -7.327 1.00 0.00 N ATOM 120 CA GLU A 10 -3.340 -13.771 -8.257 1.00 0.00 C ATOM 121 C GLU A 10 -3.153 -12.415 -7.583 1.00 0.00 C ATOM 122 O GLU A 10 -2.148 -11.737 -7.801 1.00 0.00 O ATOM 123 CB GLU A 10 -4.763 -13.885 -8.811 1.00 0.00 C ATOM 124 CG GLU A 10 -5.346 -15.287 -8.720 1.00 0.00 C ATOM 125 CD GLU A 10 -5.968 -15.746 -10.024 1.00 0.00 C ATOM 126 OE1 GLU A 10 -5.249 -15.776 -11.045 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.172 -16.074 -10.025 1.00 0.00 O ATOM 0 H GLU A 10 -3.623 -14.841 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.630 -13.848 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.411 -13.196 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.763 -13.568 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.560 -15.985 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.100 -15.312 -7.933 1.00 0.00 H new ATOM 134 N LYS A 11 -4.130 -12.026 -6.768 1.00 0.00 N ATOM 135 CA LYS A 11 -4.079 -10.749 -6.061 1.00 0.00 C ATOM 136 C LYS A 11 -2.770 -10.607 -5.293 1.00 0.00 C ATOM 137 O LYS A 11 -2.137 -9.553 -5.310 1.00 0.00 O ATOM 138 CB LYS A 11 -5.263 -10.627 -5.100 1.00 0.00 C ATOM 139 CG LYS A 11 -6.600 -10.974 -5.734 1.00 0.00 C ATOM 140 CD LYS A 11 -7.750 -10.755 -4.764 1.00 0.00 C ATOM 141 CE LYS A 11 -8.492 -9.462 -5.062 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.030 -9.437 -6.450 1.00 0.00 N ATOM 0 H LYS A 11 -4.967 -12.577 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.136 -9.949 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.095 -11.282 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.306 -9.607 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.752 -10.363 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.590 -12.014 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.442 -11.595 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.367 -10.729 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.311 -9.342 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.820 -8.616 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.914 -8.890 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.334 -8.994 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.218 -10.410 -6.767 1.00 0.00 H new ATOM 156 N TRP A 12 -2.369 -11.681 -4.626 1.00 0.00 N ATOM 157 CA TRP A 12 -1.135 -11.694 -3.856 1.00 0.00 C ATOM 158 C TRP A 12 0.073 -11.703 -4.792 1.00 0.00 C ATOM 159 O TRP A 12 0.056 -12.364 -5.831 1.00 0.00 O ATOM 160 CB TRP A 12 -1.093 -12.914 -2.938 1.00 0.00 C ATOM 161 CG TRP A 12 -2.130 -12.892 -1.855 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.474 -12.701 -2.005 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.904 -13.075 -0.451 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.097 -12.752 -0.782 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.155 -12.979 0.188 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.767 -13.309 0.326 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.299 -13.111 1.567 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.911 -13.438 1.694 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.168 -13.340 2.302 1.00 0.00 C ATOM 0 H TRP A 12 -2.886 -12.560 -4.604 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.101 -10.793 -3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.227 -13.814 -3.538 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.105 -12.980 -2.481 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.974 -12.534 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.098 -12.639 -0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.207 -13.388 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.268 -13.035 2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.039 -13.618 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.247 -13.447 3.374 1.00 0.00 H new ATOM 180 N ILE A 13 1.115 -10.965 -4.425 1.00 0.00 N ATOM 181 CA ILE A 13 2.323 -10.890 -5.243 1.00 0.00 C ATOM 182 C ILE A 13 3.586 -11.067 -4.402 1.00 0.00 C ATOM 183 O ILE A 13 3.793 -10.352 -3.426 1.00 0.00 O ATOM 184 CB ILE A 13 2.412 -9.544 -5.990 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.063 -8.806 -5.956 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.875 -9.769 -7.418 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.156 -9.103 -7.138 1.00 0.00 C ATOM 0 H ILE A 13 1.149 -10.411 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 13 2.257 -11.704 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 13 3.145 -8.914 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.541 -9.071 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.250 -7.733 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.934 -8.812 -7.936 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.858 -10.240 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.166 -10.417 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.773 -8.542 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.655 -8.811 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.066 -10.170 -7.167 1.00 0.00 H new ATOM 199 N ASN A 14 4.433 -12.018 -4.795 1.00 0.00 N ATOM 200 CA ASN A 14 5.680 -12.288 -4.079 1.00 0.00 C ATOM 201 C ASN A 14 6.888 -11.771 -4.854 1.00 0.00 C ATOM 202 O ASN A 14 6.856 -11.676 -6.081 1.00 0.00 O ATOM 203 CB ASN A 14 5.831 -13.785 -3.812 1.00 0.00 C ATOM 204 CG ASN A 14 7.177 -14.135 -3.205 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.364 -13.782 -1.939 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.038 -14.715 -3.866 1.00 0.00 N flip ATOM 0 H ASN A 14 4.278 -12.616 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 14 5.636 -11.760 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.037 -14.113 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.704 -14.332 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.852 -14.968 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.938 -14.943 -3.443 1.00 0.00 H new ATOM 213 N PHE A 15 7.951 -11.432 -4.127 1.00 0.00 N ATOM 214 CA PHE A 15 9.167 -10.916 -4.743 1.00 0.00 C ATOM 215 C PHE A 15 10.402 -11.647 -4.216 1.00 0.00 C ATOM 216 O PHE A 15 10.449 -12.878 -4.220 1.00 0.00 O ATOM 217 CB PHE A 15 9.289 -9.412 -4.486 1.00 0.00 C ATOM 218 CG PHE A 15 7.984 -8.679 -4.589 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.547 -8.177 -5.805 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.193 -8.493 -3.468 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.344 -7.504 -5.899 1.00 0.00 C ATOM 222 CE2 PHE A 15 5.990 -7.821 -3.555 1.00 0.00 C ATOM 223 CZ PHE A 15 5.564 -7.326 -4.772 1.00 0.00 C ATOM 0 H PHE A 15 7.993 -11.506 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 15 9.106 -11.089 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.708 -9.254 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.993 -8.985 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.153 -8.313 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.521 -8.878 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.014 -7.118 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.383 -7.683 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.623 -6.801 -4.843 1.00 0.00 H new ATOM 233 N GLN A 16 11.402 -10.886 -3.767 1.00 0.00 N ATOM 234 CA GLN A 16 12.632 -11.465 -3.241 1.00 0.00 C ATOM 235 C GLN A 16 12.332 -12.535 -2.197 1.00 0.00 C ATOM 236 O GLN A 16 12.924 -13.614 -2.214 1.00 0.00 O ATOM 237 CB GLN A 16 13.517 -10.374 -2.632 1.00 0.00 C ATOM 238 CG GLN A 16 12.757 -9.398 -1.747 1.00 0.00 C ATOM 239 CD GLN A 16 13.038 -7.951 -2.101 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.135 -7.114 -2.103 1.00 0.00 O ATOM 241 NE2 GLN A 16 14.295 -7.649 -2.402 1.00 0.00 N ATOM 0 H GLN A 16 11.381 -9.866 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 16 13.163 -11.933 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.307 -10.844 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.002 -9.821 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.688 -9.589 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.026 -9.572 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.011 -8.375 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.545 -6.691 -2.648 1.00 0.00 H new ATOM 250 N ARG A 17 11.406 -12.232 -1.290 1.00 0.00 N ATOM 251 CA ARG A 17 11.032 -13.176 -0.245 1.00 0.00 C ATOM 252 C ARG A 17 9.733 -12.765 0.439 1.00 0.00 C ATOM 253 O ARG A 17 9.234 -13.471 1.314 1.00 0.00 O ATOM 254 CB ARG A 17 12.153 -13.299 0.789 1.00 0.00 C ATOM 255 CG ARG A 17 12.789 -14.678 0.835 1.00 0.00 C ATOM 256 CD ARG A 17 11.996 -15.627 1.720 1.00 0.00 C ATOM 257 NE ARG A 17 12.546 -15.705 3.070 1.00 0.00 N ATOM 258 CZ ARG A 17 12.893 -16.844 3.662 1.00 0.00 C ATOM 259 NH1 ARG A 17 12.747 -17.998 3.024 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.386 -16.830 4.893 1.00 0.00 N ATOM 0 H ARG A 17 10.904 -11.344 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 17 10.873 -14.146 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.923 -12.560 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.755 -13.059 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.851 -15.085 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.810 -14.597 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.959 -15.295 1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.991 -16.621 1.273 1.00 0.00 H new ATOM 0 HE ARG A 17 12.671 -14.836 3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.368 -18.013 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.014 -18.870 3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.499 -15.945 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.652 -17.704 5.346 1.00 0.00 H new ATOM 274 N LYS A 18 9.184 -11.625 0.033 1.00 0.00 N ATOM 275 CA LYS A 18 7.944 -11.136 0.607 1.00 0.00 C ATOM 276 C LYS A 18 6.833 -11.145 -0.420 1.00 0.00 C ATOM 277 O LYS A 18 7.071 -11.123 -1.623 1.00 0.00 O ATOM 278 CB LYS A 18 8.101 -9.721 1.147 1.00 0.00 C ATOM 279 CG LYS A 18 8.319 -8.683 0.065 1.00 0.00 C ATOM 280 CD LYS A 18 9.643 -7.965 0.248 1.00 0.00 C ATOM 281 CE LYS A 18 9.443 -6.551 0.767 1.00 0.00 C ATOM 282 NZ LYS A 18 10.702 -5.976 1.316 1.00 0.00 N ATOM 0 H LYS A 18 9.581 -11.026 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 18 7.689 -11.805 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.211 -9.458 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.943 -9.696 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.296 -9.164 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.505 -7.959 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.268 -8.524 