USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 886 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 26 THR OG1 : rot -90:sc= 0.509 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 9 GLN : amide:sc= -2.02! C(o=-2!,f=-4.2!) USER MOD Single : A 11 SER OG : rot 41:sc= -3.64! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc=-0.000702 (180deg=-0.000702) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.0037) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.61 K(o=-1.6,f=-7.4!) USER MOD Single : A 45 TYR OH : rot -82:sc= 0.451 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 126:sc= 0.728 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 1.15 (180deg=-1.27) USER MOD Single : A 74 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.953 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl -169:sc= -10.2! (180deg=-10.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-0.00166 X(o=-0.0017,f=-0.44) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 129 TYR OH : rot 180:sc= -0.0176 USER MOD Single : A 130 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.137) USER MOD Single : A 132 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 0.809 -12.349 -2.241 1.00 0.00 N ATOM 67 CA GLY A 8 0.040 -12.684 -1.055 1.00 0.00 C ATOM 68 C GLY A 8 -1.274 -11.900 -1.014 1.00 0.00 C ATOM 69 O GLY A 8 -2.000 -11.846 -2.006 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.170 -13.754 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.627 -12.465 -0.163 1.00 0.00 H new ATOM 73 N GLN A 9 -1.540 -11.313 0.143 1.00 0.00 N ATOM 74 CA GLN A 9 -2.754 -10.535 0.326 1.00 0.00 C ATOM 75 C GLN A 9 -2.507 -9.391 1.312 1.00 0.00 C ATOM 76 O GLN A 9 -2.084 -9.623 2.444 1.00 0.00 O ATOM 77 CB GLN A 9 -3.909 -11.422 0.793 1.00 0.00 C ATOM 78 CG GLN A 9 -4.351 -12.376 -0.318 1.00 0.00 C ATOM 79 CD GLN A 9 -5.664 -13.073 0.048 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.652 -12.448 0.395 1.00 0.00 O ATOM 81 NE2 GLN A 9 -5.618 -14.399 -0.049 1.00 0.00 N ATOM 0 H GLN A 9 -0.936 -11.360 0.964 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.036 -10.106 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.602 -11.995 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.750 -10.799 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.476 -11.823 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.575 -13.122 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.757 -14.859 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.443 -14.956 0.174 1.00 0.00 H new ATOM 90 N LEU A 10 -2.783 -8.182 0.847 1.00 0.00 N ATOM 91 CA LEU A 10 -2.597 -7.001 1.674 1.00 0.00 C ATOM 92 C LEU A 10 -3.964 -6.414 2.033 1.00 0.00 C ATOM 93 O LEU A 10 -4.845 -6.319 1.180 1.00 0.00 O ATOM 94 CB LEU A 10 -1.662 -6.006 0.984 1.00 0.00 C ATOM 95 CG LEU A 10 -0.735 -5.209 1.904 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.135 -4.008 1.170 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.458 -4.794 3.187 1.00 0.00 C ATOM 0 H LEU A 10 -3.134 -7.994 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.108 -7.265 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.049 -6.551 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.269 -5.302 0.414 1.00 0.00 H new ATOM 0 HG LEU A 10 0.093 -5.855 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.520 -3.458 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.439 -4.356 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.936 -3.353 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.776 -4.229 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.318 -4.173 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.796 -5.684 3.718 1.00 0.00 H new ATOM 109 N SER A 11 -4.097 -6.037 3.296 1.00 0.00 N ATOM 110 CA SER A 11 -5.341 -5.462 3.778 1.00 0.00 C ATOM 111 C SER A 11 -5.224 -3.938 3.840 1.00 0.00 C ATOM 112 O SER A 11 -4.361 -3.406 4.536 1.00 0.00 O ATOM 113 CB SER A 11 -5.711 -6.022 5.153 1.00 0.00 C ATOM 114 OG SER A 11 -6.149 -7.376 5.077 1.00 0.00 O ATOM 0 H SER A 11 -3.364 -6.119 4.000 1.00 0.00 H new ATOM 0 HA SER A 11 -6.134 -5.731 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.848 -5.957 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.498 -5.410 5.594 1.00 0.00 H new ATOM 0 HG SER A 11 -5.587 -7.867 4.442 1.00 0.00 H new ATOM 120 N ILE A 12 -6.105 -3.278 3.102 1.00 0.00 N ATOM 121 CA ILE A 12 -6.111 -1.825 3.065 1.00 0.00 C ATOM 122 C ILE A 12 -7.539 -1.320 3.278 1.00 0.00 C ATOM 123 O ILE A 12 -8.454 -1.712 2.556 1.00 0.00 O ATOM 124 CB ILE A 12 -5.466 -1.320 1.773 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.961 -1.596 1.766 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.779 0.161 1.546 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.510 -2.143 0.411 1.00 0.00 C ATOM 0 H ILE A 12 -6.819 -3.722 2.525 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.505 -1.420 3.876 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.898 -1.872 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.418 -0.678 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.715 -2.311 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.309 0.495 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.858 0.298 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.394 0.746 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.436 -2.330 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.037 -3.074 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.735 -1.415 -0.368 1.00 0.00 H new ATOM 139 N LYS A 13 -7.685 -0.456 4.272 1.00 0.00 N ATOM 140 CA LYS A 13 -8.986 0.107 4.590 1.00 0.00 C ATOM 141 C LYS A 13 -9.078 1.522 4.016 1.00 0.00 C ATOM 142 O LYS A 13 -8.354 2.418 4.446 1.00 0.00 O ATOM 143 CB LYS A 13 -9.248 0.036 6.096 1.00 0.00 C ATOM 144 CG LYS A 13 -10.615 -0.587 6.386 1.00 0.00 C ATOM 145 CD LYS A 13 -10.977 -0.450 7.866 1.00 0.00 C ATOM 146 CE LYS A 13 -9.850 -0.974 8.757 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.191 -0.793 10.185 1.00 0.00 N ATOM 0 H LYS A 13 -6.923 -0.132 4.868 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.779 -0.479 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.467 -0.552 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.202 1.037 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.377 -0.102 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.605 -1.640 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.174 0.596 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.894 -1.001 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.676 -2.030 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.923 -0.447 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.415 -1.154 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.335 0.218 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.064 -1.315 10.402 1.00 0.00 H new ATOM 161 N LEU A 14 -9.975 1.679 3.053 1.00 0.00 N ATOM 162 CA LEU A 14 -10.171 2.970 2.416 1.00 0.00 C ATOM 163 C LEU A 14 -11.504 3.564 2.877 1.00 0.00 C ATOM 164 O LEU A 14 -12.412 2.832 3.267 1.00 0.00 O ATOM 165 CB LEU A 14 -10.048 2.841 0.896 1.00 0.00 C ATOM 166 CG LEU A 14 -8.786 2.144 0.382 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.961 1.695 -1.070 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.556 3.035 0.563 1.00 0.00 C ATOM 0 H LEU A 14 -10.574 0.933 2.699 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.389 3.667 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.916 2.296 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.090 3.840 0.462 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.624 1.246 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.050 1.203 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.797 0.999 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.161 2.563 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.673 2.516 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.694 3.963 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.424 3.262 1.621 1.00 0.00 H new ATOM 180 N TRP A 15 -11.578 4.885 2.816 1.00 0.00 N ATOM 181 CA TRP A 15 -12.785 5.586 3.222 1.00 0.00 C ATOM 182 C TRP A 15 -12.776 6.965 2.559 1.00 0.00 C ATOM 183 O TRP A 15 -11.726 7.452 2.145 1.00 0.00 O ATOM 184 CB TRP A 15 -12.891 5.656 4.747 1.00 0.00 C ATOM 185 CG TRP A 15 -13.903 6.686 5.253 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.665 7.929 5.693 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.332 6.509 5.355 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.831 8.564 6.069 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.877 7.673 5.857 1.00 0.00 C ATOM 190 CE3 TRP A 15 -16.137 5.403 5.033 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.248 7.843 6.082 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.505 5.588 5.263 1.00 0.00 C ATOM 193 CH2 TRP A 15 -18.070 6.753 5.768 1.00 0.00 C ATOM 0 H TRP A 15 -10.822 5.489 2.492 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.674 5.047 2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.168 4.673 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.910 5.893 5.159 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.684 8.377 5.747 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.911 9.513 6.435 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.732 4.483 4.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.650 8.764 6.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.168 4.768 5.032 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.138 6.818 5.918 1.00 0.00 H new ATOM 204 N PHE A 16 -13.960 7.555 2.479 1.00 0.00 N ATOM 205 CA PHE A 16 -14.102 8.867 1.873 1.00 0.00 C ATOM 206 C PHE A 16 -14.796 9.840 2.829 1.00 0.00 C ATOM 207 O PHE A 16 -15.928 9.604 3.247 1.00 0.00 O ATOM 208 CB PHE A 16 -14.970 8.693 0.625 1.00 0.00 C ATOM 209 CG PHE A 16 -15.100 9.959 -0.225 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.985 10.588 -0.683 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.331 10.454 -0.522 1.00 0.00 C ATOM 212 CE1 PHE A 16 -14.106 11.763 -1.471 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.452 11.629 -1.310 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.337 12.259 -1.768 1.00 0.00 C ATOM 0 H PHE A 16 -14.829 7.148 2.824 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.120 9.273 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.549 7.897 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.965 8.369 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -13.007 10.194 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.216 9.954 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.220 12.263 -1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.430 12.023 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.429 13.153 -2.367 1.00 0.00 H new ATOM 224 N ASP A 17 -14.087 10.914 3.147 1.00 0.00 N ATOM 225 CA ASP A 17 -14.620 11.923 4.046 1.00 0.00 C ATOM 226 C ASP A 17 -15.142 13.105 3.226 1.00 0.00 C ATOM 227 O ASP A 17 -14.443 14.103 3.055 1.00 0.00 O ATOM 228 CB ASP A 17 -13.537 12.445 4.992 1.00 0.00 C ATOM 229 CG ASP A 17 -13.610 11.901 6.420 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.711 11.446 6.799 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.563 11.953 7.101 1.00 0.00 O ATOM 0 H ASP A 17 -13.148 11.107 2.798 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.419 11.467 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.561 12.198 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.602 13.532 5.030 1.00 0.00 H new ATOM 236 N LYS A 18 -16.366 12.954 2.742 1.00 0.00 N ATOM 237 CA LYS A 18 -16.989 13.997 1.945 1.00 0.00 C ATOM 238 C LYS A 18 -17.085 15.279 2.775 1.00 0.00 C ATOM 239 O LYS A 18 -17.256 16.366 2.226 1.00 0.00 O ATOM 240 CB LYS A 18 -18.334 13.519 1.395 1.00 0.00 C ATOM 241 CG LYS A 18 -19.340 13.292 2.525 1.00 0.00 C ATOM 242 CD LYS A 18 -19.715 11.813 2.637 1.00 0.00 C ATOM 243 CE LYS A 18 -20.668 11.576 3.811 1.00 0.00 C ATOM 244 NZ LYS A 18 -21.805 10.727 3.391 1.00 0.00 N ATOM 0 H LYS A 18 -16.943 12.125 2.886 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.377 14.227 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.728 14.257 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.194 12.593 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.916 13.636 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.236 13.885 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.184 11.482 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.814 11.215 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.133 11.098 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.038 12.530 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.442 10.576 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.325 11.198 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.448 9.810 3.055 1.00 0.00 H new ATOM 258 N VAL A 19 -16.971 15.109 4.084 1.00 0.00 N ATOM 259 CA VAL A 19 -17.042 16.238 4.995 1.00 0.00 C ATOM 260 C VAL A 19 -16.041 17.308 4.553 1.00 0.00 C ATOM 261 O VAL A 19 -16.433 18.405 4.160 1.00 0.00 O ATOM 262 CB VAL A 19 -16.818 15.766 6.433 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.828 16.947 7.405 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.856 14.716 6.834 1.00 0.00 C ATOM 0 H VAL A 19 -16.830 14.205 4.535 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.034 16.689 4.967 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.834 15.299 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.667 16.584 8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.034 17.644 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.791 17.455 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.674 14.398 7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.855 15.145 