USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 645 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 90 SER OG : rot -80:sc= 0.598 USER MOD Set 1.2: A 92 HIS :FLIP no HE2:sc= -2.11 F(o=-4!,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0.0139 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.1) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 33 SER OG : rot -9:sc= 0.293! USER MOD Single : A 40 HIS : no HE2:sc= -0.0378 X(o=-0.038,f=-0.12) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.631) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -72:sc= 0.178 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0.174 (180deg=0.0883) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -22:sc= 0.305 USER MOD Single : A 62 MET CE :methyl -128:sc= -0.826 (180deg=-1.43) USER MOD Single : A 64 MET CE :methyl 157:sc= -0.366 (180deg=-1.24) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 177:sc= -2.01! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.915 USER MOD Single : A 85 SER OG : rot -130:sc= -1.71! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 53:sc= 0.971 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.487 20.249 -1.793 1.00 0.00 N ATOM 81 CA ALA A 9 4.785 18.824 -1.856 1.00 0.00 C ATOM 82 C ALA A 9 3.513 18.005 -2.049 1.00 0.00 C ATOM 83 O ALA A 9 3.314 16.986 -1.389 1.00 0.00 O ATOM 84 CB ALA A 9 5.514 18.381 -0.596 1.00 0.00 C ATOM 0 HA ALA A 9 5.431 18.651 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.730 17.314 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.448 18.936 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.887 18.575 0.274 1.00 0.00 H new ATOM 90 N ALA A 10 2.655 18.459 -2.957 1.00 0.00 N ATOM 91 CA ALA A 10 1.403 17.767 -3.237 1.00 0.00 C ATOM 92 C ALA A 10 1.653 16.461 -3.984 1.00 0.00 C ATOM 93 O ALA A 10 2.767 16.198 -4.438 1.00 0.00 O ATOM 94 CB ALA A 10 0.472 18.665 -4.038 1.00 0.00 C ATOM 0 H ALA A 10 2.804 19.302 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 10 0.929 17.526 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.459 18.136 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.259 19.569 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.948 18.934 -4.981 1.00 0.00 H new ATOM 100 N ILE A 11 0.610 15.646 -4.106 1.00 0.00 N ATOM 101 CA ILE A 11 0.717 14.368 -4.798 1.00 0.00 C ATOM 102 C ILE A 11 0.240 14.482 -6.242 1.00 0.00 C ATOM 103 O ILE A 11 -0.959 14.589 -6.503 1.00 0.00 O ATOM 104 CB ILE A 11 -0.097 13.272 -4.085 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.368 13.123 -2.635 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.032 11.950 -4.827 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.587 12.328 -1.773 1.00 0.00 C ATOM 0 H ILE A 11 -0.318 15.848 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 11 1.771 14.091 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.147 13.564 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.344 12.639 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.498 14.114 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.549 11.185 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.342 12.066 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.080 11.651 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.193 12.263 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.558 12.823 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.699 11.325 -2.184 1.00 0.00 H new ATOM 119 N ILE A 12 1.184 14.458 -7.175 1.00 0.00 N ATOM 120 CA ILE A 12 0.860 14.556 -8.593 1.00 0.00 C ATOM 121 C ILE A 12 0.395 13.212 -9.145 1.00 0.00 C ATOM 122 O ILE A 12 -0.509 13.149 -9.978 1.00 0.00 O ATOM 123 CB ILE A 12 2.066 15.046 -9.415 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.368 14.500 -8.825 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.095 16.567 -9.458 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.981 15.402 -7.775 1.00 0.00 C ATOM 0 H ILE A 12 2.180 14.371 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 12 0.052 15.282 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 12 1.967 14.675 -10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.176 13.522 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.088 14.351 -9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.953 16.898 