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.175 -7.933 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.076 -5.917 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.677 -6.554 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.522 -5.011 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.039 -6.566 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.426 -5.949 0.569 1.00 0.00 H new ATOM 296 N CYS A 19 5.621 -11.158 0.081 1.00 0.00 N ATOM 297 CA CYS A 19 4.441 -11.152 -0.759 1.00 0.00 C ATOM 298 C CYS A 19 3.543 -9.984 -0.385 1.00 0.00 C ATOM 299 O CYS A 19 3.721 -9.364 0.663 1.00 0.00 O ATOM 300 CB CYS A 19 3.680 -12.476 -0.635 1.00 0.00 C ATOM 301 SG CYS A 19 2.415 -12.738 -1.922 1.00 0.00 S ATOM 0 H CYS A 19 5.422 -11.173 1.081 1.00 0.00 H new ATOM 0 HA CYS A 19 4.753 -11.038 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.395 -13.298 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.200 -12.516 0.343 1.00 0.00 H new ATOM 306 N TYR A 20 2.583 -9.688 -1.243 1.00 0.00 N ATOM 307 CA TYR A 20 1.658 -8.591 -1.008 1.00 0.00 C ATOM 308 C TYR A 20 0.232 -9.102 -1.057 1.00 0.00 C ATOM 309 O TYR A 20 -0.140 -9.834 -1.969 1.00 0.00 O ATOM 310 CB TYR A 20 1.822 -7.499 -2.074 1.00 0.00 C ATOM 311 CG TYR A 20 2.974 -6.541 -1.853 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.010 -6.832 -0.973 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.014 -5.333 -2.535 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.053 -5.944 -0.784 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.051 -4.441 -2.350 1.00 0.00 C ATOM 316 CZ TYR A 20 5.068 -4.750 -1.473 1.00 0.00 C ATOM 317 OH TYR A 20 6.104 -3.863 -1.286 1.00 0.00 O ATOM 0 H TYR A 20 2.422 -10.194 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 20 1.877 -8.171 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.952 -7.979 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.898 -6.923 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.000 -7.765 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.219 -5.086 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.853 -6.185 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.065 -3.506 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 20 5.963 -3.072 -1.847 1.00 0.00 H new ATOM 327 N TYR A 21 -0.568 -8.698 -0.089 1.00 0.00 N ATOM 328 CA TYR A 21 -1.956 -9.103 -0.045 1.00 0.00 C ATOM 329 C TYR A 21 -2.809 -7.989 -0.631 1.00 0.00 C ATOM 330 O TYR A 21 -2.943 -6.914 -0.047 1.00 0.00 O ATOM 331 CB TYR A 21 -2.367 -9.411 1.399 1.00 0.00 C ATOM 332 CG TYR A 21 -3.859 -9.390 1.640 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.738 -9.989 0.746 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.386 -8.773 2.765 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.100 -9.973 0.966 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.746 -8.751 2.995 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.601 -9.353 2.093 1.00 0.00 C ATOM 338 OH TYR A 21 -7.958 -9.333 2.318 1.00 0.00 O ATOM 0 H TYR A 21 -0.279 -8.090 0.677 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.102 -10.009 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.981 -10.393 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.894 -8.686 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.348 -10.475 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.720 -8.302 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.770 -10.443 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.140 -8.266 3.876 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.144 -8.858 3.155 1.00 0.00 H new ATOM 348 N PHE A 22 -3.358 -8.252 -1.806 1.00 0.00 N ATOM 349 CA PHE A 22 -4.172 -7.280 -2.509 1.00 0.00 C ATOM 350 C PHE A 22 -5.658 -7.574 -2.324 1.00 0.00 C ATOM 351 O PHE A 22 -6.115 -8.690 -2.575 1.00 0.00 O ATOM 352 CB PHE A 22 -3.805 -7.309 -3.996 1.00 0.00 C ATOM 353 CG PHE A 22 -2.475 -6.676 -4.330 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.645 -6.182 -3.333 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.050 -6.588 -5.648 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.425 -5.611 -3.646 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.829 -6.018 -5.965 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.016 -5.529 -4.962 1.00 0.00 C ATOM 0 H PHE A 22 -3.251 -9.141 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.978 -6.289 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.794 -8.345 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.586 -6.799 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.956 -6.244 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.681 -6.970 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.209 -5.229 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.513 -5.956 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.937 -5.084 -5.206 1.00 0.00 H new ATOM 368 N GLY A 23 -6.407 -6.568 -1.884 1.00 0.00 N ATOM 369 CA GLY A 23 -7.832 -6.742 -1.673 1.00 0.00 C ATOM 370 C GLY A 23 -8.630 -5.505 -2.038 1.00 0.00 C ATOM 371 O GLY A 23 -8.077 -4.531 -2.551 1.00 0.00 O ATOM 0 H GLY A 23 -6.053 -5.636 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.183 -7.585 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.013 -6.992 -0.628 1.00 0.00 H new ATOM 375 N LYS A 24 -9.932 -5.545 -1.776 1.00 0.00 N ATOM 376 CA LYS A 24 -10.809 -4.421 -2.080 1.00 0.00 C ATOM 377 C LYS A 24 -11.505 -3.917 -0.820 1.00 0.00 C ATOM 378 O LYS A 24 -11.701 -4.668 0.137 1.00 0.00 O ATOM 379 CB LYS A 24 -11.846 -4.827 -3.130 1.00 0.00 C ATOM 380 CG LYS A 24 -12.914 -3.773 -3.380 1.00 0.00 C ATOM 381 CD LYS A 24 -14.054 -4.324 -4.222 1.00 0.00 C ATOM 382 CE LYS A 24 -15.257 -3.394 -4.208 1.00 0.00 C ATOM 383 NZ LYS A 24 -16.218 -3.746 -3.126 1.00 0.00 N ATOM 0 H LYS A 24 -10.403 -6.345 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.199 -3.611 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.334 -5.041 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.329 -5.751 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.304 -3.415 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.469 -2.915 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.714 -4.466 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.346 -5.304 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.920 -2.366 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.763 -3.440 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.024 -3.089 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.560 -4.718 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.743 -3.677 -2.204 1.00 0.00 H new ATOM 440 N GLN A 28 -10.675 4.547 4.643 1.00 0.00 N ATOM 441 CA GLN A 28 -9.592 5.513 4.780 1.00 0.00 C ATOM 442 C GLN A 28 -8.247 4.806 4.914 1.00 0.00 C ATOM 443 O GLN A 28 -8.185 3.578 4.975 1.00 0.00 O ATOM 444 CB GLN A 28 -9.832 6.412 5.995 1.00 0.00 C ATOM 445 CG GLN A 28 -10.974 7.397 5.808 1.00 0.00 C ATOM 446 CD GLN A 28 -11.494 7.943 7.123 1.00 0.00 C ATOM 447 OE1 GLN A 28 -12.688 7.868 7.411 1.00 0.00 O ATOM 448 NE2 GLN A 28 -10.596 8.498 7.929 1.00 0.00 N ATOM 0 HA GLN A 28 -9.571 6.128 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.041 5.787 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.918 6.965 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.637 8.224 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.788 6.906 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.616 8.539 7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.886 8.884 8.827 1.00 0.00 H new ATOM 457 N TRP A 29 -7.172 5.589 4.960 1.00 0.00 N ATOM 458 CA TRP A 29 -5.829 5.035 5.088 1.00 0.00 C ATOM 459 C TRP A 29 -5.661 4.314 6.420 1.00 0.00 C ATOM 460 O TRP A 29 -5.162 3.190 6.473 1.00 0.00 O ATOM 461 CB TRP A 29 -4.779 6.141 4.959 1.00 0.00 C ATOM 462 CG TRP A 29 -3.388 5.669 5.252 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.502 5.131 4.364 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.726 5.686 6.521 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.331 4.810 5.004 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.442 5.144 6.329 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.093 6.110 7.802 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.526 5.012 7.370 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.183 5.978 8.834 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.912 5.434 8.612 1.00 0.00 C ATOM 0 H TRP A 29 -7.206 6.607 4.911 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.686 4.314 4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.812 6.549 3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.031 6.954 5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.694 4.980 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.511 4.391 4.565 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.070 6.533 7.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.454 4.591 7.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.457 6.300 9.828 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.223 5.346 9.439 1.00 0.00 H new ATOM 481 N VAL A 30 -6.080 4.973 7.493 1.00 0.00 N ATOM 482 CA VAL A 30 -5.979 4.405 8.831 1.00 0.00 C ATOM 483 C VAL A 30 -6.665 3.047 8.899 1.00 0.00 C ATOM 484 O VAL A 30 -6.258 2.172 9.663 1.00 0.00 O ATOM 485 CB VAL A 30 -6.599 5.336 9.889 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.705 6.544 10.127 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.993 5.773 9.467 1.00 0.00 C ATOM 0 H VAL A 30 -6.494 5.905 7.462 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.917 4.287 9.046 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.684 4.784 10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.159 7.191 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.729 6.210 10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.586 7.098 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.414 6.430 10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.935 6.306 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.630 4.896 9.352 1.00 0.00 H new ATOM 497 N HIS A 31 -7.706 2.876 8.097 1.00 0.00 N ATOM 498 CA HIS A 31 -8.442 1.622 8.071 1.00 0.00 C ATOM 499 C HIS A 31 -7.622 0.530 7.393 1.00 0.00 C ATOM 500 O HIS A 31 -7.728 -0.644 7.747 1.00 0.00 O ATOM 501 CB HIS A 31 -9.780 1.800 7.351 1.00 0.00 C ATOM 502 CG HIS A 31 -10.876 2.287 8.245 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.090 3.624 8.515 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.824 1.611 8.936 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.122 3.746 9.332 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.585 