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.780 13.856 6.169 1.00 0.00 H new ATOM 274 N GLY A 20 -14.768 16.950 4.634 1.00 0.00 N ATOM 275 CA GLY A 20 -13.708 17.865 4.248 1.00 0.00 C ATOM 276 C GLY A 20 -13.109 17.472 2.895 1.00 0.00 C ATOM 277 O GLY A 20 -12.130 18.068 2.449 1.00 0.00 O ATOM 0 H GLY A 20 -14.447 16.039 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.101 18.880 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.928 17.865 5.009 1.00 0.00 H new ATOM 281 N HIS A 21 -13.723 16.471 2.281 1.00 0.00 N ATOM 282 CA HIS A 21 -13.263 15.992 0.989 1.00 0.00 C ATOM 283 C HIS A 21 -11.850 15.421 1.127 1.00 0.00 C ATOM 284 O HIS A 21 -10.921 15.891 0.471 1.00 0.00 O ATOM 285 CB HIS A 21 -13.357 17.096 -0.065 1.00 0.00 C ATOM 286 CG HIS A 21 -14.771 17.503 -0.404 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.530 16.851 -1.360 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.555 18.501 0.095 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.716 17.438 -1.425 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.729 18.462 -0.523 1.00 0.00 N ATOM 0 H HIS A 21 -14.535 15.979 2.654 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.911 15.186 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.813 17.971 0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.859 16.759 -0.974 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.269 19.204 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.529 17.156 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.512 19.093 -0.352 1.00 0.00 H new ATOM 298 N GLN A 22 -11.732 14.417 1.983 1.00 0.00 N ATOM 299 CA GLN A 22 -10.448 13.778 2.215 1.00 0.00 C ATOM 300 C GLN A 22 -10.569 12.263 2.038 1.00 0.00 C ATOM 301 O GLN A 22 -11.556 11.662 2.461 1.00 0.00 O ATOM 302 CB GLN A 22 -9.905 14.126 3.602 1.00 0.00 C ATOM 303 CG GLN A 22 -10.577 15.385 4.154 1.00 0.00 C ATOM 304 CD GLN A 22 -10.171 15.630 5.609 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.668 16.681 5.971 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.416 14.604 6.419 1.00 0.00 N ATOM 0 H GLN A 22 -12.505 14.030 2.525 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.739 14.155 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.074 13.291 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.827 14.279 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.300 16.246 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.660 15.283 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.840 13.753 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.180 14.668 7.409 1.00 0.00 H new ATOM 315 N LEU A 23 -9.553 11.690 1.411 1.00 0.00 N ATOM 316 CA LEU A 23 -9.533 10.256 1.173 1.00 0.00 C ATOM 317 C LEU A 23 -8.834 9.559 2.341 1.00 0.00 C ATOM 318 O LEU A 23 -7.656 9.804 2.600 1.00 0.00 O ATOM 319 CB LEU A 23 -8.909 9.948 -0.190 1.00 0.00 C ATOM 320 CG LEU A 23 -9.012 8.497 -0.662 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.456 8.137 -1.018 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.051 8.228 -1.822 1.00 0.00 C ATOM 0 H LEU A 23 -8.737 12.192 1.060 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.549 9.863 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.382 10.586 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.855 10.224 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.712 7.848 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.501 7.100 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.090 8.264 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.807 8.790 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.144 7.189 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.295 8.885 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.028 8.418 -1.498 1.00 0.00 H new ATOM 334 N ILE A 24 -9.588 8.703 3.015 1.00 0.00 N ATOM 335 CA ILE A 24 -9.055 7.968 4.149 1.00 0.00 C ATOM 336 C ILE A 24 -8.530 6.613 3.672 1.00 0.00 C ATOM 337 O ILE A 24 -9.216 5.899 2.942 1.00 0.00 O ATOM 338 CB ILE A 24 -10.101 7.866 5.261 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.202 9.177 6.042 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.814 6.674 6.176 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.477 10.354 5.104 1.00 0.00 C ATOM 0 H ILE A 24 -10.564 8.502 2.797 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.211 8.501 4.586 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.073 7.691 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.999 9.103 6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.275 9.351 6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.572 6.624 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.834 5.754 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.831 6.793 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.544 11.274 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.666 10.440 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.417 10.188 4.578 1.00 0.00 H new ATOM 353 N VAL A 25 -7.317 6.298 4.105 1.00 0.00 N ATOM 354 CA VAL A 25 -6.692 5.041 3.731 1.00 0.00 C ATOM 355 C VAL A 25 -5.838 4.535 4.895 1.00 0.00 C ATOM 356 O VAL A 25 -4.760 5.066 5.156 1.00 0.00 O ATOM 357 CB VAL A 25 -5.894 5.218 2.437 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.456 6.672 2.258 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.690 4.274 2.402 1.00 0.00 C ATOM 0 H VAL A 25 -6.751 6.892 4.711 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.449 4.283 3.529 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.546 4.960 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.891 6.770 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.336 7.314 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.829 6.969 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.140 4.420 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.036 4.487 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.035 3.242 2.461 1.00 0.00 H new ATOM 369 N THR A 26 -6.354 3.514 5.565 1.00 0.00 N ATOM 370 CA THR A 26 -5.652 2.931 6.696 1.00 0.00 C ATOM 371 C THR A 26 -4.989 1.613 6.289 1.00 0.00 C ATOM 372 O THR A 26 -5.661 0.691 5.831 1.00 0.00 O ATOM 373 CB THR A 26 -6.651 2.779 7.845 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.580 4.024 8.534 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.196 1.752 8.884 1.00 0.00 C ATOM 0 H THR A 26 -7.249 3.076 5.346 1.00 0.00 H new ATOM 0 HA THR A 26 -4.841 3.576 7.034 1.00 0.00 H new ATOM 0 HB THR A 26 -7.622 2.486 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.898 3.971 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.940 1.683 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.082 0.778 8.407 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.241 2.062 9.308 1.00 0.00 H new ATOM 383 N ILE A 27 -3.677 1.567 6.473 1.00 0.00 N ATOM 384 CA ILE A 27 -2.915 0.378 6.131 1.00 0.00 C ATOM 385 C ILE A 27 -2.943 -0.597 7.310 1.00 0.00 C ATOM 386 O ILE A 27 -2.200 -0.430 8.276 1.00 0.00 O ATOM 387 CB ILE A 27 -1.503 0.757 5.680 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.547 1.709 4.483 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.666 -0.490 5.391 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.124 1.012 3.249 1.00 0.00 C ATOM 0 H ILE A 27 -3.123 2.334 6.854 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.369 -0.134 5.282 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.015 1.289 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.153 2.581 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.542 2.071 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.333 -0.192 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.593 -1.096 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.140 -1.072 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.144 1.711 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.502 0.155 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.138 0.673 3.463 1.00 0.00 H new ATOM 402 N LEU A 28 -3.809 -1.593 7.192 1.00 0.00 N ATOM 403 CA LEU A 28 -3.944 -2.595 8.236 1.00 0.00 C ATOM 404 C LEU A 28 -2.640 -3.387 8.348 1.00 0.00 C ATOM 405 O LEU A 28 -1.682 -2.929 8.969 1.00 0.00 O ATOM 406 CB LEU A 28 -5.174 -3.468 7.984 1.00 0.00 C ATOM 407 CG LEU A 28 -6.522 -2.744 7.984 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.546 -3.492 7.127 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.025 -2.519 9.411 1.00 0.00 C ATOM 0 H LEU A 28 -4.424 -1.728 6.390 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.112 -2.119 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.051 -3.965 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.203 -4.248 8.745 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.381 -1.761 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.495 -2.956 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.184 -3.556 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.689 -4.497 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.985 -2.003 9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.146 -3.480 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.304 -1.913 9.960 1.00 0.00 H new ATOM 421 N GLY A 29 -2.644 -4.563 7.736 1.00 0.00 N ATOM 422 CA GLY A 29 -1.474 -5.423 7.760 1.00 0.00 C ATOM 423 C GLY A 29 -1.450 -6.350 6.542 1.00 0.00 C ATOM 424 O GLY A 29 -2.417 -6.410 5.785 1.00 0.00 O ATOM 0 H GLY A 29 -3.440 -4.940 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.570 -4.814 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.474 -6.017 8.674 1.00 0.00 H new ATOM 428 N ALA A 30 -0.335 -7.049 6.393 1.00 0.00 N ATOM 429 CA ALA A 30 -0.173 -7.970 5.281 1.00 0.00 C ATOM 430 C ALA A 30 -0.138 -9.404 5.813 1.00 0.00 C ATOM 431 O ALA A 30 0.143 -9.627 6.990 1.00 0.00 O ATOM 432 CB ALA A 30 1.091 -7.608 4.498 1.00 0.00 C ATOM 0 H ALA A 30 0.465 -6.996 7.024 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.016 -7.894 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.213 -8.299 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.004 -6.591 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.958 -7.676 5.155 1.00 0.00 H new ATOM 438 N LYS A 31 -0.427 -10.340 4.921 1.00 0.00 N ATOM 439 CA LYS A 31 -0.432 -11.746 5.286 1.00 0.00 C ATOM 440 C LYS A 31 -0.084 -12.589 4.057 1.00 0.00 C ATOM 441 O LYS A 31 -0.036 -12.075 2.940 1.00 0.00 O ATOM 442 CB LYS A 31 -1.764 -12.127 5.935 1.00 0.00 C ATOM 443 CG LYS A 31 -2.904 -12.078 4.916 1.00 0.00 C ATOM 444 CD LYS A 31 -3.187 -13.469 4.343 1.00 0.00 C ATOM 445 CE LYS A 31 -4.257 -14.192 5.163 1.00 0.00 C ATOM 446 NZ LYS A 31 -3.759 -15.510 5.617 1.00 0.00 N ATOM 0 H LYS A 31 -0.659 -10.152 3.946 1.00 0.00 H new ATOM 0 HA LYS A 31 0.331 -11.946 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.693 -13.129 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.979 -11.447 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.804 -11.686 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.645 -11.394 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.516 -13.380 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.269 -14.057 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.535 -13.585 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.157 -14.324 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.497 -15.988 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.516 -16.093 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.913 -15.377 6.208 1.00 0.00 H new ATOM 460 N ASP A 32 0.151 -13.870 4.304 1.00 0.00 N ATOM 461 CA ASP A 32 0.493 -14.788 3.232 1.00 0.00 C ATOM 462 C ASP A 32 1.816 -14.355 2.598 1.00 0.00 C ATOM 463 O ASP A 32 2.075 -14.648 1.431 1.00 0.00 O ATOM 464 CB ASP A 32 -0.578 -14.784 2.140 1.00 0.00 C ATOM 465 CG ASP A 32 -1.563 -15.954 2.196 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.445 -16.750 3.152 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.413 -16.024 1.282 1.00 0.00 O ATOM 0 H ASP A 32 0.111 -14.293 5.231 1.00 0.00 H new ATOM 0 HA ASP A 32 0.570 -15.789 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.140 -13.852 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.085 -14.790 1.168 1.00 0.00 H new ATOM 472 N LEU A 33 2.619 -13.663 3.393 1.00 0.00 N ATOM 473 CA LEU A 33 3.908 -13.186 2.924 1.00 0.00 C ATOM 474 C LEU A 33 4.894 -14.356 2.878 1.00 0.00 C ATOM 475 O LEU A 33 4.748 -15.325 3.621 1.00 0.00 O ATOM 476 CB LEU A 33 4.389 -12.011 3.779 1.00 0.00 C ATOM 477 CG LEU A 33 3.398 -10.858 3.949 1.00 0.00 C ATOM 478 CD1 LEU A 33 4.067 -9.656 4.621 1.00 0.00 C ATOM 479 CD2 LEU A 33 2.757 -10.483 2.612 1.00 0.00 C ATOM 0 H LEU A 33 2.401 -13.421 4.360 1.00 0.00 H new ATOM 0 HA LEU A 33 3.824 -12.798 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.650 -12.389 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.304 -11.616 3.337 1.00 0.00 H new ATOM 0 HG LEU A 33 2.596 -11.191 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.342 -8.850 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.436 -9.948 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.900 -9.313 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.057 -9.661 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.532 -10.176 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.224 -11.345 2.210 1.00 0.00 H new ATOM 612 N ARG A 42 11.077 -11.534 7.816 1.00 0.00 N ATOM 613 CA ARG A 42 11.730 -10.458 7.090 1.00 0.00 C ATOM 614 C ARG A 42 11.241 -9.100 7.598 1.00 0.00 C ATOM 615 O ARG A 42 10.549 -9.026 8.613 1.00 0.00 O ATOM 616 CB ARG A 42 11.456 -10.561 5.588 1.00 0.00 C ATOM 617 CG ARG A 42 9.953 -10.552 5.303 1.00 0.00 C ATOM 618 CD ARG A 42 9.678 -10.707 3.806 1.00 0.00 C ATOM 619 NE ARG A 42 9.876 -12.116 3.398 1.00 0.00 N ATOM 620 CZ ARG A 42 11.044 -12.618 2.975 1.00 0.00 C ATOM 621 NH1 ARG A 42 12.125 -11.829 2.901 