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.178 16.936 -9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.174 16.958 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.901 14.952 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.205 16.373 -8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.279 15.531 -6.951 1.00 0.00 H new ATOM 138 N LYS A 13 1.020 12.138 -8.674 1.00 0.00 N ATOM 139 CA LYS A 13 0.670 10.793 -9.116 1.00 0.00 C ATOM 140 C LYS A 13 -0.113 10.052 -8.037 1.00 0.00 C ATOM 141 O LYS A 13 0.456 9.428 -7.142 1.00 0.00 O ATOM 142 CB LYS A 13 1.933 10.008 -9.476 1.00 0.00 C ATOM 143 CG LYS A 13 2.716 10.611 -10.629 1.00 0.00 C ATOM 144 CD LYS A 13 3.766 9.646 -11.155 1.00 0.00 C ATOM 145 CE LYS A 13 4.336 10.114 -12.485 1.00 0.00 C ATOM 146 NZ LYS A 13 5.654 9.483 -12.776 1.00 0.00 N ATOM 0 H LYS A 13 1.772 12.173 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 13 0.040 10.880 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.578 9.952 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.655 8.986 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.032 10.880 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.199 11.531 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.571 9.550 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.325 8.656 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.635 9.876 -13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.447 11.198 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.148 10.032 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.229 9.466 -11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.506 8.510 -13.113 1.00 0.00 H new ATOM 160 N PRO A 14 -1.450 10.119 -8.123 1.00 0.00 N ATOM 161 CA PRO A 14 -2.339 9.458 -7.163 1.00 0.00 C ATOM 162 C PRO A 14 -2.309 7.939 -7.296 1.00 0.00 C ATOM 163 O PRO A 14 -1.978 7.404 -8.356 1.00 0.00 O ATOM 164 CB PRO A 14 -3.723 9.999 -7.531 1.00 0.00 C ATOM 165 CG PRO A 14 -3.612 10.378 -8.967 1.00 0.00 C ATOM 166 CD PRO A 14 -2.197 10.845 -9.165 1.00 0.00 C ATOM 0 HA PRO A 14 -2.047 9.659 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.496 9.245 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.989 10.858 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.837 9.529 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.322 11.166 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.831 10.605 -10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.109 11.925 -9.044 1.00 0.00 H new ATOM 174 N LEU A 15 -2.655 7.248 -6.216 1.00 0.00 N ATOM 175 CA LEU A 15 -2.668 5.789 -6.212 1.00 0.00 C ATOM 176 C LEU A 15 -3.673 5.251 -7.225 1.00 0.00 C ATOM 177 O LEU A 15 -4.387 6.016 -7.872 1.00 0.00 O ATOM 178 CB LEU A 15 -3.006 5.267 -4.814 1.00 0.00 C ATOM 179 CG LEU A 15 -2.063 5.698 -3.690 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.758 5.593 -2.341 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.794 4.859 -3.706 1.00 0.00 C ATOM 0 H LEU A 15 -2.930 7.674 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.674 5.440 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.014 5.594 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.023 4.178 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.787 6.740 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.072 5.904 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.636 6.239 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.065 4.561 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.135 5.180 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.051 3.809 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.286 4.986 -4.662 1.00 0.00 H new ATOM 193 N GLU A 16 -3.723 3.929 -7.356 1.00 0.00 N ATOM 194 CA GLU A 16 -4.641 3.289 -8.290 1.00 0.00 C ATOM 195 C GLU A 16 -5.167 1.974 -7.721 1.00 0.00 C ATOM 196 O GLU A 16 -4.598 1.421 -6.780 1.00 0.00 O ATOM 197 CB GLU A 16 -3.948 3.036 -9.630 1.00 0.00 C ATOM 198 CG GLU A 16 -3.697 4.301 -10.434 1.00 0.00 C ATOM 199 CD GLU A 16 -3.173 4.013 -11.827 1.00 0.00 C ATOM 200 OE1 GLU A 16 -2.036 3.509 -11.940 1.00 0.00 O ATOM 201 OE2 GLU A 16 -3.899 4.290 -12.804 1.00 0.00 O ATOM 0 H GLU A 16 -3.139 3.281 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.485 3.961 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.997 2.536 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.559 