2.540 9.601 1.00 0.00 N ATOM 0 H HIS A 31 -8.059 3.588 7.458 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.636 1.321 9.100 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.651 2.505 6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.077 0.848 6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.957 0.539 8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.519 4.675 9.714 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.380 2.332 10.205 1.00 0.00 H new ATOM 515 N ALA A 32 -6.800 0.922 6.423 1.00 0.00 N ATOM 516 CA ALA A 32 -5.966 -0.036 5.711 1.00 0.00 C ATOM 517 C ALA A 32 -4.851 -0.552 6.610 1.00 0.00 C ATOM 518 O ALA A 32 -4.635 -1.757 6.715 1.00 0.00 O ATOM 519 CB ALA A 32 -5.385 0.597 4.457 1.00 0.00 C ATOM 0 H ALA A 32 -6.695 1.889 6.115 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.589 -0.881 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.764 -0.132 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.195 0.918 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.778 1.460 4.732 1.00 0.00 H new ATOM 525 N ARG A 33 -4.153 0.368 7.267 1.00 0.00 N ATOM 526 CA ARG A 33 -3.068 0.002 8.165 1.00 0.00 C ATOM 527 C ARG A 33 -3.577 -0.874 9.303 1.00 0.00 C ATOM 528 O ARG A 33 -2.907 -1.818 9.720 1.00 0.00 O ATOM 529 CB ARG A 33 -2.390 1.253 8.732 1.00 0.00 C ATOM 530 CG ARG A 33 -3.354 2.232 9.377 1.00 0.00 C ATOM 531 CD ARG A 33 -2.756 2.863 10.624 1.00 0.00 C ATOM 532 NE ARG A 33 -3.679 3.799 11.261 1.00 0.00 N ATOM 533 CZ ARG A 33 -3.906 3.837 12.570 1.00 0.00 C ATOM 534 NH1 ARG A 33 -3.280 2.993 13.380 1.00 0.00 N ATOM 535 NH2 ARG A 33 -4.760 4.718 13.072 1.00 0.00 N ATOM 0 H ARG A 33 -4.320 1.371 7.193 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.336 -0.565 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.647 0.950 9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.854 1.760 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.614 3.013 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.279 1.716 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.487 2.080 11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.836 3.384 10.361 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.178 4.461 10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.623 2.313 12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.456 3.024 14.384 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.244 5.368 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.933 4.745 14.077 1.00 0.00 H new ATOM 549 N TYR A 34 -4.766 -0.553 9.802 1.00 0.00 N ATOM 550 CA TYR A 34 -5.365 -1.313 10.891 1.00 0.00 C ATOM 551 C TYR A 34 -5.838 -2.679 10.408 1.00 0.00 C ATOM 552 O TYR A 34 -5.825 -3.653 11.162 1.00 0.00 O ATOM 553 CB TYR A 34 -6.536 -0.539 11.499 1.00 0.00 C ATOM 554 CG TYR A 34 -6.443 -0.379 13.000 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.916 -1.370 13.852 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.883 0.759 13.563 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.834 -1.228 15.225 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.796 0.908 14.935 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.273 -0.088 15.761 1.00 0.00 C ATOM 560 OH TYR A 34 -6.188 0.055 17.126 1.00 0.00 O ATOM 0 H TYR A 34 -5.333 0.227 9.470 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.603 -1.464 11.656 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.586 0.448 11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.466 -1.052 11.254 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.354 -2.265 13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.509 1.541 12.919 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.207 -2.006 15.874 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.357 1.800 15.357 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.766 0.914 17.339 1.00 0.00 H new ATOM 570 N ALA A 35 -6.257 -2.744 9.149 1.00 0.00 N ATOM 571 CA ALA A 35 -6.735 -3.991 8.569 1.00 0.00 C ATOM 572 C ALA A 35 -5.596 -4.980 8.373 1.00 0.00 C ATOM 573 O ALA A 35 -5.745 -6.174 8.634 1.00 0.00 O ATOM 574 CB ALA A 35 -7.445 -3.726 7.250 1.00 0.00 C ATOM 0 H ALA A 35 -6.275 -1.948 8.512 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.446 -4.435 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.796 -4.669 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.295 -3.066 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.753 -3.253 6.553 1.00 0.00 H new ATOM 580 N CYS A 36 -4.456 -4.477 7.919 1.00 0.00 N ATOM 581 CA CYS A 36 -3.289 -5.318 7.697 1.00 0.00 C ATOM 582 C CYS A 36 -2.638 -5.675 9.026 1.00 0.00 C ATOM 583 O CYS A 36 -1.998 -6.718 9.158 1.00 0.00 O ATOM 584 CB CYS A 36 -2.281 -4.610 6.790 1.00 0.00 C ATOM 585 SG CYS A 36 -3.036 -3.688 5.411 1.00 0.00 S ATOM 0 H CYS A 36 -4.315 -3.491 7.698 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.613 -6.235 7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.689 -3.921 7.392 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.592 -5.351 6.383 1.00 0.00 H new ATOM 590 N ASP A 37 -2.812 -4.798 10.009 1.00 0.00 N ATOM 591 CA ASP A 37 -2.249 -5.011 11.336 1.00 0.00 C ATOM 592 C ASP A 37 -3.038 -6.070 12.101 1.00 0.00 C ATOM 593 O ASP A 37 -2.525 -6.686 13.037 1.00 0.00 O ATOM 594 CB ASP A 37 -2.236 -3.700 12.125 1.00 0.00 C ATOM 595 CG ASP A 37 -1.143 -3.667 13.175 1.00 0.00 C ATOM 596 OD1 ASP A 37 -1.277 -4.378 14.194 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.154 -2.931 12.978 1.00 0.00 O ATOM 0 H ASP A 37 -3.340 -3.931 9.911 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.225 -5.365 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.099 -2.866 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.203 -3.560 12.607 1.00 0.00 H new ATOM 602 N ASP A 38 -4.290 -6.268 11.701 1.00 0.00 N ATOM 603 CA ASP A 38 -5.159 -7.243 12.352 1.00 0.00 C ATOM 604 C ASP A 38 -4.560 -8.645 12.300 1.00 0.00 C ATOM 605 O ASP A 38 -4.648 -9.401 13.268 1.00 0.00 O ATOM 606 CB ASP A 38 -6.540 -7.244 11.694 1.00 0.00 C ATOM 607 CG ASP A 38 -7.569 -8.001 12.509 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.717 -7.695 13.711 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.229 -8.900 11.946 1.00 0.00 O ATOM 0 H ASP A 38 -4.726 -5.766 10.928 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.257 -6.954 13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.875 -6.216 11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.466 -7.690 10.702 1.00 0.00 H new ATOM 614 N MET A 39 -3.953 -8.986 11.167 1.00 0.00 N ATOM 615 CA MET A 39 -3.341 -10.302 10.993 1.00 0.00 C ATOM 616 C MET A 39 -2.691 -10.441 9.617 1.00 0.00 C ATOM 617 O MET A 39 -1.754 -11.221 9.446 1.00 0.00 O ATOM 618 CB MET A 39 -4.386 -11.405 11.179 1.00 0.00 C ATOM 619 CG MET A 39 -5.613 -11.235 10.297 1.00 0.00 C ATOM 620 SD MET A 39 -5.864 -12.629 9.181 1.00 0.00 S ATOM 621 CE MET A 39 -6.997 -13.631 10.139 1.00 0.00 C ATOM 0 H MET A 39 -3.871 -8.372 10.357 1.00 0.00 H new ATOM 0 HA MET A 39 -2.564 -10.404 11.751 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.926 -12.370 10.965 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.699 -11.425 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.495 -11.115 10.927 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.512 -10.320 9.713 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.247 -14.533 9.580 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.528 -13.908 11.083 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.906 -13.063 10.338 1.00 0.00 H new ATOM 631 N GLU A 40 -3.202 -9.693 8.640 1.00 0.00 N ATOM 632 CA GLU A 40 -2.680 -9.740 7.277 1.00 0.00 C ATOM 633 C GLU A 40 -1.153 -9.666 7.261 1.00 0.00 C ATOM 634 O GLU A 40 -0.475 -10.694 7.297 1.00 0.00 O ATOM 635 CB GLU A 40 -3.275 -8.604 6.442 1.00 0.00 C ATOM 636 CG GLU A 40 -4.793 -8.639 6.361 1.00 0.00 C ATOM 637 CD GLU A 40 -5.335 -10.032 6.105 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.794 -10.727 5.219 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.300 -10.429 6.792 1.00 0.00 O ATOM 0 H GLU A 40 -3.980 -9.046 8.769 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.973 -10.694 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.964 -7.650 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.864 -8.652 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.211 -8.257 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.125 -7.973 5.565 1.00 0.00 H new ATOM 646 N GLY A 41 -0.611 -8.451 7.199 1.00 0.00 N ATOM 647 CA GLY A 41 0.833 -8.292 7.177 1.00 0.00 C ATOM 648 C GLY A 41 1.298 -6.944 7.691 1.00 0.00 C ATOM 649 O GLY A 41 1.497 -6.758 8.892 1.00 0.00 O ATOM 0 H GLY A 41 -1.142 -7.581 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.287 -9.079 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.190 -8.426 6.156 1.00 0.00 H new ATOM 653 N GLN A 42 1.493 -6.017 6.768 1.00 0.00 N ATOM 654 CA GLN A 42 1.966 -4.680 7.080 1.00 0.00 C ATOM 655 C GLN A 42 1.484 -3.743 6.001 1.00 0.00 C ATOM 656 O GLN A 42 1.122 -4.193 4.921 1.00 0.00 O ATOM 657 CB GLN A 42 3.494 -4.652 7.132 1.00 0.00 C ATOM 658 CG GLN A 42 4.081 -3.249 7.144 1.00 0.00 C ATOM 659 CD GLN A 42 5.594 -3.247 7.064 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.273 -3.837 7.905 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.131 -2.579 6.050 1.00 0.00 N ATOM 0 H GLN A 42 1.326 -6.173 5.774 1.00 0.00 H new ATOM 0 HA GLN A 42 1.582 -4.375 8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.828 -5.183 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.888 -5.193 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.676 -2.683 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.769 -2.737 8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.530 -2.105 5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.145 -2.540 5.945 1.00 0.00 H new ATOM 670 N LEU A 43 1.480 -2.450 6.248 1.00 0.00 N ATOM 671 CA LEU A 43 1.042 -1.570 5.204 1.00 0.00 C ATOM 672 C LEU A 43 2.165 -1.518 4.182 1.00 0.00 C ATOM 673 O LEU A 43 3.270 -1.047 4.454 1.00 0.00 O ATOM 674 CB LEU A 43 0.737 -0.180 5.768 1.00 0.00 C ATOM 675 CG LEU A 43 -0.430 0.565 5.116 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.691 -0.278 5.134 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.669 1.888 5.825 1.00 0.00 C ATOM 0 H LEU A 43 1.762 -2.007 7.122 1.00 0.00 H new ATOM 0 HA LEU A 43 0.122 -1.928 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.530 -0.279 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.633 0.434 5.673 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.170 