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.131 -13.908 2.624 1.00 0.00 N ATOM 0 HA ARG A 42 12.803 -10.548 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.933 -9.729 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.899 -11.477 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.471 -11.361 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.517 -9.620 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.658 -10.395 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.343 -10.058 3.237 1.00 0.00 H new ATOM 0 HE ARG A 42 9.073 -12.744 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.058 -10.846 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.014 -12.211 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.308 -14.508 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.020 -14.290 2.302 1.00 0.00 H new ATOM 636 N ASN A 43 11.618 -8.060 6.869 1.00 0.00 N ATOM 637 CA ASN A 43 11.226 -6.709 7.234 1.00 0.00 C ATOM 638 C ASN A 43 10.343 -6.124 6.130 1.00 0.00 C ATOM 639 O ASN A 43 10.821 -5.374 5.280 1.00 0.00 O ATOM 640 CB ASN A 43 12.449 -5.804 7.391 1.00 0.00 C ATOM 641 CG ASN A 43 13.494 -6.448 8.305 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.233 -7.411 9.007 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.687 -5.864 8.257 1.00 0.00 N ATOM 0 H ASN A 43 12.191 -8.125 6.027 1.00 0.00 H new ATOM 0 HA ASN A 43 10.690 -6.757 8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.888 -5.607 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.144 -4.842 7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.452 -6.219 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.837 -5.061 7.647 1.00 0.00 H new ATOM 650 N PRO A 44 9.036 -6.498 6.179 1.00 0.00 N ATOM 651 CA PRO A 44 8.083 -6.018 5.194 1.00 0.00 C ATOM 652 C PRO A 44 7.710 -4.558 5.457 1.00 0.00 C ATOM 653 O PRO A 44 7.972 -4.031 6.537 1.00 0.00 O ATOM 654 CB PRO A 44 6.896 -6.962 5.302 1.00 0.00 C ATOM 655 CG PRO A 44 7.030 -7.646 6.653 1.00 0.00 C ATOM 656 CD PRO A 44 8.435 -7.385 7.171 1.00 0.00 C ATOM 0 HA PRO A 44 8.488 -6.021 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.955 -6.416 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.902 -7.692 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.288 -7.260 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.851 -8.717 6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.414 -6.920 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.000 -8.312 7.268 1.00 0.00 H new ATOM 664 N TYR A 45 7.105 -3.944 4.451 1.00 0.00 N ATOM 665 CA TYR A 45 6.694 -2.555 4.560 1.00 0.00 C ATOM 666 C TYR A 45 5.922 -2.112 3.315 1.00 0.00 C ATOM 667 O TYR A 45 6.330 -2.403 2.191 1.00 0.00 O ATOM 668 CB TYR A 45 7.984 -1.740 4.662 1.00 0.00 C ATOM 669 CG TYR A 45 8.623 -1.414 3.310 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.053 -0.461 2.490 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.769 -2.072 2.912 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.654 -0.154 1.218 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.370 -1.765 1.640 1.00 0.00 C ATOM 674 CZ TYR A 45 9.783 -0.821 0.856 1.00 0.00 C ATOM 675 OH TYR A 45 10.351 -0.531 -0.346 1.00 0.00 O ATOM 0 H TYR A 45 6.889 -4.383 3.556 1.00 0.00 H new ATOM 0 HA TYR A 45 6.042 -2.415 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.772 -0.808 5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.703 -2.291 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.157 0.054 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.215 -2.817 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.218 0.589 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.266 -2.273 1.316 1.00 0.00 H new ATOM 0 HH TYR A 45 9.887 -1.025 -1.054 1.00 0.00 H new ATOM 685 N VAL A 46 4.821 -1.416 3.557 1.00 0.00 N ATOM 686 CA VAL A 46 3.989 -0.930 2.469 1.00 0.00 C ATOM 687 C VAL A 46 4.431 0.485 2.088 1.00 0.00 C ATOM 688 O VAL A 46 5.089 1.166 2.872 1.00 0.00 O ATOM 689 CB VAL A 46 2.513 -1.009 2.864 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.610 -0.919 1.632 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.226 -2.283 3.662 1.00 0.00 C ATOM 0 H VAL A 46 4.486 -1.177 4.490 1.00 0.00 H new ATOM 0 HA VAL A 46 4.110 -1.557 1.586 1.00 0.00 H new ATOM 0 HB VAL A 46 2.292 -0.155 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.566 -0.978 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.785 0.028 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.835 -1.743 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.170 -2.314 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.473 -3.155 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.831 -2.288 4.569 1.00 0.00 H new ATOM 701 N LYS A 47 4.050 0.884 0.883 1.00 0.00 N ATOM 702 CA LYS A 47 4.399 2.205 0.388 1.00 0.00 C ATOM 703 C LYS A 47 3.307 2.691 -0.567 1.00 0.00 C ATOM 704 O LYS A 47 3.221 2.229 -1.704 1.00 0.00 O ATOM 705 CB LYS A 47 5.798 2.192 -0.232 1.00 0.00 C ATOM 706 CG LYS A 47 6.466 3.563 -0.106 1.00 0.00 C ATOM 707 CD LYS A 47 7.920 3.510 -0.577 1.00 0.00 C ATOM 708 CE LYS A 47 8.002 3.511 -2.105 1.00 0.00 C ATOM 709 NZ LYS A 47 9.196 4.256 -2.560 1.00 0.00 N ATOM 0 H LYS A 47 3.504 0.316 0.235 1.00 0.00 H new ATOM 0 HA LYS A 47 4.446 2.920 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.411 1.438 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.731 1.911 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.915 4.295 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.428 3.896 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.466 4.365 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.401 2.614 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.044 2.486 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.103 3.964 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.236 4.247 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.141 5.239 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.052 3.807 -2.177 1.00 0.00 H new ATOM 723 N ILE A 48 2.501 3.617 -0.071 1.00 0.00 N ATOM 724 CA ILE A 48 1.418 4.171 -0.865 1.00 0.00 C ATOM 725 C ILE A 48 1.910 5.430 -1.582 1.00 0.00 C ATOM 726 O ILE A 48 2.791 6.129 -1.083 1.00 0.00 O ATOM 727 CB ILE A 48 0.179 4.402 0.003 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.105 3.186 0.887 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.029 4.782 -0.855 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.295 3.602 2.347 1.00 0.00 C ATOM 0 H ILE A 48 2.576 3.998 0.872 1.00 0.00 H new ATOM 0 HA ILE A 48 1.111 3.464 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 48 0.379 5.243 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.999 2.674 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.719 2.477 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.896 4.940 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.812 5.698 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.242 3.978 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.496 2.719 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.610 4.091 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.135 4.292 2.422 1.00 0.00 H new ATOM 742 N TYR A 49 1.319 5.682 -2.741 1.00 0.00 N ATOM 743 CA TYR A 49 1.686 6.845 -3.531 1.00 0.00 C ATOM 744 C TYR A 49 0.534 7.275 -4.442 1.00 0.00 C ATOM 745 O TYR A 49 0.343 6.710 -5.518 1.00 0.00 O ATOM 746 CB TYR A 49 2.869 6.409 -4.398 1.00 0.00 C ATOM 747 CG TYR A 49 4.189 7.095 -4.040 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.361 8.439 -4.302 1.00 0.00 C ATOM 749 CD2 TYR A 49 5.207 6.370 -3.455 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.603 9.085 -3.964 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.449 7.016 -3.117 1.00 0.00 C ATOM 752 CZ TYR A 49 6.586 8.342 -3.389 1.00 0.00 C ATOM 753 OH TYR A 49 7.759 8.952 -3.070 1.00 0.00 O ATOM 0 H TYR A 49 0.589 5.101 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 49 1.929 7.687 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.995 5.330 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.636 6.615 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.564 9.006 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.072 5.318 -3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.750 10.136 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.253 6.460 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 49 8.368 8.299 -2.665 1.00 0.00 H new ATOM 763 N PHE A 50 -0.205 8.272 -3.976 1.00 0.00 N ATOM 764 CA PHE A 50 -1.333 8.784 -4.735 1.00 0.00 C ATOM 765 C PHE A 50 -0.887 9.286 -6.110 1.00 0.00 C ATOM 766 O PHE A 50 -0.219 10.313 -6.213 1.00 0.00 O ATOM 767 CB PHE A 50 -1.911 9.957 -3.940 1.00 0.00 C ATOM 768 CG PHE A 50 -3.428 10.108 -4.068 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.089 9.494 -5.085 1.00 0.00 C ATOM 770 CD2 PHE A 50 -4.115 10.857 -3.164 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.498 9.634 -5.204 1.00 0.00 C ATOM 772 CE2 PHE A 50 -5.523 10.997 -3.282 1.00 0.00 C ATOM 773 CZ PHE A 50 -6.185 10.383 -4.300 1.00 0.00 C ATOM 0 H PHE A 50 -0.044 8.738 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.068 7.994 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.656 9.830 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.435 10.879 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.543 8.900 -5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.590 11.345 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.023 9.146 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.069 11.591 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.256 10.490 -4.390 1.00 0.00 H new ATOM 783 N LEU A 51 -1.274 8.536 -7.132 1.00 0.00 N ATOM 784 CA LEU A 51 -0.923 8.892 -8.496 1.00 0.00 C ATOM 785 C LEU A 51 -1.774 10.082 -8.944 1.00 0.00 C ATOM 786 O LEU A 51 -2.840 10.333 -8.384 1.00 0.00 O ATOM 787 CB LEU A 51 -1.038 7.673 -9.414 1.00 0.00 C ATOM 788 CG LEU A 51 0.196 6.771 -9.488 1.00 0.00 C ATOM 789 CD1 LEU A 51 0.834 6.601 -8.109 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.147 5.426 -10.131 1.00 0.00 C ATOM 0 H LEU A 51 -1.827 7.684 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 51 0.119 9.207 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.884 7.071 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.270 8.021 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 51 0.935 7.254 -10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.709 5.956 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.136 7.575 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.113 6.151 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.747 4.804 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.912 4.924 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.521 5.591 -11.142 1.00 0.00 H new ATOM 933 N ARG A 60 2.826 8.314 1.282 1.00 0.00 N ATOM 934 CA ARG A 60 2.497 7.786 2.595 1.00 0.00 C ATOM 935 C ARG A 60 3.073 6.378 2.760 1.00 0.00 C ATOM 936 O ARG A 60 2.687 5.458 2.041 1.00 0.00 O ATOM 937 CB ARG A 60 0.982 7.738 2.806 1.00 0.00 C ATOM 938 CG ARG A 60 0.403 9.148 2.942 1.00 0.00 C ATOM 939 CD ARG A 60 0.839 9.795 4.258 1.00 0.00 C ATOM 940 NE ARG A 60 -0.326 10.415 4.927 1.00 0.00 N ATOM 941 CZ ARG A 60 -0.252 11.119 6.065 1.00 0.00 C ATOM 942 NH1 ARG A 60 0.932 11.296 6.667 1.00 0.00 N ATOM 943 NH2 ARG A 60 -1.362 11.645 6.601 1.00 0.00 N ATOM 0 HA ARG A 60 2.935 8.451 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.510 7.227 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.754 7.159 3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.732 9.762 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.685 9.104 2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.287 9.046 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.603 10.549 4.067 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.243 10.299 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.777 10.895 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.989 11.832 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.263 11.510 6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.306 12.181 7.467 1.00 0.00 H new ATOM 957 N ARG A 61 3.987 6.255 3.711 1.00 0.00 N ATOM 958 CA ARG A 61 4.620 4.975 3.980 1.00 0.00 C ATOM 959 C ARG A 61 4.495 4.623 5.464 1.00 0.00 C ATOM 960 O ARG A 61 4.699 5.475 6.327 1.00 0.00 O ATOM 961 CB ARG A 61 6.099 5.000 3.591 1.00 0.00 C ATOM 962 CG ARG A 61 6.812 3.732 4.067 1.00 0.00 C ATOM 963 CD ARG A 61 8.272 3.719 3.608 1.00 0.00 C ATOM 964 NE ARG A 61 9.170 3.604 4.779 1.00 0.00 N ATOM 965 CZ ARG A 61 10.503 3.717 4.717 1.00 0.00 C ATOM 966 NH1 ARG A 61 11.102 3.949 3.541 1.00 0.00 N ATOM 967 NH2 ARG A 61 11.238 3.598 5.831 1.00 0.00 N ATOM 0 H ARG A 61 4.305 7.021 4.305 1.00 0.00 H new ATOM 0 HA ARG A 61 4.111 4.220 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.193 5.090 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.579 5.877 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.768 3.672 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.297 2.853 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.440 2.885 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.496 4.632 3.056 1.00 0.00 H new ATOM 0 HE ARG A 61 8.747 3.428 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.543 4.040 2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.117 4.035 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.782 3.421 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.253 3.684 5.784 1.00 0.00 H new ATOM 981 N THR A 62 4.161 3.365 5.714 1.00 0.00 N ATOM 982 CA THR A 62 4.007 2.889 7.078 1.00 0.00 C ATOM 983 C THR A 62 5.370 2.539 7.678 1.00 0.00 C ATOM 984 O THR A 62 6.362 2.440 6.958 1.00 0.00 O ATOM 985 CB THR A 62 3.030 1.712 7.061 1.00 0.00 C ATOM 986 OG1 THR A 62 3.669 