2.354 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.624 4.869 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.981 4.928 -9.903 1.00 0.00 H new ATOM 208 N ASP A 17 -6.257 1.481 -8.299 1.00 0.00 N ATOM 209 CA ASP A 17 -6.861 0.231 -7.850 1.00 0.00 C ATOM 210 C ASP A 17 -5.934 -0.949 -8.126 1.00 0.00 C ATOM 211 O ASP A 17 -5.475 -1.141 -9.252 1.00 0.00 O ATOM 212 CB ASP A 17 -8.206 0.012 -8.544 1.00 0.00 C ATOM 213 CG ASP A 17 -8.963 1.307 -8.762 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.454 2.174 -9.502 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.064 1.454 -8.191 1.00 0.00 O ATOM 0 H ASP A 17 -6.740 1.927 -9.079 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.023 0.299 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.041 -0.475 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.815 -0.665 -7.945 1.00 0.00 H new ATOM 220 N GLN A 18 -5.663 -1.736 -7.089 1.00 0.00 N ATOM 221 CA GLN A 18 -4.789 -2.896 -7.220 1.00 0.00 C ATOM 222 C GLN A 18 -5.601 -4.186 -7.271 1.00 0.00 C ATOM 223 O GLN A 18 -6.678 -4.277 -6.682 1.00 0.00 O ATOM 224 CB GLN A 18 -3.799 -2.949 -6.056 1.00 0.00 C ATOM 225 CG GLN A 18 -2.875 -1.744 -5.987 1.00 0.00 C ATOM 226 CD GLN A 18 -2.099 -1.529 -7.272 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.837 -2.474 -8.017 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.728 -0.283 -7.539 1.00 0.00 N ATOM 0 H GLN A 18 -6.036 -1.592 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.236 -2.799 -8.154 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.354 -3.024 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.197 -3.853 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.463 -0.852 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.175 -1.875 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.967 0.470 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.204 -0.078 -8.390 1.00 0.00 H new ATOM 237 N TRP A 19 -5.078 -5.181 -7.979 1.00 0.00 N ATOM 238 CA TRP A 19 -5.756 -6.466 -8.107 1.00 0.00 C ATOM 239 C TRP A 19 -4.788 -7.618 -7.860 1.00 0.00 C ATOM 240 O TRP A 19 -4.055 -8.030 -8.759 1.00 0.00 O ATOM 241 CB TRP A 19 -6.382 -6.599 -9.496 1.00 0.00 C ATOM 242 CG TRP A 19 -7.701 -5.899 -9.623 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.918 -6.365 -9.214 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.935 -4.609 -10.197 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.895 -5.441 -9.501 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.317 -4.355 -10.103 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.111 -3.642 -10.780 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.891 -3.176 -10.572 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.682 -2.473 -11.245 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.061 -2.248 -11.138 1.00 0.00 C ATOM 0 H TRP A 19 -4.187 -5.123 -8.473 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.544 -6.510 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.692 -6.196 -10.238 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.516 -7.656 -9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.088 -7.318 -8.736 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.889 -5.547 -9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.047 -3.806 -10.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.954 -3.001 -10.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.055 -1.720 -11.699 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.477 -1.323 -11.510 1.00 0.00 H new ATOM 261 N VAL A 20 -4.792 -8.136 -6.635 1.00 0.00 N ATOM 262 CA VAL A 20 -3.915 -9.242 -6.270 1.00 0.00 C ATOM 263 C VAL A 20 -4.702 -10.377 -5.625 1.00 0.00 C ATOM 264 O VAL A 20 -5.928 -10.323 -5.534 1.00 0.00 O ATOM 265 CB VAL A 20 -2.807 -8.785 -5.303 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.059 -7.590 -5.874 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.395 -8.454 -3.939 1.00 0.00 C ATOM 0 H VAL A 20 -5.393 -7.807 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.456 -9.600 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.096 -9.602 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.280 -7.281 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.605 -7.866 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.755 -6.765 