0.763 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.505 0.275 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.518 -1.204 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.958 -0.511 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.502 2.409 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.905 1.702 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.228 2.503 5.759 1.00 0.00 H new ATOM 689 N VAL A 44 1.850 -2.070 3.020 1.00 0.00 N ATOM 690 CA VAL A 44 2.766 -2.198 1.893 1.00 0.00 C ATOM 691 C VAL A 44 3.915 -1.203 1.909 1.00 0.00 C ATOM 692 O VAL A 44 5.066 -1.576 2.142 1.00 0.00 O ATOM 693 CB VAL A 44 2.000 -2.076 0.571 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.759 -3.450 -0.018 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.685 -1.346 0.789 1.00 0.00 C ATOM 0 H VAL A 44 0.924 -2.453 2.828 1.00 0.00 H new ATOM 0 HA VAL A 44 3.214 -3.187 1.988 1.00 0.00 H new ATOM 0 HB VAL A 44 2.599 -1.498 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.214 -3.353 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.715 -3.940 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.174 -4.048 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.152 -1.267 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.076 -1.900 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.883 -0.347 1.178 1.00 0.00 H new ATOM 705 N SER A 45 3.605 0.048 1.628 1.00 0.00 N ATOM 706 CA SER A 45 4.622 1.094 1.576 1.00 0.00 C ATOM 707 C SER A 45 5.609 0.791 0.455 1.00 0.00 C ATOM 708 O SER A 45 6.823 0.775 0.661 1.00 0.00 O ATOM 709 CB SER A 45 5.360 1.200 2.909 1.00 0.00 C ATOM 710 OG SER A 45 5.832 2.518 3.123 1.00 0.00 O ATOM 0 H SER A 45 2.657 0.370 1.431 1.00 0.00 H new ATOM 0 HA SER A 45 4.132 2.048 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.694 0.912 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.198 0.503 2.922 1.00 0.00 H new ATOM 0 HG SER A 45 6.714 2.484 3.548 1.00 0.00 H new ATOM 716 N ILE A 46 5.060 0.531 -0.726 1.00 0.00 N ATOM 717 CA ILE A 46 5.848 0.200 -1.909 1.00 0.00 C ATOM 718 C ILE A 46 7.097 1.066 -2.024 1.00 0.00 C ATOM 719 O ILE A 46 7.076 2.256 -1.706 1.00 0.00 O ATOM 720 CB ILE A 46 5.024 0.339 -3.208 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.723 1.113 -2.956 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.734 -1.033 -3.798 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.597 0.269 -2.392 1.00 0.00 C ATOM 0 H ILE A 46 4.054 0.544 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 46 6.147 -0.841 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 46 5.613 0.907 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.928 1.932 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.392 1.560 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.153 -0.920 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.673 -1.537 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.168 -1.626 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.715 0.892 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.361 -0.535 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.905 -0.157 -1.437 1.00 0.00 H new ATOM 735 N HIS A 47 8.185 0.454 -2.484 1.00 0.00 N ATOM 736 CA HIS A 47 9.451 1.155 -2.649 1.00 0.00 C ATOM 737 C HIS A 47 10.066 0.850 -4.010 1.00 0.00 C ATOM 738 O HIS A 47 11.129 1.368 -4.351 1.00 0.00 O ATOM 739 CB HIS A 47 10.425 0.761 -1.538 1.00 0.00 C ATOM 740 CG HIS A 47 10.431 -0.707 -1.239 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.187 -1.616 -1.948 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.766 -1.422 -0.302 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.987 -2.827 -1.460 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.129 -2.737 -0.461 1.00 0.00 N ATOM 0 H HIS A 47 8.213 -0.530 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 47 9.256 2.226 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.431 1.070 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.168 1.307 -0.630 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.078 -1.031 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.447 -3.736 -1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.790 -3.518 0.102 1.00 0.00 H new ATOM 753 N SER A 48 9.389 0.008 -4.787 1.00 0.00 N ATOM 754 CA SER A 48 9.865 -0.361 -6.111 1.00 0.00 C ATOM 755 C SER A 48 8.849 0.038 -7.168 1.00 0.00 C ATOM 756 O SER A 48 7.691 -0.372 -7.105 1.00 0.00 O ATOM 757 CB SER A 48 10.133 -1.865 -6.181 1.00 0.00 C ATOM 758 OG SER A 48 11.237 -2.226 -5.367 1.00 0.00 O ATOM 0 H SER A 48 8.508 -0.430 -4.519 1.00 0.00 H new ATOM 0 HA SER A 48 10.797 0.170 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.246 -2.411 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.328 -2.155 -7.213 1.00 0.00 H new ATOM 0 HG SER A 48 11.058 -1.966 -4.439 1.00 0.00 H new ATOM 764 N PRO A 49 9.265 0.846 -8.159 1.00 0.00 N ATOM 765 CA PRO A 49 8.375 1.290 -9.231 1.00 0.00 C ATOM 766 C PRO A 49 7.553 0.138 -9.792 1.00 0.00 C ATOM 767 O PRO A 49 6.429 0.331 -10.255 1.00 0.00 O ATOM 768 CB PRO A 49 9.341 1.833 -10.282 1.00 0.00 C ATOM 769 CG PRO A 49 10.513 2.312 -9.496 1.00 0.00 C ATOM 770 CD PRO A 49 10.631 1.384 -8.316 1.00 0.00 C ATOM 0 HA PRO A 49 7.644 2.025 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.629 1.060 -10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.890 2.642 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.421 2.293 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.369 3.342 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.355 0.591 -8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.959 1.913 -7.421 1.00 0.00 H new ATOM 778 N GLU A 50 8.119 -1.063 -9.733 1.00 0.00 N ATOM 779 CA GLU A 50 7.442 -2.254 -10.220 1.00 0.00 C ATOM 780 C GLU A 50 6.325 -2.668 -9.276 1.00 0.00 C ATOM 781 O GLU A 50 5.216 -2.974 -9.708 1.00 0.00 O ATOM 782 CB GLU A 50 8.428 -3.408 -10.376 1.00 0.00 C ATOM 783 CG GLU A 50 7.766 -4.719 -10.753 1.00 0.00 C ATOM 784 CD GLU A 50 8.639 -5.922 -10.454 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.693 -6.339 -9.277 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.268 -6.448 -11.395 1.00 0.00 O ATOM 0 H GLU A 50 9.049 -1.235 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 50 7.012 -2.015 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.162 -3.148 -11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.972 -3.540 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.825 -4.815 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.523 -4.706 -11.816 1.00 0.00 H new ATOM 793 N GLU A 51 6.631 -2.686 -7.985 1.00 0.00 N ATOM 794 CA GLU A 51 5.658 -3.075 -6.978 1.00 0.00 C ATOM 795 C GLU A 51 4.505 -2.078 -6.930 1.00 0.00 C ATOM 796 O GLU A 51 3.341 -2.470 -6.851 1.00 0.00 O ATOM 797 CB GLU A 51 6.327 -3.189 -5.608 1.00 0.00 C ATOM 798 CG GLU A 51 7.497 -4.160 -5.581 1.00 0.00 C ATOM 799 CD GLU A 51 8.091 -4.316 -4.196 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.386 -3.285 -3.557 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.263 -5.471 -3.751 1.00 0.00 O ATOM 0 H GLU A 51 7.547 -2.435 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 51 5.254 -4.050 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.676 -2.203 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.585 -3.507 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.165 -5.133 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.269 -3.812 -6.267 1.00 0.00 H new ATOM 808 N GLN A 52 4.834 -0.792 -6.992 1.00 0.00 N ATOM 809 CA GLN A 52 3.817 0.253 -6.970 1.00 0.00 C ATOM 810 C GLN A 52 2.965 0.174 -8.231 1.00 0.00 C ATOM 811 O GLN A 52 1.747 0.328 -8.181 1.00 0.00 O ATOM 812 CB GLN A 52 4.464 1.638 -6.835 1.00 0.00 C ATOM 813 CG GLN A 52 4.864 2.270 -8.161 1.00 0.00 C ATOM 814 CD GLN A 52 3.884 3.330 -8.633 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.238 4.204 -9.424 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.646 3.264 -8.150 1.00 0.00 N ATOM 0 H GLN A 52 5.792 -0.449 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 52 3.174 0.099 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.769 2.303 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.348 1.554 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.853 2.717 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.942 1.491 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.393 2.523 -7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.950 3.954 -8.434 1.00 0.00 H new ATOM 825 N ASP A 53 3.618 -0.093 -9.355 1.00 0.00 N ATOM 826 CA ASP A 53 2.937 -0.227 -10.631 1.00 0.00 C ATOM 827 C ASP A 53 2.088 -1.488 -10.625 1.00 0.00 C ATOM 828 O ASP A 53 1.020 -1.541 -11.234 1.00 0.00 O ATOM 829 CB ASP A 53 3.946 -0.277 -11.780 1.00 0.00 C ATOM 830 CG ASP A 53 3.307 0.009 -13.125 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.710 1.095 -13.279 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.402 -0.854 -14.023 1.00 0.00 O ATOM 0 H ASP A 53 4.629 -0.222 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 53 2.295 0.641 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.738 0.449 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.415 -1.261 -11.806 1.00 0.00 H new ATOM 837 N PHE A 54 2.593 -2.510 -9.943 1.00 0.00 N ATOM 838 CA PHE A 54 1.921 -3.792 -9.852 1.00 0.00 C ATOM 839 C PHE A 54 0.543 -3.648 -9.221 1.00 0.00 C ATOM 840 O PHE A 54 -0.456 -4.102 -9.779 1.00 0.00 O ATOM 841 CB PHE A 54 2.773 -4.729 -9.001 1.00 0.00 C ATOM 842 CG PHE A 54 3.256 -5.943 -9.734 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.446 -7.056 -9.862 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.523 -5.970 -10.290 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.889 -8.178 -10.532 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.976 -7.088 -10.962 1.00 0.00 C ATOM 847 CZ PHE A 54 4.157 -8.195 -11.084 1.00 0.00 C ATOM 0 H PHE A 54 3.479 -2.469 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 54 1.792 -4.195 -10.857 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.634 -4.178 -8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.192 -5.046 -8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.455 -7.047 -9.433 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.165 -5.107 -10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.247 -9.041 -10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.967 -7.098 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.507 -9.071 -11.609 1.00 0.00 H new ATOM 857 N LEU A 55 0.494 -2.997 -8.069 1.00 0.00 N ATOM 858 CA LEU A 55 -0.765 -2.772 -7.376 1.00 0.00 C ATOM 859 C LEU A 55 -1.567 -1.695 -8.083 1.00 0.00 C ATOM 860 O LEU A 55 -2.794 -1.737 -8.115 1.00 0.00 O ATOM 861 CB LEU A 55 -0.523 -2.371 -5.929 1.00 0.00 C ATOM 862 CG LEU A 55 0.712 -1.515 -5.706 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.328 -0.050 -5.657 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.420 -1.940 -4.433 1.00 0.00 C ATOM 0 H LEU A 55 1.312 -2.615 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.330 -3.704 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.395 -1.828 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.436 -3.274 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 55 1.401 -1.657 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.220 0.555 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.139 0.235 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.374 0.115 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.304 -1.319 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.746 -1.822 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.720 -2.985 -4.515 1.00 0.00 H new ATOM 876 N THR A 56 -0.853 -0.727 -8.650 1.00 0.00 N ATOM 877 CA THR A 56 -1.482 0.368 -9.364 1.00 0.00 C ATOM 878 C THR A 56 -2.287 -0.184 -10.530 1.00 0.00 C ATOM 879 O THR A 56 -3.418 0.235 -10.779 1.00 0.00 O ATOM 880 CB THR A 56 -0.418 1.362 -9.852 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.536 2.602 -9.179 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.477 1.645 -11.334 1.00 0.00 C ATOM 0 H THR A 56 0.166 -0.683 -8.626 1.00 0.00 H new ATOM 0 HA THR A 56 -2.157 0.900 -8.694 1.00 0.00 H new ATOM 0 HB THR A 56 0.533 0.877 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.153 3.218 -9.505 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.306 2.355 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.329 0.718 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.450 2.066 -11.585 1.00 0.00 H new ATOM 890 N LYS A 57 -1.700 -1.153 -11.221 1.00 0.00 N ATOM 891 CA LYS A 57 -2.355 -1.802 -12.339 1.00 0.00 C ATOM 892 C LYS A 57 -3.438 -2.724 -11.809 1.00 0.00 C ATOM 893 O LYS A 57 -4.504 -2.871 -12.406 1.00 0.00 O ATOM 894 CB LYS A 57 -1.344 -2.598 -13.163 1.00 0.00 C ATOM 895 CG LYS A 57 -0.529 -1.743 -14.119 1.00 0.00 C ATOM 896 CD LYS A 57 -1.331 -1.365 -15.353 1.00 0.00 C ATOM 897 CE LYS A 57 -1.771 0.089 -15.307 1.00 0.00 C ATOM 898 NZ LYS A 57 -2.886 0.363 -16.256 1.00 0.00 N ATOM 0 H LYS A 57 -0.764 -1.506 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.800 -1.045 -12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.666 -3.118 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.873 -3.361 -13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.199 -0.839 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.368 -2.285 -14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.730 -1.536 -16.246 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.207 -2.009 -15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.086 0.341 -14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.924 0.732 -15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.156 1.365 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.578 0.147 -17.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.703 -0.232 -16.012 1.00 0.00 H new ATOM 912 N HIS A 58 -3.149 -3.331 -10.661 1.00 0.00 N ATOM 913 CA HIS A 58 -4.086 -4.231 -10.011 1.00 0.00 C ATOM 914 C HIS A 58 -5.338 -3.473 -9.590 1.00 0.00 C ATOM 915 O HIS A 58 -6.441 -4.020 -9.602 1.00 0.00 O ATOM 916 CB HIS A 58 -3.438 -4.882 -8.790 1.00 0.00 C ATOM 917 CG HIS A 58 -3.879 -6.295 -8.565 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.288 -7.375 -9.184 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.862 -6.802 -7.783 1.00 0.00 C ATOM 920 CE1 HIS A 58 -3.888 -8.486 -8.795 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.845 -8.166 -7.945 1.00 0.00 N ATOM 0 H HIS A 58 -2.267 -3.212 -10.163 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.365 -5.011 -10.720 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.355 -4.862 -8.909 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.673 -4.291 -7.905 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.509 -7.325 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.533 -6.239 -7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.638 -9.486 -9.118 1.00 0.00 H new ATOM 983 N GLY A 63 -7.657 2.307 -6.571 1.00 0.00 N ATOM 984 CA GLY A 63 -6.565 2.804 -5.755 1.00 0.00 C ATOM 985 C GLY A 63 -6.269 1.904 -4.573 1.00 0.00 C ATOM 986 O GLY A 63 -7.173 1.289 -4.014 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.670 2.898 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.810 3.803 -5.395 1.00 0.00 H new ATOM 990 N SER A 64 -4.997 1.835 -4.191 1.00 0.00 N ATOM 991 CA SER A 64 -4.572 1.007 -3.066 1.00 0.00 C ATOM 992 C SER A 64 -3.962 1.865 -1.964 1.00 0.00 C ATOM 993 O SER A 64 -3.576 3.009 -2.203 1.00 0.00 O ATOM 994 CB SER A 64 -3.561 -0.043 -3.534 1.00 0.00 C ATOM 995 OG SER A 64 -2.382 -0.005 -2.749 1.00 0.00 O ATOM 0 H SER A 64 -4.240 2.345 -4.646 1.00 0.00 H new ATOM 0 HA SER A 64 -5.449 0.501 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.009 -1.035 -3.474 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.310 0.131 -4.580 1.00 0.00 H new ATOM 0 HG SER A 64 -1.754 -0.687 -3.068 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.867 1.310 -0.758 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.293 2.047 0.364 1.00 0.00 C ATOM 1003 C TRP A 65 -1.898 1.540 0.675 1.00 0.00 C ATOM 1004 O TRP A 65 -1.669 0.334 0.761 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.185 1.947 1.604 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.308 2.938 1.593 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.205 4.292 1.734 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.700 2.656 1.427 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.449 4.869 1.664 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.384 3.885 1.475 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.437 1.483 1.241 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.768 3.972 1.343 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.809 1.572 1.110 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.462 2.808 1.161 1.00 0.00 C ATOM 0 H TRP A 65 -4.176 0.364 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.228 3.097 0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.596 0.940 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.578 2.102 2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.280 4.831 1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.645 5.867 1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.942 0.524 1.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.275 4.925 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.388 0.672 0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.536 2.844 1.054 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.966 2.470 0.829 1.00 0.00 N ATOM 1026 CA ILE A 66 0.415 2.124 1.114 1.00 0.00 C ATOM 1027 C ILE A 66 0.807 2.496 2.534 1.00 0.00 C ATOM 1028 O ILE A 66 0.094 3.227 3.220 1.00 0.00 O ATOM 1029 CB ILE A 66 1.383 2.794 0.124 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.693 4.224 0.565 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.790 2.775 -1.278 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.364 5.058 -0.501 1.00 0.00 C ATOM 0 H ILE A 66 -1.144 3.472 0.761 1.00 0.00 H new ATOM 0 HA ILE A 66 0.490 1.042 1.003 1.00 0.00 H new ATOM 0 HB ILE A 66 2.319 2.235 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.765 4.711 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.335 4.192 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.482 3.251 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.619 1.744 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.156 3.316 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.552 6.060 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.309 4.595 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.715 5.122 -1.375 1.00 0.00 H new ATOM 1044 N GLY A 67 1.946 1.975 2.959 1.00 0.00 N ATOM 1045 CA GLY A 67 2.442 2.236 4.292 1.00 0.00 C ATOM 1046 C GLY A 67 3.095 3.593 4.425 1.00 0.00 C ATOM 1047 O GLY A 67 4.252 3.693 4.832 1.00 0.00 O ATOM 0 H GLY A 67 2.542 1.368 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.617 2.165 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.162 1.464 4.563 1.00 0.00 H new ATOM 1051 N LEU A 68 2.357 4.639 4.085 1.00 0.00 N ATOM 1052 CA LEU A 68 2.888 5.995 4.179 1.00 0.00 C ATOM 1053 C LEU A 68 2.026 6.893 5.064 1.00 0.00 C ATOM 1054 O LEU A 68 0.828 7.060 4.833 1.00 0.00 O ATOM 1055 CB LEU A 68 3.004 6.616 2.783 1.00 0.00 C ATOM 1056 CG LEU A 68 3.970 7.801 2.668 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.402 9.034 3.354 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.325 7.445 3.253 1.00 0.00 C ATOM 0 H LEU A 68 1.397 4.579 3.744 1.00 0.00 H new ATOM 0 HA LEU A 68 3.874 5.921 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.321 5.842 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.014 6.944 2.467 1.00 0.00 H new ATOM 0 HG LEU A 68 4.099 8.029 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.106 9.860 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.456 9.307 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.236 8.819 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.996 8.299 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.210 7.185 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.743 6.596 2.713 1.00 0.00 H new ATOM 1070 N ARG A 69 2.673 7.493 6.057 1.00 0.00 N ATOM 1071 CA ARG A 69 2.025 8.416 6.980 1.00 0.00 C ATOM 1072 C ARG A 69 2.969 9.577 7.297 1.00 0.00 C ATOM 1073 O ARG A 69 4.075 9.358 7.790 1.00 0.00 O ATOM 1074 CB ARG A 69 1.616 7.685 8.263 1.00 0.00 C ATOM 1075 CG ARG A 69 1.559 8.577 9.494 1.00 0.00 C ATOM 1076 CD ARG A 69 1.591 7.760 10.776 1.00 0.00 C ATOM 1077 NE ARG A 69 1.019 8.490 11.904 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.070 8.062 13.161 1.00 0.00 C ATOM 1079 NH1 ARG A 69 1.664 6.912 13.451 1.00 0.00 N ATOM 1080 NH2 ARG A 69 0.526 8.785 14.132 1.00 0.00 N ATOM 0 H ARG A 69 3.666 7.352 6.245 1.00 0.00 H new ATOM 0 HA ARG A 69 1.124 8.814 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.638 7.229 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.321 6.874 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.400 9.270 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.650 9.178 