0.743 6.235 1.00 0.00 O ATOM 987 CG2 THR A 62 1.733 2.038 6.318 1.00 0.00 C ATOM 0 H THR A 62 3.993 2.661 4.995 1.00 0.00 H new ATOM 0 HA THR A 62 3.593 3.664 7.723 1.00 0.00 H new ATOM 0 HB THR A 62 2.798 1.418 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.735 -0.107 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.075 1.169 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.237 2.879 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.961 2.299 5.285 1.00 0.00 H new ATOM 995 N LYS A 63 5.375 2.361 8.991 1.00 0.00 N ATOM 996 CA LYS A 63 6.600 2.024 9.696 1.00 0.00 C ATOM 997 C LYS A 63 7.161 0.715 9.138 1.00 0.00 C ATOM 998 O LYS A 63 6.404 -0.178 8.759 1.00 0.00 O ATOM 999 CB LYS A 63 6.359 1.995 11.206 1.00 0.00 C ATOM 1000 CG LYS A 63 5.113 1.175 11.547 1.00 0.00 C ATOM 1001 CD LYS A 63 5.322 0.364 12.827 1.00 0.00 C ATOM 1002 CE LYS A 63 4.979 -1.110 12.605 1.00 0.00 C ATOM 1003 NZ LYS A 63 5.658 -1.957 13.610 1.00 0.00 N ATOM 0 H LYS A 63 4.550 2.444 9.585 1.00 0.00 H new ATOM 0 HA LYS A 63 7.357 2.791 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.228 1.569 11.708 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.242 3.013 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.258 1.840 11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.878 0.503 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.358 0.455 13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.699 0.770 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.900 -1.252 12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.281 -1.413 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.414 -2.954 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.688 -1.834 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.350 -1.679 14.564 1.00 0.00 H new ATOM 1017 N THR A 64 8.484 0.641 9.104 1.00 0.00 N ATOM 1018 CA THR A 64 9.154 -0.544 8.598 1.00 0.00 C ATOM 1019 C THR A 64 9.207 -1.628 9.676 1.00 0.00 C ATOM 1020 O THR A 64 9.924 -1.490 10.666 1.00 0.00 O ATOM 1021 CB THR A 64 10.535 -0.126 8.089 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.253 0.751 7.002 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.298 -1.285 7.445 1.00 0.00 C ATOM 0 H THR A 64 9.109 1.383 9.419 1.00 0.00 H new ATOM 0 HA THR A 64 8.604 -0.984 7.766 1.00 0.00 H new ATOM 0 HB THR A 64 11.120 0.277 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.094 1.071 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.271 -0.934 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.437 -2.080 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.730 -1.668 6.597 1.00 0.00 H new ATOM 1031 N VAL A 65 8.439 -2.683 9.448 1.00 0.00 N ATOM 1032 CA VAL A 65 8.389 -3.790 10.388 1.00 0.00 C ATOM 1033 C VAL A 65 9.638 -4.657 10.215 1.00 0.00 C ATOM 1034 O VAL A 65 10.180 -4.759 9.115 1.00 0.00 O ATOM 1035 CB VAL A 65 7.088 -4.574 10.205 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.664 -5.246 11.512 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.975 -3.672 9.667 1.00 0.00 C ATOM 0 H VAL A 65 7.846 -2.795 8.626 1.00 0.00 H new ATOM 0 HA VAL A 65 8.389 -3.420 11.413 1.00 0.00 H new ATOM 0 HB VAL A 65 7.270 -5.357 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.737 -5.796 11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.444 -5.935 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.509 -4.486 12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.061 -4.254 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.796 -2.857 10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.274 -3.261 8.703 1.00 0.00 H new ATOM 1047 N LYS A 66 10.059 -5.259 11.318 1.00 0.00 N ATOM 1048 CA LYS A 66 11.234 -6.114 11.302 1.00 0.00 C ATOM 1049 C LYS A 66 10.853 -7.507 11.807 1.00 0.00 C ATOM 1050 O LYS A 66 10.258 -7.642 12.875 1.00 0.00 O ATOM 1051 CB LYS A 66 12.377 -5.466 12.086 1.00 0.00 C ATOM 1052 CG LYS A 66 12.703 -4.077 11.534 1.00 0.00 C ATOM 1053 CD LYS A 66 14.072 -4.067 10.849 1.00 0.00 C ATOM 1054 CE LYS A 66 14.829 -2.773 11.158 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.289 -3.018 11.171 1.00 0.00 N ATOM 0 H LYS A 66 9.607 -5.172 12.228 1.00 0.00 H new ATOM 0 HA LYS A 66 11.604 -6.235 10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.102 -5.388 13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.263 -6.099 12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.934 -3.775 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.692 -3.348 12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.657 -4.924 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.944 -4.170 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.588 -2.016 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.511 -2.380 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.788 -2.130 11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.516 -3.725 11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.590 -3.372 10.240 1.00 0.00 H new ATOM 1069 N LYS A 67 11.212 -8.507 11.016 1.00 0.00 N ATOM 1070 CA LYS A 67 10.915 -9.884 11.370 1.00 0.00 C ATOM 1071 C LYS A 67 9.418 -10.023 11.652 1.00 0.00 C ATOM 1072 O LYS A 67 8.987 -9.928 12.800 1.00 0.00 O ATOM 1073 CB LYS A 67 11.804 -10.344 12.527 1.00 0.00 C ATOM 1074 CG LYS A 67 13.194 -10.740 12.026 1.00 0.00 C ATOM 1075 CD LYS A 67 14.058 -11.273 13.171 1.00 0.00 C ATOM 1076 CE LYS A 67 14.333 -12.768 13.000 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.017 -13.310 14.195 1.00 0.00 N ATOM 0 H LYS A 67 11.706 -8.391 10.131 1.00 0.00 H new ATOM 0 HA LYS A 67 11.146 -10.549 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.893 -9.544 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.340 -11.191 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.102 -11.500 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.680 -9.877 11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.001 -10.728 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.555 -11.098 14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.395 -13.300 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.949 -12.931 12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.196 -14.326 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.921 -12.814 14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.416 -13.171 15.032 1.00 0.00 H new ATOM 1091 N THR A 68 8.665 -10.245 10.584 1.00 0.00 N ATOM 1092 CA THR A 68 7.224 -10.397 10.703 1.00 0.00 C ATOM 1093 C THR A 68 6.604 -10.679 9.334 1.00 0.00 C ATOM 1094 O THR A 68 6.613 -9.819 8.454 1.00 0.00 O ATOM 1095 CB THR A 68 6.670 -9.139 11.374 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.573 -9.614 12.150 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.029 -8.176 10.373 1.00 0.00 C ATOM 0 H THR A 68 9.025 -10.323 9.633 1.00 0.00 H new ATOM 0 HA THR A 68 6.966 -11.254 11.325 1.00 0.00 H new ATOM 0 HB THR A 68 7.472 -8.628 11.906 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.156 -8.863 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.652 -7.300 10.901 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.773 -7.865 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.205 -8.676 9.864 1.00 0.00 H new ATOM 1105 N LEU A 69 6.078 -11.888 9.195 1.00 0.00 N ATOM 1106 CA LEU A 69 5.454 -12.294 7.948 1.00 0.00 C ATOM 1107 C LEU A 69 4.125 -11.555 7.783 1.00 0.00 C ATOM 1108 O LEU A 69 3.624 -11.412 6.669 1.00 0.00 O ATOM 1109 CB LEU A 69 5.322 -13.817 7.886 1.00 0.00 C ATOM 1110 CG LEU A 69 6.380 -14.549 7.057 1.00 0.00 C ATOM 1111 CD1 LEU A 69 7.790 -14.206 7.542 1.00 0.00 C ATOM 1112 CD2 LEU A 69 6.127 -16.058 7.054 1.00 0.00 C ATOM 0 H LEU A 69 6.072 -12.599 9.926 1.00 0.00 H new ATOM 0 HA LEU A 69 6.081 -12.016 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.353 -14.206 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.340 -14.061 7.481 1.00 0.00 H new ATOM 0 HG LEU A 69 6.302 -14.207 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.523 -14.739 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.955 -13.133 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.898 -14.502 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.893 -16.554 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.162 -16.435 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.146 -16.262 6.626 1.00 0.00 H new ATOM 1124 N GLU A 70 3.591 -11.105 8.909 1.00 0.00 N ATOM 1125 CA GLU A 70 2.330 -10.384 8.904 1.00 0.00 C ATOM 1126 C GLU A 70 2.458 -9.084 9.701 1.00 0.00 C ATOM 1127 O GLU A 70 2.260 -9.075 10.915 1.00 0.00 O ATOM 1128 CB GLU A 70 1.198 -11.255 9.452 1.00 0.00 C ATOM 1129 CG GLU A 70 0.720 -12.259 8.401 1.00 0.00 C ATOM 1130 CD GLU A 70 0.472 -13.632 9.027 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -0.235 -13.667 10.057 1.00 0.00 O ATOM 1132 OE2 GLU A 70 0.996 -14.617 8.462 1.00 0.00 O ATOM 0 H GLU A 70 4.009 -11.226 9.831 1.00 0.00 H new ATOM 0 HA GLU A 70 2.083 -10.131 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.541 -11.787 10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.365 -10.623 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.197 -11.896 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.465 -12.345 7.610 1.00 0.00 H new ATOM 1139 N PRO A 71 2.796 -7.990 8.968 1.00 0.00 N ATOM 1140 CA PRO A 71 2.952 -6.689 9.594 1.00 0.00 C ATOM 1141 C PRO A 71 1.592 -6.079 9.939 1.00 0.00 C ATOM 1142 O PRO A 71 0.610 -6.304 9.233 1.00 0.00 O ATOM 1143 CB PRO A 71 3.736 -5.860 8.589 1.00 0.00 C ATOM 1144 CG PRO A 71 3.588 -6.573 7.255 1.00 0.00 C ATOM 1145 CD PRO A 71 3.038 -7.964 7.528 1.00 0.00 C ATOM 0 HA PRO A 71 3.480 -6.742 10.546 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.347 -4.843 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.784 -5.785 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.917 -6.019 6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.550 -6.636 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.120 -8.144 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.748 -8.736 7.232 1.00 0.00 H new ATOM 1153 N LYS A 72 1.578 -5.320 11.025 1.00 0.00 N ATOM 1154 CA LYS A 72 0.354 -4.676 11.472 1.00 0.00 C ATOM 1155 C LYS A 72 0.610 -3.179 11.660 1.00 0.00 C ATOM 1156 O LYS A 72 1.078 -2.753 12.714 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.188 -5.369 12.724 1.00 0.00 C ATOM 1158 CG LYS A 72 0.216 -6.844 12.753 1.00 0.00 C ATOM 1159 CD LYS A 72 1.170 -7.129 13.916 1.00 0.00 C ATOM 1160 CE LYS A 72 2.073 -8.323 13.604 1.00 0.00 C ATOM 1161 NZ LYS A 72 1.262 -9.503 13.231 1.00 0.00 N ATOM 0 H LYS A 72 2.394 -5.136 11.608 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.426 -4.774 10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.191 -4.867 13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.275 -5.285 12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.674 -7.467 12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.695 -7.112 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.781 -6.248 14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.596 -7.329 14.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.753 -8.070 12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.689 -8.557 14.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.626 -10.344 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.271 -9.344 13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.318 -9.652 12.203 1.00 0.00 H new ATOM 1175 N TRP A 73 0.290 -2.423 10.620 1.00 0.00 N ATOM 1176 CA TRP A 73 0.478 -0.982 10.657 1.00 0.00 C ATOM 1177 C TRP A 73 -0.795 -0.353 11.227 1.00 0.00 C ATOM 1178 O TRP A 73 -0.727 0.520 12.090 1.00 0.00 O ATOM 1179 CB TRP A 73 0.845 -0.442 9.274 1.00 0.00 C ATOM 1180 CG TRP A 73 1.922 -1.255 8.553 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.249 -1.203 8.726 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.707 -2.252 7.531 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.903 -2.089 7.894 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.935 -2.747 7.144 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.513 -2.719 6.953 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.089 -3.735 6.164 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.685 -3.706 5.975 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.914 -4.215 5.574 1.00 0.00 C ATOM 0 H TRP A 73 -0.098 -2.781 9.747 1.00 0.00 H new ATOM 0 HA TRP A 73 1.315 -0.718 11.304 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -0.052 -0.418 8.655 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.189 0.587 9.377 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.745 -0.550 9.428 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.911 -2.234 7.839 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.459 -2.346 7.