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.599 -8.133 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.127 -7.653 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.881 -9.339 -3.528 1.00 0.00 H new ATOM 277 N ALA A 21 -3.988 -11.405 -5.177 1.00 0.00 N ATOM 278 CA ALA A 21 -4.619 -12.552 -4.537 1.00 0.00 C ATOM 279 C ALA A 21 -4.363 -12.552 -3.034 1.00 0.00 C ATOM 280 O ALA A 21 -3.449 -11.894 -2.535 1.00 0.00 O ATOM 281 CB ALA A 21 -4.116 -13.846 -5.159 1.00 0.00 C ATOM 0 H ALA A 21 -2.972 -11.466 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.695 -12.479 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.596 -14.695 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.355 -13.856 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.036 -13.916 -5.030 1.00 0.00 H new ATOM 287 N PRO A 22 -5.189 -13.305 -2.292 1.00 0.00 N ATOM 288 CA PRO A 22 -5.071 -13.408 -0.834 1.00 0.00 C ATOM 289 C PRO A 22 -3.826 -14.177 -0.406 1.00 0.00 C ATOM 290 O PRO A 22 -3.874 -15.388 -0.195 1.00 0.00 O ATOM 291 CB PRO A 22 -6.336 -14.170 -0.429 1.00 0.00 C ATOM 292 CG PRO A 22 -6.710 -14.953 -1.640 1.00 0.00 C ATOM 293 CD PRO A 22 -6.300 -14.115 -2.819 1.00 0.00 C ATOM 0 HA PRO A 22 -4.977 -12.430 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.149 -14.824 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.134 -13.487 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.203 -15.918 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.781 -15.155 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.984 -14.732 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.120 -13.490 -3.173 1.00 0.00 H new ATOM 301 N GLY A 23 -2.711 -13.464 -0.278 1.00 0.00 N ATOM 302 CA GLY A 23 -1.469 -14.097 0.126 1.00 0.00 C ATOM 303 C GLY A 23 -0.252 -13.419 -0.473 1.00 0.00 C ATOM 304 O GLY A 23 0.879 -13.696 -0.075 1.00 0.00 O ATOM 0 H GLY A 23 -2.646 -12.460 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.393 -14.080 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.483 -15.144 -0.176 1.00 0.00 H new ATOM 308 N GLU A 24 -0.484 -12.530 -1.434 1.00 0.00 N ATOM 309 CA GLU A 24 0.603 -11.814 -2.090 1.00 0.00 C ATOM 310 C GLU A 24 0.908 -10.506 -1.365 1.00 0.00 C ATOM 311 O GLU A 24 0.252 -10.161 -0.382 1.00 0.00 O ATOM 312 CB GLU A 24 0.248 -11.530 -3.551 1.00 0.00 C ATOM 313 CG GLU A 24 0.154 -12.781 -4.408 1.00 0.00 C ATOM 314 CD GLU A 24 1.480 -13.155 -5.042 1.00 0.00 C ATOM 315 OE1 GLU A 24 2.024 -12.332 -5.809 1.00 0.00 O ATOM 316 OE2 GLU A 24 1.974 -14.269 -4.771 1.00 0.00 O ATOM 0 H GLU A 24 -1.415 -12.289 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 24 1.492 -12.444 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.705 -11.001 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.999 -10.864 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.198 -13.611 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.588 -12.625 -5.191 1.00 0.00 H new ATOM 323 N ASP A 25 1.907 -9.782 -1.858 1.00 0.00 N ATOM 324 CA ASP A 25 2.299 -8.512 -1.259 1.00 0.00 C ATOM 325 C ASP A 25 1.931 -7.345 -2.170 1.00 0.00 C ATOM 326 O ASP A 25 2.315 -7.312 -3.340 1.00 0.00 O ATOM 327 CB ASP A 25 3.802 -8.500 -0.976 1.00 0.00 C ATOM 328 CG ASP A 25 4.617 -8.999 -2.153 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.914 -8.188 -3.056 1.00 0.00 O ATOM 330 OD2 ASP A 25 4.959 -10.199 -2.171 1.00 0.00 O ATOM 0 H ASP A 25 2.460 -10.053 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 25 1.759 -8.400 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.114 -7.486 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.010 -9.121 -0.105 1.00 0.00 H new ATOM 335 N VAL A 26 1.184 -6.389 -1.627 1.00 0.00 N ATOM 336 CA VAL A 26 0.764 -5.220 -2.390 1.00 0.00 C ATOM 337 C VAL A 26 1.727 -4.056 -2.188 1.00 0.00 C ATOM 338 O VAL A 26 2.264 -3.866 -1.097 1.00 0.00 O ATOM 339 CB VAL A 26 -0.656 -4.772 -1.995 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.031 -3.488 -2.718 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.663 -5.874 -2.290 1.00 0.00 C ATOM 0 H VAL A 26 0.857 -6.401 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 26 0.766 -5.511 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.671 -4.575 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.037 -3.187 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.325 -2.701 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.000 -3.654 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.661 -5.541 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.648 -6.105 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.402 -6.767 -1.721 1.00 0.00 H new ATOM 351 N GLU A 27 1.940 -3.280 -3.246 1.00 0.00 N ATOM 352 CA GLU A 27 2.840 -2.134 -3.183 1.00 0.00 C ATOM 353 C GLU A 27 2.204 -0.907 -3.830 1.00 0.00 C ATOM 354 O GLU A 27 2.070 -0.835 -5.053 1.00 0.00 O ATOM 355 CB GLU A 27 4.165 -2.460 -3.875 1.00 0.00 C ATOM 356 CG GLU A 27 4.915 -3.619 -3.240 1.00 0.00 C ATOM 357 CD GLU A 27 6.153 -4.012 -4.024 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.088 -3.189 -4.109 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.185 -5.144 -4.551 1.00 0.00 O ATOM 0 H GLU A 27 1.502 -3.424 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 27 3.032 -1.912 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.970 -2.694 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.801 -1.575 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.203 -3.348 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.250 -4.479 -3.163 1.00 0.00 H new ATOM 366 N LEU A 28 1.812 0.054 -3.002 1.00 0.00 N ATOM 367 CA LEU A 28 1.189 1.279 -3.491 1.00 0.00 C ATOM 368 C LEU A 28 2.206 2.413 -3.573 1.00 0.00 C ATOM 369 O LEU A 28 2.486 3.081 -2.577 1.00 0.00 O ATOM 370 CB LEU A 28 0.028 1.684 -2.580 1.00 0.00 C ATOM 371 CG LEU A 28 -1.093 0.656 -2.425 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.817 0.852 -1.102 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.069 0.751 -3.588 1.00 0.00 C ATOM 0 H LEU A 28 1.914 0.009 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 28 0.806 1.087 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.429 1.907 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.404 2.608 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.650 -0.340 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.612 0.112 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.111 0.732 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.248 1.853 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.860 0.012 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.506 1.749 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.541 0.560 -4.522 1.00 0.00 H new ATOM 385 N ARG A 29 2.754 2.625 -4.765 1.00 0.00 N ATOM 386 CA ARG A 29 3.739 3.679 -4.976 1.00 0.00 C ATOM 387 C ARG A 29 3.066 4.967 -5.441 1.00 0.00 C ATOM 388 O ARG A 29 2.099 4.934 -6.203 1.00 0.00 O ATOM 389 CB ARG A 29 4.780 3.235 -6.005 1.00 0.00 C ATOM 390 CG ARG A 29 5.697 2.130 -5.506 1.00 0.00 C ATOM 391 CD ARG A 29 6.628 1.641 -6.604 1.00 0.00 C ATOM 392 NE ARG A 29 5.893 1.115 -7.751 1.00 0.00 N ATOM 393 CZ ARG A 29 5.429 1.874 -8.737 1.00 0.00 C ATOM 394 NH1 ARG A 29 5.624 3.185 -8.717 1.00 0.00 N ATOM 395 NH2 ARG A 29 4.770 1.321 -9.747 1.00 0.00 N ATOM 0 H ARG A 29 2.533 2.081 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 29 4.237 3.872 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.267 2.892 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.385 4.095 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.285 2.496 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.098 1.297 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.268 2.462 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.282 0.865 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 29 5.727 0.110 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.132 3.613 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.266 3.765 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.619 0.312 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.414 1.905 -10.504 1.00 0.00 H new ATOM 409 N CYS A 30 3.583 6.099 -4.977 1.00 0.00 N ATOM 410 CA CYS A 30 3.032 7.399 -5.344 1.00 0.00 C ATOM 411 C CYS A 30 4.144 8.382 -5.694 1.00 0.00 C ATOM 412 O CYS A 30 5.319 8.020 -5.721 1.00 0.00 O ATOM 413 CB CYS A 30 2.182 7.957 -4.202 1.00 0.00 C ATOM 414 SG CYS A 30 3.119 8.900 -2.977 1.00 0.00 S ATOM 0 H CYS A 30 4.383 6.143 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 30 2.402 7.264 -6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.405 8.597 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.678 