9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.040 6.831 10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.621 7.486 11.006 1.00 0.00 H new ATOM 0 HE ARG A 69 0.554 9.378 11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.084 6.353 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.701 6.587 14.417 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.068 9.670 13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.566 8.456 15.097 1.00 0.00 H new ATOM 1094 N ASN A 70 2.546 10.806 7.025 1.00 0.00 N ATOM 1095 CA ASN A 70 3.391 11.961 7.303 1.00 0.00 C ATOM 1096 C ASN A 70 3.642 12.097 8.800 1.00 0.00 C ATOM 1097 O ASN A 70 2.854 11.624 9.618 1.00 0.00 O ATOM 1098 CB ASN A 70 2.758 13.244 6.771 1.00 0.00 C ATOM 1099 CG ASN A 70 3.167 13.550 5.346 1.00 0.00 C ATOM 1100 OD1 ASN A 70 2.983 12.734 4.443 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.726 14.737 5.141 1.00 0.00 N ATOM 0 H ASN A 70 1.637 11.027 6.618 1.00 0.00 H new ATOM 0 HA ASN A 70 4.342 11.803 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.673 13.157 6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.042 14.078 7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.023 15.005 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.858 15.380 5.922 1.00 0.00 H new ATOM 1202 N PHE A 77 7.405 12.668 4.916 1.00 0.00 N ATOM 1203 CA PHE A 77 6.595 11.458 4.867 1.00 0.00 C ATOM 1204 C PHE A 77 7.351 10.289 5.485 1.00 0.00 C ATOM 1205 O PHE A 77 8.489 10.003 5.116 1.00 0.00 O ATOM 1206 CB PHE A 77 6.196 11.113 3.422 1.00 0.00 C ATOM 1207 CG PHE A 77 5.743 12.284 2.579 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.650 13.564 3.106 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.415 12.093 1.245 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.244 14.627 2.323 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.006 13.154 0.459 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.922 14.421 0.998 1.00 0.00 C ATOM 0 HA PHE A 77 5.686 11.643 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.047 10.641 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.394 10.375 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.899 13.732 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.480 11.104 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.179 15.618 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.752 12.991 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.605 15.250 0.383 1.00 0.00 H new ATOM 1222 N ILE A 78 6.708 9.622 6.434 1.00 0.00 N ATOM 1223 CA ILE A 78 7.306 8.489 7.118 1.00 0.00 C ATOM 1224 C ILE A 78 6.449 7.240 6.943 1.00 0.00 C ATOM 1225 O ILE A 78 5.225 7.314 6.962 1.00 0.00 O ATOM 1226 CB ILE A 78 7.497 8.796 8.617 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.957 9.198 8.878 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.071 7.612 9.481 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.682 8.340 9.897 1.00 0.00 C ATOM 0 H ILE A 78 5.765 9.850 6.748 1.00 0.00 H new ATOM 0 HA ILE A 78 8.284 8.305 6.673 1.00 0.00 H new ATOM 0 HB ILE A 78 6.855 9.632 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.504 9.158 7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.979 10.234 9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.217 7.858 10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.019 7.391 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.673 6.740 9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.704 8.700 10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.165 8.398 10.855 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.698 7.305 9.555 1.00 0.00 H new ATOM 1241 N TRP A 79 7.096 6.098 6.770 1.00 0.00 N ATOM 1242 CA TRP A 79 6.374 4.844 6.585 1.00 0.00 C ATOM 1243 C TRP A 79 5.782 4.365 7.905 1.00 0.00 C ATOM 1244 O TRP A 79 6.314 4.656 8.976 1.00 0.00 O ATOM 1245 CB TRP A 79 7.304 3.762 6.023 1.00 0.00 C ATOM 1246 CG TRP A 79 7.849 4.066 4.657 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.657 5.202 3.923 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.686 3.215 3.864 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.318 5.108 2.723 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.957 3.898 2.663 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.230 1.941 4.052 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.750 3.349 1.657 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.017 1.398 3.054 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.270 2.102 1.869 1.00 0.00 C ATOM 0 H TRP A 79 8.112 6.011 6.753 1.00 0.00 H new ATOM 0 HA TRP A 79 5.567 5.026 5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.138 3.622 6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.761 2.817 5.983 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.070 6.051 4.241 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.331 5.823 1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.039 1.391 4.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.947 3.889 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.444 0.415 3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.888 1.650 1.107 1.00 0.00 H new ATOM 1265 N VAL A 80 4.680 3.629 7.818 1.00 0.00 N ATOM 1266 CA VAL A 80 4.013 3.100 9.004 1.00 0.00 C ATOM 1267 C VAL A 80 4.961 2.201 9.793 1.00 0.00 C ATOM 1268 O VAL A 80 4.822 2.039 11.006 1.00 0.00 O ATOM 1269 CB VAL A 80 2.749 2.301 8.618 1.00 0.00 C ATOM 1270 CG1 VAL A 80 2.997 1.508 7.350 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.304 1.386 9.751 1.00 0.00 C ATOM 0 H VAL A 80 4.228 3.384 6.937 1.00 0.00 H new ATOM 0 HA VAL A 80 3.718 3.946 9.624 1.00 0.00 H new ATOM 0 HB VAL A 80 1.942 3.010 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.098 0.949 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.249 2.190 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.822 0.814 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.412 0.838 9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.102 0.681 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.079 1.984 10.634 1.00 0.00 H new ATOM 1281 N ASP A 81 5.932 1.626 9.090 1.00 0.00 N ATOM 1282 CA ASP A 81 6.913 0.745 9.713 1.00 0.00 C ATOM 1283 C ASP A 81 7.961 1.556 10.466 1.00 0.00 C ATOM 1284 O ASP A 81 8.829 0.999 11.138 1.00 0.00 O ATOM 1285 CB ASP A 81 7.589 -0.126 8.654 1.00 0.00 C ATOM 1286 CG ASP A 81 8.250 -1.353 9.250 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.571 -2.094 9.992 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.449 -1.573 8.978 1.00 0.00 O ATOM 0 H ASP A 81 6.060 1.755 8.086 1.00 0.00 H new ATOM 0 HA ASP A 81 6.394 0.102 10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.849 -0.437 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.336 0.465 8.125 1.00 0.00 H new ATOM 1293 N GLY A 82 7.866 2.875 10.351 1.00 0.00 N ATOM 1294 CA GLY A 82 8.801 3.751 11.024 1.00 0.00 C ATOM 1295 C GLY A 82 10.071 3.979 10.228 1.00 0.00 C ATOM 1296 O GLY A 82 11.167 3.985 10.788 1.00 0.00 O ATOM 0 H GLY A 82 7.153 3.354 9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.320 4.710 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.057 3.325 11.994 1.00 0.00 H new ATOM 1300 N SER A 83 9.928 4.170 8.919 1.00 0.00 N ATOM 1301 CA SER A 83 11.080 4.401 8.055 1.00 0.00 C ATOM 1302 C SER A 83 10.789 5.485 7.021 1.00 0.00 C ATOM 1303 O SER A 83 9.836 5.382 6.254 1.00 0.00 O ATOM 1304 CB SER A 83 11.481 3.104 7.350 1.00 0.00 C ATOM 1305 OG SER A 83 11.882 2.117 8.285 1.00 0.00 O ATOM 0 H SER A 83 9.030 4.169 8.436 1.00 0.00 H new ATOM 0 HA SER A 83 11.905 4.741 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.642 2.732 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.296 3.302 6.654 1.00 0.00 H new ATOM 0 HG SER A 83 12.132 1.298 7.809 1.00 0.00 H new ATOM 1311 N HIS A 84 11.619 6.524 7.005 1.00 0.00 N ATOM 1312 CA HIS A 84 11.454 7.625 6.066 1.00 0.00 C ATOM 1313 C HIS A 84 11.429 7.118 4.627 1.00 0.00 C ATOM 1314 O HIS A 84 12.060 6.113 4.299 1.00 0.00 O ATOM 1315 CB HIS A 84 12.583 8.641 6.241 1.00 0.00 C ATOM 1316 CG HIS A 84 13.929 8.013 6.438 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.362 7.525 7.653 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.941 7.793 5.565 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.581 7.034 7.520 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.954 7.183 6.263 1.00 0.00 N ATOM 0 H HIS A 84 12.415 6.625 7.635 1.00 0.00 H new ATOM 0 HA HIS A 84 10.500 8.109 6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.618 9.288 5.364 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.359 9.277 7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.950 8.049 4.516 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.172 6.587 8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.850 6.892 5.873 1.00 0.00 H new ATOM 1329 N VAL A 85 10.692 7.821 3.775 1.00 0.00 N ATOM 1330 CA VAL A 85 10.572 7.452 2.368 1.00 0.00 C ATOM 1331 C VAL A 85 11.931 7.473 1.671 1.00 0.00 C ATOM 1332 O VAL A 85 12.872 8.111 2.143 1.00 0.00 O ATOM 1333 CB VAL A 85 9.609 8.398 1.624 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.260 7.841 0.253 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.351 8.626 2.444 1.00 0.00 C ATOM 0 H VAL A 85 10.165 8.655 4.035 1.00 0.00 H new ATOM 0 HA VAL A 85 10.172 6.438 2.339 1.00 0.00 H new ATOM 0 HB VAL A 85 10.109 9.356 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.579 8.524 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.170 7.730 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.780 6.869 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.682 9.296 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.850 7.673 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.617 9.073 3.402 1.00 0.00 H new ATOM 1345 N ASP A 86 12.024 6.769 0.545 1.00 0.00 N ATOM 1346 CA ASP A 86 13.267 6.703 -0.216 1.00 0.00 C ATOM 1347 C ASP A 86 13.055 7.150 -1.661 1.00 0.00 C ATOM 1348 O ASP A 86 13.619 8.153 -2.098 1.00 0.00 O ATOM 1349 CB ASP A 86 13.830 5.280 -0.189 1.00 0.00 C ATOM 1350 CG ASP A 86 14.727 5.036 1.008 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.253 5.209 2.150 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.905 4.673 0.803 1.00 0.00 O ATOM 0 H ASP A 86 11.253 6.237 0.141 1.00 0.00 H new ATOM 0 HA ASP A 86 13.981 7.382 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.006 4.566 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.393 5.097 -1.104 1.00 0.00 H new ATOM 1357 N TYR A 87 12.244 6.397 -2.400 1.00 0.00 N ATOM 1358 CA TYR A 87 11.967 6.715 -3.798 1.00 0.00 