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.062 -4.107 5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.201 -4.100 5.498 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.962 -4.977 4.811 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.926 -0.821 10.720 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.212 -0.315 11.167 1.00 0.00 C ATOM 1201 C ASN A 74 -3.124 1.201 11.349 1.00 0.00 C ATOM 1202 O ASN A 74 -3.767 1.763 12.234 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.608 -0.930 12.511 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.859 -1.800 12.369 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -5.957 -1.419 12.739 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -4.632 -2.986 11.813 1.00 0.00 N ATOM 0 H ASN A 74 -1.978 -1.545 10.004 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.957 -0.577 10.416 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.785 -1.531 12.897 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.792 -0.138 13.237 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.402 -3.640 11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.687 -3.242 11.526 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.321 1.821 10.496 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.140 3.262 10.551 1.00 0.00 C ATOM 1215 C GLN A 75 -3.269 3.968 9.797 1.00 0.00 C ATOM 1216 O GLN A 75 -4.186 3.319 9.296 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.773 3.665 9.995 1.00 0.00 C ATOM 1218 CG GLN A 75 0.329 3.443 11.033 1.00 0.00 C ATOM 1219 CD GLN A 75 0.812 4.774 11.612 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.455 5.170 12.709 1.00 0.00 O ATOM 1221 NE2 GLN A 75 1.644 5.440 10.815 1.00 0.00 N ATOM 0 H GLN A 75 -1.789 1.352 9.763 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.176 3.573 11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.555 3.084 9.099 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.792 4.714 9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.045 2.807 11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.166 2.917 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.902 5.051 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.023 6.339 11.111 1.00 0.00 H new ATOM 1230 N THR A 76 -3.165 5.288 9.740 1.00 0.00 N ATOM 1231 CA THR A 76 -4.165 6.089 9.056 1.00 0.00 C ATOM 1232 C THR A 76 -3.493 7.111 8.137 1.00 0.00 C ATOM 1233 O THR A 76 -2.485 7.713 8.505 1.00 0.00 O ATOM 1234 CB THR A 76 -5.067 6.725 10.115 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.847 5.637 10.605 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.098 7.680 9.510 1.00 0.00 C ATOM 0 H THR A 76 -2.403 5.823 10.157 1.00 0.00 H new ATOM 0 HA THR A 76 -4.787 5.474 8.406 1.00 0.00 H new ATOM 0 HB THR A 76 -4.454 7.264 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.460 5.960 11.298 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.712 8.104 10.305 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.584 8.483 8.981 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.733 7.135 8.812 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.078 7.275 6.960 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.548 8.214 5.985 1.00 0.00 C ATOM 1246 C PHE A 77 -4.678 8.954 5.267 1.00 0.00 C ATOM 1247 O PHE A 77 -5.475 8.341 4.559 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.757 7.397 4.961 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.545 6.671 5.547 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.585 7.373 6.207 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.427 5.323 5.408 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.540 6.698 6.751 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.302 4.649 5.952 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.658 5.350 6.612 1.00 0.00 C ATOM 0 H PHE A 77 -4.914 6.774 6.659 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.923 8.955 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.422 6.663 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.420 8.060 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.678 8.443 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.189 4.765 4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.302 7.255 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.209 3.579 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.514 4.837 7.026 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.710 10.263 5.473 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.728 11.093 4.854 1.00 0.00 C ATOM 1266 C ILE A 78 -5.126 11.819 3.649 1.00 0.00 C ATOM 1267 O ILE A 78 -3.947 12.170 3.658 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.355 12.032 5.887 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.390 11.295 6.740 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.946 13.272 5.214 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.442 11.871 8.157 1.00 0.00 C ATOM 0 H ILE A 78 -4.047 10.769 6.060 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.545 10.477 4.479 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.568 12.375 6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.373 11.374 6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.142 10.234 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.385 13.922 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.158 13.810 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.716 12.969 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.185 11.330 8.743 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.464 11.768 8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.714 12.926 8.111 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.962 12.023 2.642 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.526 12.701 1.433 1.00 0.00 C ATOM 1285 C TYR A 79 -6.572 13.716 0.966 1.00 0.00 C ATOM 1286 O TYR A 79 -7.651 13.337 0.513 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.379 11.612 0.369 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.977 11.004 0.289 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.873 11.827 0.206 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.817 9.634 0.301 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.553 11.256 0.131 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.498 9.062 0.227 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.431 9.901 0.145 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.185 9.361 0.075 1.00 0.00 O ATOM 0 H TYR A 79 -6.939 11.731 2.638 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.596 13.241 1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.097 10.818 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.638 12.031 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.999 12.900 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.682 8.990 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.680 11.889 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.359 7.991 0.236 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.250 8.383 0.096 1.00 0.00 H new ATOM 1304 N SER A 80 -6.216 14.985 1.093 1.00 0.00 N ATOM 1305 CA SER A 80 -7.110 16.057 0.690 1.00 0.00 C ATOM 1306 C SER A 80 -6.301 17.239 0.152 1.00 0.00 C ATOM 1307 O SER A 80 -5.107 17.354 0.424 1.00 0.00 O ATOM 1308 CB SER A 80 -7.993 16.506 1.857 1.00 0.00 C ATOM 1309 OG SER A 80 -7.640 17.805 2.324 1.00 0.00 O ATOM 0 H SER A 80 -5.320 15.295 1.469 1.00 0.00 H new ATOM 0 HA SER A 80 -7.761 15.681 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.037 16.505 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.905 15.790 2.675 1.00 0.00 H new ATOM 0 HG SER A 80 -8.227 18.056 3.067 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.001 18.110 -0.623 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.413 17.900 -0.897 1.00 0.00 C ATOM 1317 C PRO A 81 -8.612 16.777 -1.917 1.00 0.00 C ATOM 1318 O PRO A 81 -7.843 16.655 -2.869 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.923 19.245 -1.386 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.692 20.029 -1.810 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.470 19.313 -1.257 1.00 0.00 C ATOM 0 HA PRO A 81 -8.969 17.575 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.613 19.121 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.466 19.767 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.637 20.095 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.740 21.050 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.764 19.064 -2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.937 19.936 -0.539 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.650 15.986 -1.684 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.960 14.878 -2.571 1.00 0.00 C ATOM 1331 C VAL A 82 -11.448 14.915 -2.924 1.00 0.00 C ATOM 1332 O VAL A 82 -12.302 14.820 -2.044 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.531 13.558 -1.929 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.273 12.376 -2.556 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.016 13.368 -2.026 1.00 0.00 C ATOM 0 H VAL A 82 -10.286 16.091 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.402 14.967 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.797 13.598 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.949 11.450 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.346 12.502 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.053 12.333 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.738 12.422 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.717 13.360 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.513 14.186 -1.511 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.714 15.052 -4.215 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.084 15.103 -4.696 1.00 0.00 C ATOM 1347 C HIS A 83 -13.466 13.750 -5.300 1.00 0.00 C ATOM 1348 O HIS A 83 -12.605 12.900 -5.522 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.275 16.264 -5.674 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.785 17.531 -5.030 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -14.813 18.285 -5.570 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -13.399 18.168 -3.887 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -15.027 19.326 -4.780 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -14.150 19.253 -3.738 1.00 0.00 N ATOM 0 H HIS A 83 -11.004 15.129 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.759 15.294 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.324 16.474 -6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.973 15.958 -6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.616 17.845 -3.217 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.767 20.098 -4.934 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.082 19.922 -2.971 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.758 13.593 -5.550 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.264 12.359 -6.125 1.00 0.00 C ATOM 1364 C ARG A 84 -15.127 12.386 -7.648 1.00 0.00 C ATOM 1365 O ARG A 84 -15.145 11.341 -8.296 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.733 12.141 -5.756 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.116 10.665 -5.874 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.038 9.968 -4.514 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.545 8.582 -4.625 1.00 0.00 N ATOM 1370 CZ ARG A 84 -17.931 7.837 -3.580 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -17.870 8.340 -2.340 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.378 6.589 -3.776 1.00 0.00 N ATOM 0 H ARG A 84 -15.469 14.300 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.673 11.538 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -16.911 12.486 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.368 12.738 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.126 10.579 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.451 10.168 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.007 9.960 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.624 10.520 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.604 8.168 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -17.530 9.290 -2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -18.164 7.773 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.424 6.206 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -18.672 6.022 -2.981 1.00 0.00 H new ATOM 1386 N ARG A 85 -14.992 13.594 -8.176 1.00 0.00 N ATOM 1387 CA ARG A 85 -14.852 13.772 -9.611 1.00 0.00 C ATOM 1388 C ARG A 85 -13.395 13.569 -10.031 1.00 0.00 C ATOM 1389 O ARG A 85 -13.077 13.604 -11.219 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.309 15.167 -10.041 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.281 16.228 -9.643 1.00 0.00 C ATOM 1392 CD ARG A 85 -13.693 16.913 -10.878 1.00 0.00 C ATOM 1393 NE ARG A 85 -12.298 17.327 -10.611 1.00 0.00 N ATOM 1394 CZ ARG A 85 -11.958 18.415 -9.907 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -12.911 19.206 -9.395 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -10.666 18.713 -9.716 1.00 0.00 N ATOM 0 H ARG A 85 -14.977 14.459 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.482 13.029 -10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.459 15.188 -11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.270 15.396 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.751 16.972 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.482 15.766 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.723 16.233 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.295 17.782 -11.143 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.547 16.747 -10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.895 18.980 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.653 20.034 -8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.941 18.112 -10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.408 19.541 -9.180 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.548 13.361 -9.034 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.132 13.152 -9.285 1.00 0.00 C ATOM 1412 C GLU A 86 -10.807 11.657 -9.279 1.00 0.00 C ATOM 1413 O GLU A 86 -9.880 11.217 -9.957 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.278 13.903 -8.262 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.411 15.416 -8.441 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.056 16.052 -8.759 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.728 16.118 -9.963 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.378 16.457 -7.790 1.00 0.00 O ATOM 0 H GLU A 86 -12.815 13.333 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.894 13.551 -10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.584 13.624 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.233 13.611 