C ATOM 1359 C TYR A 87 10.738 7.607 -3.932 1.00 0.00 C ATOM 1360 O TYR A 87 10.746 8.579 -4.689 1.00 0.00 O ATOM 1361 CB TYR A 87 11.769 5.433 -4.609 1.00 0.00 C ATOM 1362 CG TYR A 87 13.057 4.700 -4.908 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.605 3.816 -3.988 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.725 4.893 -6.112 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.783 3.143 -4.258 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.901 4.224 -6.389 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.427 3.352 -5.460 1.00 0.00 C ATOM 1368 OH TYR A 87 16.599 2.684 -5.733 1.00 0.00 O ATOM 0 H TYR A 87 11.768 5.564 -2.055 1.00 0.00 H new ATOM 0 HA TYR A 87 12.827 7.258 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.100 4.767 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.275 5.680 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.103 3.651 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.318 5.577 -6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.196 2.458 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.407 4.383 -7.330 1.00 0.00 H new ATOM 0 HH TYR A 87 16.924 2.942 -6.621 1.00 0.00 H new ATOM 1378 N SER A 88 9.686 7.268 -3.192 1.00 0.00 N ATOM 1379 CA SER A 88 8.436 8.030 -3.219 1.00 0.00 C ATOM 1380 C SER A 88 7.838 8.061 -4.624 1.00 0.00 C ATOM 1381 O SER A 88 8.520 7.770 -5.606 1.00 0.00 O ATOM 1382 CB SER A 88 8.659 9.457 -2.716 1.00 0.00 C ATOM 1383 OG SER A 88 10.018 9.684 -2.382 1.00 0.00 O ATOM 0 H SER A 88 9.673 6.466 -2.562 1.00 0.00 H new ATOM 0 HA SER A 88 7.732 7.528 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.348 10.167 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.033 9.638 -1.842 1.00 0.00 H new ATOM 0 HG SER A 88 10.128 10.605 -2.066 1.00 0.00 H new ATOM 1389 N ASN A 89 6.553 8.405 -4.717 1.00 0.00 N ATOM 1390 CA ASN A 89 5.877 8.455 -6.008 1.00 0.00 C ATOM 1391 C ASN A 89 4.921 9.644 -6.124 1.00 0.00 C ATOM 1392 O ASN A 89 4.558 10.024 -7.236 1.00 0.00 O ATOM 1393 CB ASN A 89 5.105 7.159 -6.248 1.00 0.00 C ATOM 1394 CG ASN A 89 5.996 6.013 -6.682 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.132 6.217 -7.108 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.476 4.795 -6.581 1.00 0.00 N ATOM 0 H ASN A 89 5.966 8.651 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 89 6.651 8.578 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.582 6.879 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.345 7.331 -7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.024 3.982 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.529 4.673 -6.222 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.484 11.181 4.466 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.496 9.824 3.936 1.00 0.00 C ATOM 1600 C CYS A 104 -1.335 9.840 2.418 1.00 0.00 C ATOM 1601 O CYS A 104 -1.830 10.739 1.736 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.797 9.108 4.318 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.624 9.799 5.790 1.00 0.00 S ATOM 0 HA CYS A 104 -0.657 9.282 4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.485 9.153 3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.580 8.055 4.497 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.118 10.964 6.065 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.637 8.845 1.892 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.414 8.752 0.461 1.00 0.00 C ATOM 1610 C VAL A 105 -1.291 7.674 -0.162 1.00 0.00 C ATOM 1611 O VAL A 105 -1.436 6.580 0.381 1.00 0.00 O ATOM 1612 CB VAL A 105 1.065 8.465 0.138 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.232 8.042 -1.312 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.914 9.688 0.431 1.00 0.00 C ATOM 0 H VAL A 105 -0.216 8.092 2.436 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.682 9.718 0.033 1.00 0.00 H new ATOM 0 HB VAL A 105 1.399 7.644 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.285 7.845 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.652 7.138 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.879 8.839 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.957 9.471 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.572 10.523 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.824 9.949 1.485 1.00 0.00 H new ATOM 1624 N MET A 106 -1.869 8.002 -1.308 1.00 0.00 N ATOM 1625 CA MET A 106 -2.732 7.083 -2.028 1.00 0.00 C ATOM 1626 C MET A 106 -2.143 6.778 -3.397 1.00 0.00 C ATOM 1627 O MET A 106 -1.211 7.443 -3.841 1.00 0.00 O ATOM 1628 CB MET A 106 -4.137 7.673 -2.176 1.00 0.00 C ATOM 1629 CG MET A 106 -4.224 8.805 -3.189 1.00 0.00 C ATOM 1630 SD MET A 106 -5.657 8.657 -4.272 1.00 0.00 S ATOM 1631 CE MET A 106 -5.244 9.844 -5.548 1.00 0.00 C ATOM 0 H MET A 106 -1.753 8.908 -1.761 1.00 0.00 H new ATOM 0 HA MET A 106 -2.805 6.155 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.825 6.880 -2.471 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.471 8.040 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.269 9.757 -2.661 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.317 8.818 -3.793 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.140 10.093 -6.117 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.844 10.748 -5.088 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.497 9.415 -6.216 1.00 0.00 H new ATOM 1641 N MET A 107 -2.684 5.769 -4.057 1.00 0.00 N ATOM 1642 CA MET A 107 -2.203 5.378 -5.374 1.00 0.00 C ATOM 1643 C MET A 107 -3.350 5.377 -6.380 1.00 0.00 C ATOM 1644 O MET A 107 -4.413 4.813 -6.123 1.00 0.00 O ATOM 1645 CB MET A 107 -1.544 3.997 -5.300 1.00 0.00 C ATOM 1646 CG MET A 107 -1.623 3.206 -6.590 1.00 0.00 C ATOM 1647 SD MET A 107 -2.955 1.991 -6.583 1.00 0.00 S ATOM 1648 CE MET A 107 -3.868 2.482 -8.042 1.00 0.00 C ATOM 0 H MET A 107 -3.457 5.204 -3.704 1.00 0.00 H new ATOM 0 HA MET A 107 -1.459 6.101 -5.709 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.496 4.120 -5.025 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.017 3.422 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.768 3.893 -7.424 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.674 2.697 -6.758 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.476 1.646 -8.389 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.515 3.325 -7.800 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.170 2.774 -8.827 1.00 0.00 H new ATOM 1707 N ARG A 112 1.044 5.861 -10.329 1.00 0.00 N ATOM 1708 CA ARG A 112 1.861 6.371 -9.238 1.00 0.00 C ATOM 1709 C ARG A 112 1.007 6.713 -8.020 1.00 0.00 C ATOM 1710 O ARG A 112 -0.151 6.305 -7.921 1.00 0.00 O ATOM 1711 CB ARG A 112 2.630 7.612 -9.692 1.00 0.00 C ATOM 1712 CG ARG A 112 1.796 8.585 -10.511 1.00 0.00 C ATOM 1713 CD ARG A 112 1.264 9.723 -9.653 1.00 0.00 C ATOM 1714 NE ARG A 112 0.001 10.249 -10.164 1.00 0.00 N ATOM 1715 CZ ARG A 112 -1.187 9.950 -9.647 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -1.274 9.131 -8.608 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -2.289 10.472 -10.168 1.00 0.00 N ATOM 0 HA ARG A 112 2.566 5.589 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.017 8.129 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.491 7.299 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.401 8.991 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.962 8.054 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.123 9.371 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.002 10.524 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 112 0.032 10.882 -10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.428 8.729 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.186 8.903 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.226 11.104 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.200 10.242 -9.770 1.00 0.00 H new ATOM 1731 N TRP A 113 1.595 7.469 -7.102 1.00 0.00 N ATOM 1732 CA TRP A 113 0.918 7.887 -5.884 1.00 0.00 C ATOM 1733 C TRP A 113 0.581 9.359 -5.918 1.00 0.00 C ATOM 1734 O TRP A 113 1.191 10.140 -6.643 1.00 0.00 O ATOM 1735 CB TRP A 113 1.788 7.722 -4.648 1.00 0.00 C ATOM 1736 CG TRP A 113 2.448 6.404 -4.452 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.199 5.219 -5.078 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.491 6.163 -3.519 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.040 4.248 -4.582 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.843 4.810 -3.618 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.161 6.982 -2.607 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.845 4.247 -2.831 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.156 6.425 -1.826 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.490 5.067 -1.942 1.00 0.00 C ATOM 0 H TRP A 113 2.553 7.809 -7.182 1.00 0.00 H new ATOM 0 HA TRP A 113 0.030 7.256 -5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.564 8.487 -4.676 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.172 7.925 -3.772 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.455 5.065 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.063 3.273 -4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.907 8.028 -2.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.104 3.202 -2.