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.115 15.630 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.820 15.859 -7.533 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.589 10.917 -8.507 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.396 9.480 -8.404 1.00 0.00 C ATOM 1427 C PHE A 87 -11.165 8.858 -9.783 1.00 0.00 C ATOM 1428 O PHE A 87 -10.163 8.178 -10.002 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.677 8.898 -7.804 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.753 9.003 -6.279 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.851 9.765 -5.604 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.723 8.334 -5.599 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -11.922 9.863 -4.189 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.793 8.432 -4.184 1.00 0.00 C ATOM 1435 CZ PHE A 87 -12.891 9.194 -3.509 1.00 0.00 C ATOM 0 H PHE A 87 -12.358 11.285 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.524 9.265 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.535 9.412 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.756 7.849 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.081 10.296 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.439 7.729 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.206 10.469 -3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.563 7.901 -3.644 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.944 9.268 -2.433 1.00 0.00 H new ATOM 1445 N ARG A 88 -12.109 9.113 -10.678 1.00 0.00 N ATOM 1446 CA ARG A 88 -12.021 8.586 -12.029 1.00 0.00 C ATOM 1447 C ARG A 88 -10.609 8.785 -12.585 1.00 0.00 C ATOM 1448 O ARG A 88 -9.977 7.833 -13.038 1.00 0.00 O ATOM 1449 CB ARG A 88 -13.028 9.273 -12.954 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.662 9.051 -14.423 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.867 9.305 -15.332 1.00 0.00 C ATOM 1452 NE ARG A 88 -13.843 8.368 -16.478 1.00 0.00 N ATOM 1453 CZ ARG A 88 -14.911 8.076 -17.232 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -16.095 8.645 -16.965 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -14.796 7.214 -18.252 1.00 0.00 N ATOM 0 H ARG A 88 -12.938 9.678 -10.494 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.252 7.522 -11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.028 8.884 -12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.055 10.341 -12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.844 9.716 -14.702 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.305 8.031 -14.563 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.791 9.179 -14.768 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.851 10.334 -15.692 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.958 7.916 -16.708 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.182 9.300 -16.188 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.909 8.423 -17.539 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.895 6.780 -18.454 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.609 6.992 -18.826 1.00 0.00 H new ATOM 1469 N GLU A 89 -10.157 10.030 -12.534 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.833 10.366 -13.027 1.00 0.00 C ATOM 1471 C GLU A 89 -7.800 10.236 -11.905 1.00 0.00 C ATOM 1472 O GLU A 89 -6.789 10.936 -11.904 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.812 11.771 -13.631 1.00 0.00 C ATOM 1474 CG GLU A 89 -9.999 11.980 -14.574 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.394 13.456 -14.640 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.693 14.200 -15.359 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.389 13.808 -13.969 1.00 0.00 O ATOM 0 H GLU A 89 -10.685 10.818 -12.159 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.573 9.663 -13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.841 12.514 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.880 11.923 -14.175 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.742 11.624 -15.572 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.848 11.388 -14.232 1.00 0.00 H new ATOM 1484 N ARG A 90 -8.091 9.336 -10.977 1.00 0.00 N ATOM 1485 CA ARG A 90 -7.200 9.106 -9.853 1.00 0.00 C ATOM 1486 C ARG A 90 -7.164 7.617 -9.501 1.00 0.00 C ATOM 1487 O ARG A 90 -8.186 6.935 -9.563 1.00 0.00 O ATOM 1488 CB ARG A 90 -7.646 9.902 -8.625 1.00 0.00 C ATOM 1489 CG ARG A 90 -7.082 11.324 -8.659 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.872 11.865 -7.244 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.505 12.417 -7.110 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.080 13.122 -6.054 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -5.912 13.366 -5.032 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -3.822 13.584 -6.018 1.00 0.00 N ATOM 0 H ARG A 90 -8.931 8.758 -10.981 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.204 9.439 -10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.735 9.940 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.313 9.396 -7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.135 11.331 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.764 11.977 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.608 12.639 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.025 11.069 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.845 12.250 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.869 13.015 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.588 13.903 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.188 13.399 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.499 14.121 -5.213 1.00 0.00 H new ATOM 1508 N MET A 91 -5.976 7.156 -9.138 1.00 0.00 N ATOM 1509 CA MET A 91 -5.793 5.761 -8.776 1.00 0.00 C ATOM 1510 C MET A 91 -4.632 5.598 -7.793 1.00 0.00 C ATOM 1511 O MET A 91 -3.567 6.184 -7.981 1.00 0.00 O ATOM 1512 CB MET A 91 -5.514 4.939 -10.036 1.00 0.00 C ATOM 1513 CG MET A 91 -4.500 3.828 -9.753 1.00 0.00 C ATOM 1514 SD MET A 91 -4.583 2.586 -11.032 1.00 0.00 S ATOM 1515 CE MET A 91 -5.015 1.159 -10.051 1.00 0.00 C ATOM 0 H MET A 91 -5.130 7.724 -9.087 1.00 0.00 H new ATOM 0 HA MET A 91 -6.705 5.407 -8.295 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.443 4.503 -10.403 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.135 5.591 -10.823 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.494 4.246 -9.705 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.704 3.376 -8.782 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.917 0.258 -10.657 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.348 1.093 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.044 1.254 -9.705 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.876 4.797 -6.766 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.865 4.549 -5.753 1.00 0.00 C ATOM 1527 C LEU A 92 -3.058 3.308 -6.137 1.00 0.00 C ATOM 1528 O LEU A 92 -3.629 2.270 -6.469 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.505 4.461 -4.366 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.717 5.790 -3.639 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -6.043 5.792 -2.875 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.530 6.112 -2.729 1.00 0.00 C ATOM 0 H LEU A 92 -5.760 4.311 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.165 5.383 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.471 3.965 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.881 3.823 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.775 6.582 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.169 6.748 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.866 5.641 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.040 4.988 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.706 7.062 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.416 5.322 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.621 6.182 -3.327 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.742 3.455 -6.081 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.851 2.359 -6.419 1.00 0.00 C ATOM 1546 C GLU A 93 -0.049 1.927 -5.190 1.00 0.00 C ATOM 1547 O GLU A 93 0.960 2.546 -4.854 1.00 0.00 O ATOM 1548 CB GLU A 93 0.078 2.744 -7.572 1.00 0.00 C ATOM 1549 CG GLU A 93 1.188 1.706 -7.752 1.00 0.00 C ATOM 1550 CD GLU A 93 1.842 1.835 -9.129 1.00 0.00 C ATOM 1551 OE1 GLU A 93 2.154 2.986 -9.504 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.016 0.780 -9.776 1.00 0.00 O ATOM 0 H GLU A 93 -1.272 4.317 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.456 1.514 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.497 2.830 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.518 3.722 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.941 1.835 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.776 0.704 -7.634 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.528 0.870 -4.552 1.00 0.00 N ATOM 1560 CA ILE A 94 0.131 0.348 -3.366 1.00 0.00 C ATOM 1561 C ILE A 94 1.132 -0.733 -3.779 1.00 0.00 C ATOM 1562 O ILE A 94 0.894 -1.472 -4.734 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.902 -0.127 -2.344 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -1.995 0.924 -2.138 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.230 -0.520 -1.027 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.019 0.880 -3.275 1.00 0.00 C ATOM 0 H ILE A 94 -1.365 0.360 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 94 0.698 1.134 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.385 -1.021 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.496 0.751 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.546 1.916 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.987 -0.854 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.480 -1.327 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.297 0.341 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.785 1.637 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.519 1.077 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.484 -0.105 -3.308 1.00 0.00 H new ATOM 1578 N THR A 95 2.229 -0.793 -3.039 1.00 0.00 N ATOM 1579 CA THR A 95 3.266 -1.772 -3.315 1.00 0.00 C ATOM 1580 C THR A 95 3.899 -2.262 -2.011 1.00 0.00 C ATOM 1581 O THR A 95 4.119 -1.476 -1.091 1.00 0.00 O ATOM 1582 CB THR A 95 4.272 -1.137 -4.278 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.221 0.253 -3.965 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.812 -1.208 -5.735 1.00 0.00 C ATOM 0 H THR A 95 2.422 -0.179 -2.248 1.00 0.00 H new ATOM 0 HA THR A 95 2.853 -2.661 -3.793 1.00 0.00 H new ATOM 0 HB THR A 95 5.236 -1.635 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.845 0.741 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.561 -0.744 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.682 -2.251 -6.025 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.864 -0.680 -5.844 1.00 0.00 H new ATOM 1592 N LEU A 96 4.173 -3.557 -1.974 1.00 0.00 N ATOM 1593 CA LEU A 96 4.776 -4.161 -0.798 1.00 0.00 C ATOM 1594 C LEU A 96 6.182 -4.655 -1.147 1.00 0.00 C ATOM 1595 O LEU A 96 6.387 -5.262 -2.197 1.00 0.00 O ATOM 1596 CB LEU A 96 3.866 -5.251 -0.229 1.00 0.00 C ATOM 1597 CG LEU A 96 4.249 -5.792 1.150 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.219 -4.682 2.203 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.362 -6.976 1.541 1.00 0.00 C ATOM 0 H LEU A 96 3.989 -4.205 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 96 4.885 -3.422 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.851 -4.857 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.847 -6.084 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 96 5.274 -6.160 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.495 -5.094 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.925 -3.899 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.215 -4.261 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.656 -7.341 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.320 -6.657 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.478 -7.775 0.808 1.00 0.00 H new ATOM 1611 N TRP A 97 7.113 -4.376 -0.247 1.00 0.00 N ATOM 1612 CA TRP A 97 8.493 -4.783 -0.447 1.00 0.00 C ATOM 1613 C TRP A 97 9.066 -5.194 0.911 1.00 0.00 C ATOM 1614 O TRP A 97 8.477 -4.904 1.951 1.00 0.00 O ATOM 1615 CB TRP A 97 9.300 -3.675 -1.126 1.00 0.00 C ATOM 1616 CG TRP A 97 8.459 -2.734 -1.991 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.500 -1.885 -1.595 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.541 -2.579 -3.423 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.961 -1.198 -2.663 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.614 -1.633 -3.810 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.372 -3.217 -4.361 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.429 -1.241 -5.141 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.175 -2.814 -5.687 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.246 -1.863 -6.093 1.00 0.00 C ATOM 0 H TRP A 97 6.939 -3.873 0.623 1.00 0.00 H new ATOM 0 HA TRP A 97 8.549 -5.637 -1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.810 -3.090 -0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.072 -4.130 -1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.189 -1.755 -0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.219 -0.499 -2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.104 -3.959 -4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.695 -0.499 -5.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.788 -3.274 -6.448 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.155 -1.605 -7.138 1.00 0.00 H new ATOM 1635 N ASP A 98 10.208 -5.863 0.857 1.00 0.00 N ATOM 1636 CA ASP A 98 10.868 -6.317 2.070 1.00 0.00 C ATOM 1637 C ASP A 98 12.268 -5.705 2.144 1.00 0.00 C ATOM 1638 O ASP A 98 13.174 -6.132 1.429 1.00 0.00 O ATOM 1639 CB ASP A 98 11.016 -7.840 2.080 1.00 0.00 C ATOM 1640 CG ASP A 98 12.096 -8.378 3.020 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.288 -7.750 4.084 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.707 -9.405 2.653 1.00 0.00 O ATOM 0 H ASP A 98 10.694 -6.102 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 98 10.260 -6.008 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.059 -8.281 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.237 -8.175 1.067 1.00 0.00 H new ATOM 1647 N GLN A 99 12.402 -4.715 3.014 1.00 0.00 N ATOM 1648 CA GLN A 99 13.677 -4.041 3.190 1.00 0.00 C ATOM 1649 C GLN A 99 14.826 -5.046 3.101 1.00 0.00 C ATOM 1650 O GLN A 99 15.002 -5.874 3.994 1.00 0.00 O ATOM 1651 CB GLN A 99 13.716 -3.279 4.516 1.00 0.00 C ATOM 1652 CG GLN A 99 14.306 -1.880 4.328 1.00 0.00 C ATOM 1653 CD GLN A 99 15.655 -1.753 5.038 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.478 -2.653 5.027 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.834 -0.589 5.656 1.00 0.00 N ATOM 0 H GLN A 99 11.649 -4.363 3.605 1.00 0.00 H new ATOM 0 HA GLN A 99 13.795 -3.313 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.708 -3.201 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.311 -3.834 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.430 -1.674 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.614 -1.134 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.103 0.122 5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.702 -0.407 6.160 1.00 0.00 H new ATOM 1809 N PHE A 109 10.632 -6.848 -3.869 1.00 0.00 N ATOM 1810 CA PHE A 109 9.282 -6.565 -4.328 1.00 0.00 C ATOM 1811 C PHE A 109 8.368 -7.774 -4.122 1.00 0.00 C ATOM 1812 O PHE A 109 8.406 -8.726 -4.900 1.00 0.00 O ATOM 1813 CB PHE A 109 9.373 -6.259 -5.824 1.00 0.00 C ATOM 1814 CG PHE A 109 8.016 -6.073 -6.505 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.159 -5.114 -6.062 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.666 -6.866 -7.553 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.899 -4.942 -6.694 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.406 -6.693 -8.185 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.549 -5.735 -7.742 1.00 0.00 C ATOM 0 HA PHE A 109 8.866 -5.729 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.965 -5.355 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.908 -7.070 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.437 -4.484 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.346 -7.627 -7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.218 -4.181 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.129 -7.322 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.591 -5.604 -8.222 1.00 0.00 H new ATOM 1829 N LEU A 110 7.568 -7.698 -3.068 1.00 0.00 N ATOM 1830 CA LEU A 110 6.645 -8.774 -2.750 1.00 0.00 C ATOM 1831 C LEU A 110 5.496 -8.771 -3.760 1.00 0.00 C ATOM 1832 O LEU A 110 4.971 -9.826 -4.112 1.00 0.00 O ATOM 1833 CB LEU A 110 6.185 -8.673 -1.294 1.00 0.00 C ATOM 1834 CG LEU A 110 7.252 -8.945 -0.233 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.725 -8.631 1.169 1.00 0.00 C ATOM 1836 CD2 LEU A 110 7.778 -10.378 -0.339 1.00 0.00 C ATOM 0 H LEU A 110 7.540 -6.908 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 110 7.142 -9.740 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.784 -7.673 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.364 -9.374 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 110 8.094 -8.278 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.504 -8.833 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.439 -7.581 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.857 -9.255 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.535 -10.545 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.956 -11.079 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.218 -10.532 -1.324 1.00 0.00 H new ATOM 1848 N GLY A 111 5.139 -7.573 -4.198 1.00 0.00 N ATOM 1849 CA GLY A 111 4.061 -7.418 -5.160 1.00 0.00 C ATOM 1850 C GLY A 111 3.522 -5.986 -5.155 1.00 0.00 C ATOM 1851 O GLY A 111 4.017 -5.136 -4.416 1.00 0.00 O ATOM 0 H GLY A 111 5.577 -6.700 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.420 -7.672 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.256 -8.114 -4.924 1.00 0.00 H new ATOM 1855 N GLU A 112 2.515 -5.764 -5.986 1.00 0.00 N ATOM 1856 CA GLU A 112 1.903 -4.450 -6.086 1.00 0.00 C ATOM 1857 C GLU A 112 0.381 -4.577 -6.159 1.00 0.00 C ATOM 1858 O GLU A 112 -0.141 -5.433 -6.872 1.00 0.00 O ATOM 1859 CB GLU A 112 2.448 -3.682 -7.293 1.00 0.00 C ATOM 1860 CG GLU A 112 1.807 -4.176 -8.591 1.00 0.00 C ATOM 1861 CD GLU A 112 2.793 -4.086 -9.758 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.269 -2.959 -10.013 1.00 0.00 O ATOM 1863 OE2 GLU A 112 3.048 -5.146 -10.369 1.00 0.00 O ATOM 0 H GLU A 112 2.107 -6.472 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 112 2.158 -3.883 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.253 -2.617 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.530 -3.804 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.477 -5.207 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.921 -3.582 -8.812 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.290 -3.712 -5.412 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.743 -3.718 -5.383 1.00 0.00 C ATOM 1872 C ILE A 113 -2.265 -2.412 -5.986 1.00 0.00 C ATOM 1873 O ILE A 113 -2.090 -1.342 -5.406 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.249 -3.986 -3.965 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.728 -5.325 -3.440 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.776 -3.900 -3.902 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.167 -5.556 -1.993 1.00 0.00 C ATOM 0 H ILE A 113 0.146 -3.003 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.134 -4.531 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.855 -3.209 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.097 -6.135 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.640 -5.345 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.110 -4.095 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.097 -2.903 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.210 -4.641 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.783 -6.515 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.776 -4.758 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.256 -5.560 -1.939 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.897 -2.543 -7.144 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.446 -1.387 -7.832 1.00 0.00 C ATOM 1891 C LEU A 114 -4.926 -1.241 -7.472 1.00 0.00 C ATOM 1892 O LEU A 114 -5.673 -2.217 -7.494 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.185 -1.485 -9.336 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.875 -0.869 -9.831 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.132 0.452 -10.560 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.877 -0.706 -8.683 1.00 0.00 C ATOM 0 H LEU A 114 -3.041 -3.432 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.946 -0.475 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.198 -2.538 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.011 -1.004 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.427 -1.553 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.185 0.869 -10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.781 0.274 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.614 1.155 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.045 -0.266 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.303 -0.054 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.661 -1.682 -8.247 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.305 -0.013 -7.150 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.682 0.274 -6.786 1.00 0.00 C ATOM 1910 C ILE A 115 -7.096 1.617 -7.391 1.00 0.00 C ATOM 1911 O ILE A 115 -6.291 2.545 -7.461 1.00 0.00 O ATOM 1912 CB ILE A 115 -6.862 0.203 -5.268 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -7.035 -1.245 -4.805 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.018 1.094 -4.810 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.155 -1.541 -3.589 1.00 0.00 C ATOM 0 H ILE A 115 -4.682 0.795 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.350 -0.482 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 115 -5.956 0.586 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.080 -1.428 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.778 -1.924 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.124 1.025 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -7.813 2.128 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.942 0.765 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.297 -2.577 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.109 -1.380 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.431 -0.877 -2.770 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.350 1.679 -7.813 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.880 2.893 -8.411 1.00 0.00 C ATOM 1929 C GLU A 116 -9.896 3.547 -7.471 1.00 0.00 C ATOM 1930 O GLU A 116 -10.700 2.859 -6.845 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.504 2.604 -9.777 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.525 1.849 -10.679 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.744 2.210 -12.149 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.115 3.378 -12.398 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.535 1.311 -12.992 1.00 0.00 O ATOM 0 H GLU A 116 -9.015 0.908 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.056 3.589 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.413 2.016 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.795 3.540 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.501 2.088 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.653 0.775 -10.542 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.825 4.868 -7.403 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.728 5.622 -6.550 1.00 0.00 C ATOM 1944 C LEU A 117 -12.098 5.717 -7.224 1.00 0.00 C ATOM 1945 O LEU A 117 -13.092 6.043 -6.576 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.121 6.982 -6.197 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.753 6.948 -5.513 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -7.695 6.337 -6.434 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.351 8.340 -5.023 1.00 0.00 C ATOM 0 H LEU A 117 -9.157 5.435 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.874 5.107 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.033 7.567 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.818 7.511 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.825 6.306 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.732 6.325 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.982 5.318 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.616 6.933 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.375 8.288 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.301 9.024 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.090 8.702 -4.308 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.108 5.427 -8.517 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.340 5.475 -9.285 1.00 0.00 C ATOM 1963 C GLU A 118 -14.383 4.537 -8.676 1.00 0.00 C ATOM 1964 O GLU A 118 -15.570 4.859 -8.643 1.00 0.00 O ATOM 1965 CB GLU A 118 -13.084 5.130 -10.754 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.238 5.607 -11.638 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.002 5.226 -13.101 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -13.925 4.006 -13.364 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -13.903 6.162 -13.923 1.00 0.00 O ATOM 0 H GLU A 118 -11.282 5.158 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.729 6.492 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.154 5.593 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.960 4.053 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.173 5.167 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.343 6.689 -11.553 1.00 0.00 H new ATOM 1976 N THR A 119 -13.903 3.394 -8.208 1.00 0.00 N ATOM 1977 CA THR A 119 -14.780 2.406 -7.602 1.00 0.00 C ATOM 1978 C THR A 119 -14.172 1.882 -6.299 1.00 0.00 C ATOM 1979 O THR A 119 -14.663 0.910 -5.727 1.00 0.00 O ATOM 1980 CB THR A 119 -15.041 1.308 -8.634 1.00 0.00 C ATOM 1981 OG1 THR A 119 -13.756 0.738 -8.869 1.00 0.00 O ATOM 1982 CG2 THR A 119 -15.453 1.871 -9.996 1.00 0.00 C ATOM 0 H THR A 119 -12.918 3.130 -8.236 1.00 0.00 H new ATOM 0 HA THR A 119 -15.738 2.845 -7.325 1.00 0.00 H new ATOM 0 HB THR A 119 -15.821 0.642 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.834 0.015 -9.526 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.626 1.050 -10.692 1.00 0.00 H new ATOM 0 HG22 THR A 119 -16.368 2.454 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.659 2.511 -10.380 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.112 2.551 -5.867 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.432 2.165 -4.642 1.00 0.00 C ATOM 1992 C ALA A 120 -13.471 1.774 -3.589 1.00 0.00 C ATOM 1993 O ALA A 120 -14.483 2.455 -3.427 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.531 3.310 -4.176 1.00 0.00 C ATOM 0 H ALA A 120 -12.708 3.357 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.794 1.298 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.021 3.021 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.793 3.529 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.137 4.197 -3.991 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.185 0.680 -2.899 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.082 