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.684 7.044 -1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.272 4.659 -1.318 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.337 9.735 -5.051 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.699 11.120 -4.886 1.00 0.00 C ATOM 1757 C ASN A 114 -0.710 11.430 -3.395 1.00 0.00 C ATOM 1758 O ASN A 114 -1.452 10.817 -2.627 1.00 0.00 O ATOM 1759 CB ASN A 114 -2.072 11.401 -5.502 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.975 11.862 -6.944 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -0.888 12.139 -7.450 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -3.119 11.947 -7.615 1.00 0.00 N ATOM 0 H ASN A 114 -0.848 9.091 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 114 0.024 11.756 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.681 10.499 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.582 12.163 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -3.118 12.252 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -3.998 11.708 -7.157 1.00 0.00 H new ATOM 1769 N ASP A 115 0.128 12.372 -2.993 1.00 0.00 N ATOM 1770 CA ASP A 115 0.237 12.759 -1.597 1.00 0.00 C ATOM 1771 C ASP A 115 -0.843 13.766 -1.214 1.00 0.00 C ATOM 1772 O ASP A 115 -0.970 14.823 -1.831 1.00 0.00 O ATOM 1773 CB ASP A 115 1.622 13.346 -1.335 1.00 0.00 C ATOM 1774 CG ASP A 115 1.864 13.610 0.138 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.002 12.634 0.903 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.913 14.797 0.527 1.00 0.00 O ATOM 0 H ASP A 115 0.747 12.886 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 115 0.095 11.870 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.382 12.660 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.731 14.277 -1.892 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.619 13.427 -0.187 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.687 14.292 0.286 1.00 0.00 C ATOM 1783 C ALA A 116 -3.020 13.988 1.740 1.00 0.00 C ATOM 1784 O ALA A 116 -2.672 12.926 2.250 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.923 14.138 -0.588 1.00 0.00 C ATOM 0 H ALA A 116 -1.524 12.555 0.333 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.345 15.325 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.713 14.793 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.678 14.407 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.265 13.103 -0.556 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.247 5.805 -1.663 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.825 4.694 -2.508 1.00 0.00 C ATOM 1881 C LEU A 122 -10.808 3.534 -2.397 1.00 0.00 C ATOM 1882 O LEU A 122 -11.935 3.712 -1.935 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.419 4.233 -2.121 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.310 5.241 -2.418 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.075 6.145 -1.220 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -6.026 4.526 -2.802 1.00 0.00 C ATOM 0 HA LEU A 122 -9.808 5.037 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.407 4.005 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.198 3.305 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.626 5.858 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.282 6.856 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.992 6.687 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.783 5.542 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.248 5.261 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.708 3.883 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.199 3.920 -3.691 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.382 2.350 -2.823 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.253 1.193 -2.758 1.00 0.00 C ATOM 1900 C GLY A 123 -10.503 -0.123 -2.819 1.00 0.00 C ATOM 1901 O GLY A 123 -11.043 -1.123 -3.292 1.00 0.00 O ATOM 0 H GLY A 123 -9.455 2.172 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.830 1.232 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.966 1.236 -3.581 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.263 -0.134 -2.336 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.467 -1.358 -2.345 1.00 0.00 C ATOM 1907 C ALA A 124 -7.554 -1.448 -1.134 1.00 0.00 C ATOM 1908 O ALA A 124 -6.823 -0.511 -0.817 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.659 -1.470 -3.626 1.00 0.00 C ATOM 0 H ALA A 124 -8.793 0.679 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.164 -2.195 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.075 -2.390 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.334 -1.485 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.988 -0.615 -3.709 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.599 -2.597 -0.470 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.776 -2.839 0.706 1.00 0.00 C ATOM 1917 C TRP A 125 -5.532 -3.633 0.328 1.00 0.00 C ATOM 1918 O TRP A 125 -5.608 -4.838 0.086 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.573 -3.604 1.770 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.731 -2.834 2.336 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.255 -1.664 1.866 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.509 -3.187 3.486 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.309 -1.267 2.652 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.485 -2.186 3.654 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.477 -4.252 4.391 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.418 -2.220 4.687 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.403 -4.284 5.417 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.363 -3.274 5.557 1.00 0.00 C ATOM 0 H TRP A 125 -8.201 -3.379 -0.729 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.473 -1.875 1.115 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.945 -4.531 1.334 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.902 -3.881 2.583 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.893 -1.128 1.001 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.869 -0.426 2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.741 -5.036 4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.159 -1.442 4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.386 -5.102 6.122 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.074 -3.328 6.368 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.390 -2.958 0.279 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.143 -3.612 -0.070 1.00 0.00 C ATOM 1941 C VAL A 126 -2.204 -3.643 1.136 1.00 0.00 C ATOM 1942 O VAL A 126 -1.985 -2.631 1.801 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.464 -2.911 -1.265 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.989 -3.210 -1.301 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.098 -3.341 -2.571 1.00 0.00 C ATOM 0 H VAL A 126 -4.305 -1.961 0.477 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.368 -4.637 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.603 -1.837 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.536 -2.703 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.524 -2.858 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.838 -4.285 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.603 -2.834 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.992 -4.419 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.156 -3.079 -2.565 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.679 -4.828 1.417 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.783 -5.050 2.550 1.00 0.00 C ATOM 1957 C CYS A 127 0.381 -5.936 2.137 1.00 0.00 C ATOM 1958 O CYS A 127 0.347 -6.550 1.079 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.536 -5.696 3.714 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.232 -5.075 3.943 1.00 0.00 S ATOM 0 H CYS A 127 -1.861 -5.666 0.866 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.398 -4.083 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.574 -6.773 3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.973 -5.530 4.633 1.00 0.00 H new ATOM 1965 N ASP A 128 1.415 -5.995 2.964 1.00 0.00 N ATOM 1966 CA ASP A 128 2.567 -6.817 2.657 1.00 0.00 C ATOM 1967 C ASP A 128 2.872 -7.763 3.810 1.00 0.00 C ATOM 1968 O ASP A 128 2.723 -7.412 4.978 1.00 0.00 O ATOM 1969 CB ASP A 128 3.783 -5.940 2.370 1.00 0.00 C ATOM 1970 CG ASP A 128 4.330 -5.279 3.619 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.789 -4.226 4.018 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.297 -5.815 4.200 1.00 0.00 O ATOM 0 H ASP A 128 1.476 -5.486 3.846 1.00 0.00 H new ATOM 0 HA ASP A 128 2.338 -7.408 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.564 -6.547 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.510 -5.172 1.646 1.00 0.00 H new ATOM 1977 N ARG A 129 3.304 -8.964 3.463 1.00 0.00 N ATOM 1978 CA ARG A 129 3.641 -9.981 4.445 1.00 0.00 C ATOM 1979 C ARG A 129 4.593 -10.995 3.833 1.00 0.00 C ATOM 1980 O ARG A 129 4.651 -11.136 2.615 1.00 0.00 O ATOM 1981 CB ARG A 129 2.377 -10.681 4.952 1.00 0.00 C ATOM 1982 CG ARG A 129 1.680 -11.523 3.895 1.00 0.00 C ATOM 1983 CD ARG A 129 1.104 -12.797 4.491 1.00 0.00 C ATOM 1984 NE ARG A 129 2.087 -13.521 5.294 1.00 0.00 N ATOM 1985 CZ ARG A 129 1.776 -14.515 6.121 1.00 0.00 C ATOM 1986 NH1 ARG A 129 0.515 -14.901 6.255 1.00 0.00 N ATOM 1987 NH2 ARG A 129 2.728 -15.122 6.815 1.00 0.00 N ATOM 0 H ARG A 129 3.431 -9.261 2.495 1.00 0.00 H new ATOM 0 HA ARG A 129 4.129 -9.500 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.639 -11.318 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.680 -9.930 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.881 -10.942 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.387 -11.776 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.242 -12.550 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.746 -13.442 3.689 1.00 0.00 H new ATOM 0 HE ARG A 129 3.067 -13.249 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.220 -14.435 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.280 -15.664 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.699 -14.827 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.489 -15.884 7.449 1.00 0.00 H new ATOM 2001 N LEU A 130 5.333 -11.702 4.671 1.00 0.00 N ATOM 2002 CA LEU A 130 6.272 -12.700 4.181 1.00 0.00 C ATOM 2003 C LEU A 130 5.533 -13.901 3.599 1.00 0.00 C ATOM 2004 O LEU A 130 4.554 -14.380 4.173 1.00 0.00 O ATOM 2005 CB LEU A 130 7.220 -13.133 5.300 1.00 0.00 C ATOM 2006 CG LEU A 130 8.456 -12.240 5.493 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.702 -12.940 4.975 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.275 -10.892 4.800 1.00 0.00 C ATOM 0 H LEU A 130 5.303 -11.606 5.686 1.00 0.00 H new ATOM 0 HA LEU A 130 6.864 -12.253 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.662 -13.161 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.555 -14.150 5.097 1.00 0.00 H new ATOM 0 HG LEU A 130 8.576 -12.056 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.568 -12.294 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.849 -13.872 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.583 -13.156 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.165 -10.282 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.123 -11.049 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.408 -10.381 5.219 1.00 0.00 H new ATOM 2020 N ALA A 131 6.003 -14.370 2.446 1.00 0.00 N ATOM 2021 CA ALA A 131 5.389 -15.505 1.763 1.00 0.00 C ATOM 2022 C ALA A 131 5.406 -16.763 2.624 1.00 0.00 C ATOM 2023 O ALA A 131 5.670 -16.708 3.826 1.00 0.00 O ATOM 2024 CB ALA A 131 6.092 -15.762 0.440 1.00 0.00 C ATOM 0 H ALA A 131 6.812 -13.979 1.963 1.00 0.00 H new ATOM 0 HA ALA A 131 4.346 -15.252 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.626 -16.611 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.011 -14.878 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.144 -15.982 0.624 1.00 0.00 H new