0.191 -1.866 1.00 0.00 C ATOM 2002 C LEU A 121 -13.985 1.101 -0.640 1.00 0.00 C ATOM 2003 O LEU A 121 -13.201 0.840 0.271 1.00 0.00 O ATOM 2004 CB LEU A 121 -13.797 -1.282 -1.562 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.109 -2.271 -2.687 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.681 -3.689 -2.305 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -15.586 -2.205 -3.081 1.00 0.00 C ATOM 0 H LEU A 121 -12.345 0.118 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.115 0.228 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -12.744 -1.381 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -14.373 -1.569 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.528 -1.985 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.914 -4.372 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.608 -3.706 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.215 -4.001 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -15.781 -2.918 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.204 -2.452 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.826 -1.199 -3.424 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.793 2.151 -0.657 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.808 3.101 0.442 1.00 0.00 C ATOM 2021 C LEU A 122 -15.968 2.768 1.383 1.00 0.00 C ATOM 2022 O LEU A 122 -17.004 3.431 1.356 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.840 4.535 -0.090 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.690 4.933 -1.017 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.984 6.260 -1.718 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.362 4.968 -0.258 1.00 0.00 C ATOM 0 H LEU A 122 -15.442 2.365 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.891 3.022 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.779 4.682 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.847 5.217 0.760 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.598 4.173 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.150 6.519 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.893 6.164 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.118 7.044 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.561 5.254 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.425 5.694 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -12.153 3.981 0.155 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.755 1.741 2.193 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.769 1.312 3.140 1.00 0.00 C ATOM 2040 C ASP A 123 -16.184 1.337 4.554 1.00 0.00 C ATOM 2041 O ASP A 123 -16.854 0.959 5.513 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.230 -0.116 2.844 1.00 0.00 C ATOM 2043 CG ASP A 123 -18.745 -0.293 2.715 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.441 0.042 3.698 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.172 -0.760 1.637 1.00 0.00 O ATOM 0 H ASP A 123 -14.895 1.194 2.213 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.618 1.990 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -16.760 -0.449 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -16.869 -0.770 3.638 1.00 0.00 H new ATOM 2050 N ASP A 124 -14.940 1.785 4.637 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.257 1.864 5.917 1.00 0.00 C ATOM 2052 C ASP A 124 -14.142 0.460 6.516 1.00 0.00 C ATOM 2053 O ASP A 124 -14.058 0.306 7.733 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.035 2.736 6.904 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.403 2.866 8.291 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.209 3.233 8.338 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -15.127 2.595 9.273 1.00 0.00 O ATOM 0 H ASP A 124 -14.387 2.097 3.839 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.273 2.301 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.145 3.733 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -16.038 2.325 7.016 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.142 -0.527 5.632 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.039 -1.912 6.059 1.00 0.00 C ATOM 2064 C GLU A 125 -12.742 -2.533 5.535 1.00 0.00 C ATOM 2065 O GLU A 125 -12.239 -2.136 4.485 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.256 -2.719 5.603 1.00 0.00 C ATOM 2067 CG GLU A 125 -15.036 -3.301 4.205 1.00 0.00 C ATOM 2068 CD GLU A 125 -16.314 -3.213 3.367 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.338 -3.753 3.836 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -16.236 -2.608 2.276 1.00 0.00 O ATOM 0 H GLU A 125 -14.212 -0.395 4.623 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.017 -1.935 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.448 -3.526 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.140 -2.081 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -14.231 -2.762 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -14.721 -4.341 4.286 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.225 -3.524 6.310 1.00 0.00 N ATOM 2078 CA PRO A 126 -10.997 -4.204 5.935 1.00 0.00 C ATOM 2079 C PRO A 126 -11.242 -5.184 4.785 1.00 0.00 C ATOM 2080 O PRO A 126 -12.062 -6.093 4.903 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.522 -4.887 7.206 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.733 -4.953 8.122 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.794 -4.022 7.559 1.00 0.00 C ATOM 0 HA PRO A 126 -10.236 -3.521 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.139 -5.885 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.711 -4.326 7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.112 -5.973 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.462 -4.655 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.732 -4.550 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.011 -3.206 8.248 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.515 -4.965 3.699 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.643 -5.818 2.529 1.00 0.00 C ATOM 2093 C HIS A 127 -9.267 -6.358 2.135 1.00 0.00 C ATOM 2094 O HIS A 127 -8.301 -5.601 2.044 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.336 -5.072 1.387 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.791 -5.438 1.209 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.826 -4.622 1.632 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.371 -6.538 0.650 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.973 -5.215 1.336 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.689 -6.403 0.728 1.00 0.00 N ATOM 0 H HIS A 127 -9.836 -4.210 3.605 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.277 -6.673 2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.261 -4.000 1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.804 -5.276 0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -12.847 -7.377 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.960 -4.826 1.540 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.376 -7.076 0.389 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.221 -7.663 1.911 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.979 -8.313 1.529 1.00 0.00 C ATOM 2110 C TRP A 128 -7.806 -8.151 0.017 1.00 0.00 C ATOM 2111 O TRP A 128 -8.764 -8.296 -0.740 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.965 -9.776 1.978 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.805 -9.962 3.488 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.743 -10.306 4.381 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.591 -9.798 4.250 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.224 -10.376 5.658 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.874 -10.057 5.576 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.296 -9.442 3.834 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.914 -9.988 6.592 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.348 -9.378 4.862 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.617 -9.636 6.201 1.00 0.00 C ATOM 0 H TRP A 128 -10.024 -8.288 1.987 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.130 -7.846 2.029 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.893 -10.252 1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.151 -10.293 1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.775 -10.504 4.133 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.737 -10.617 6.506 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.052 -9.234 2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.161 -10.195 7.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.336 -9.109 4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.829 -9.565 6.936 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.577 -7.851 -0.377 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.266 -7.666 -1.784 1.00 0.00 C ATOM 2134 C TYR A 129 -5.014 -8.453 -2.177 1.00 0.00 C ATOM 2135 O TYR A 129 -3.946 -8.256 -1.600 1.00 0.00 O ATOM 2136 CB TYR A 129 -5.992 -6.172 -1.963 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.162 -5.272 -1.562 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.336 -5.302 -2.287 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.043 -4.430 -0.475 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.437 -4.454 -1.909 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.145 -3.583 -0.097 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.287 -3.637 -0.833 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.327 -2.836 -0.476 1.00 0.00 O ATOM 0 H TYR A 129 -5.785 -7.731 0.254 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.088 -8.018 -2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.118 -5.900 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.742 -5.982 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.429 -5.961 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.124 -4.406 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.361 -4.467 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -8.066 -2.920 0.752 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.078 -2.308 0.311 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.188 -9.329 -3.156 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.085 -10.147 -3.632 1.00 0.00 C ATOM 2155 C LYS A 130 -3.009 -9.243 -4.237 1.00 0.00 C ATOM 2156 O LYS A 130 -3.307 -8.145 -4.705 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.593 -11.224 -4.592 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.784 -12.559 -3.868 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.215 -12.699 -3.345 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.831 -14.029 -3.783 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.040 -14.046 -5.248 1.00 0.00 N ATOM 0 H LYS A 130 -6.075 -9.490 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.623 -10.683 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.538 -10.907 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.885 -11.349 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.559 -13.381 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.081 -12.631 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.216 -12.634 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.823 -11.873 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.178 -14.852 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.782 -14.182 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -7.756 -14.761 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.366 -13.110 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.145 -14.279 -5.724 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.781 -9.737 -4.208 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.659 -8.988 -4.747 1.00 0.00 C ATOM 2177 C LEU A 131 -0.470 -9.351 -6.221 1.00 0.00 C ATOM 2178 O LEU A 131 -0.935 -10.397 -6.671 1.00 0.00 O ATOM 2179 CB LEU A 131 0.592 -9.208 -3.894 1.00 0.00 C ATOM 2180 CG LEU A 131 0.489 -8.778 -2.429 1.00 0.00 C ATOM 2181 CD1 LEU A 131 1.233 -7.463 -2.190 1.00 0.00 C ATOM 2182 CD2 LEU A 131 -0.972 -8.701 -1.982 1.00 0.00 C ATOM 0 H LEU A 131 -1.538 -10.648 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 131 -0.861 -7.918 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.846 -10.267 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.420 -8.668 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 131 0.973 -9.537 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.144 -7.180 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.286 -7.589 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.800 -6.681 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.017 -8.393 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.503 -7.975 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.438 -9.680 -2.092 1.00 0.00 H new ATOM 2194 N GLN A 132 0.215 -8.467 -6.932 1.00 0.00 N ATOM 2195 CA GLN A 132 0.471 -8.681 -8.346 1.00 0.00 C ATOM 2196 C GLN A 132 1.964 -8.529 -8.644 1.00 0.00 C ATOM 2197 O GLN A 132 2.516 -7.437 -8.524 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.360 -7.726 -9.205 1.00 0.00 C ATOM 2199 CG GLN A 132 -1.855 -7.905 -8.935 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.457 -8.962 -9.863 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.080 -9.102 -11.015 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -3.412 -9.696 -9.299 1.00 0.00 N ATOM 0 H GLN A 132 0.600 -7.601 -6.555 1.00 0.00 H new ATOM 0 HA GLN A 132 0.172 -9.698 -8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.070 -6.697 -8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -0.153 -7.907 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.008 -8.198 -7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.370 -6.955 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.680 -9.527 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -3.877 -10.428 -9.836 1.00 0.00 H new