7.130 -3.701 1.00 0.00 H new ATOM 0 HG CYS A 30 2.313 9.332 -2.053 1.00 0.00 H new ATOM 420 N GLU A 31 3.763 9.627 -5.963 1.00 0.00 N ATOM 421 CA GLU A 31 4.729 10.662 -6.314 1.00 0.00 C ATOM 422 C GLU A 31 4.424 11.963 -5.576 1.00 0.00 C ATOM 423 O GLU A 31 3.266 12.276 -5.299 1.00 0.00 O ATOM 424 CB GLU A 31 4.723 10.906 -7.824 1.00 0.00 C ATOM 425 CG GLU A 31 6.012 11.516 -8.348 1.00 0.00 C ATOM 426 CD GLU A 31 7.060 10.471 -8.677 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.888 9.757 -9.687 1.00 0.00 O ATOM 428 OE2 GLU A 31 8.052 10.368 -7.926 1.00 0.00 O ATOM 0 H GLU A 31 2.793 9.943 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 31 5.718 10.317 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.545 9.960 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.892 11.565 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.795 12.102 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.412 12.205 -7.604 1.00 0.00 H new ATOM 435 N LEU A 32 5.472 12.716 -5.261 1.00 0.00 N ATOM 436 CA LEU A 32 5.318 13.984 -4.555 1.00 0.00 C ATOM 437 C LEU A 32 6.141 15.081 -5.222 1.00 0.00 C ATOM 438 O LEU A 32 7.317 14.890 -5.529 1.00 0.00 O ATOM 439 CB LEU A 32 5.741 13.830 -3.093 1.00 0.00 C ATOM 440 CG LEU A 32 5.351 12.516 -2.416 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.261 12.236 -1.230 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.894 12.556 -1.975 1.00 0.00 C ATOM 0 H LEU A 32 6.437 12.471 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 32 4.267 14.269 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.824 13.937 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.309 14.652 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 32 5.470 11.708 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.968 11.297 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.293 12.164 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.174 13.046 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.633 11.613 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.750 13.374 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.255 12.710 -2.844 1.00 0.00 H new ATOM 454 N SER A 33 5.514 16.233 -5.441 1.00 0.00 N ATOM 455 CA SER A 33 6.187 17.362 -6.073 1.00 0.00 C ATOM 456 C SER A 33 7.429 17.765 -5.283 1.00 0.00 C ATOM 457 O SER A 33 8.282 18.501 -5.780 1.00 0.00 O ATOM 458 CB SER A 33 5.234 18.552 -6.189 1.00 0.00 C ATOM 459 OG SER A 33 5.937 19.739 -6.512 1.00 0.00 O ATOM 0 H SER A 33 4.541 16.409 -5.190 1.00 0.00 H new ATOM 0 HA SER A 33 6.496 17.056 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.486 18.349 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.699 18.687 -5.249 1.00 0.00 H new ATOM 0 HG SER A 33 6.901 19.575 -6.450 1.00 0.00 H new ATOM 465 N ARG A 34 7.523 17.277 -4.051 1.00 0.00 N ATOM 466 CA ARG A 34 8.658 17.586 -3.191 1.00 0.00 C ATOM 467 C ARG A 34 8.867 16.491 -2.149 1.00 0.00 C ATOM 468 O ARG A 34 7.906 15.947 -1.605 1.00 0.00 O ATOM 469 CB ARG A 34 8.447 18.932 -2.495 1.00 0.00 C ATOM 470 CG ARG A 34 9.500 19.248 -1.446 1.00 0.00 C ATOM 471 CD ARG A 34 9.023 20.326 -0.485 1.00 0.00 C ATOM 472 NE ARG A 34 8.815 21.606 -1.156 1.00 0.00 N ATOM 473 CZ ARG A 34 8.543 22.737 -0.515 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.448 22.746 0.808 1.00 0.00 N ATOM 475 NH2 ARG A 34 8.367 23.861 -1.196 1.00 0.00 N ATOM 0 H ARG A 34 6.826 16.666 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 34 9.549 17.643 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.445 19.723 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.464 18.937 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.743 18.343 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.417 19.576 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.092 20.007 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.755 20.450 0.313 1.00 0.00 H new ATOM 0 HE ARG A 34 8.882 21.633 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.584 21.883 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.239 23.616 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.440 23.858 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.158 24.729 -0.703 1.00 0.00 H new ATOM 489 N ALA A 35 10.128 16.172 -1.878 1.00 0.00 N ATOM 490 CA ALA A 35 10.462 15.143 -0.901 1.00 0.00 C ATOM 491 C ALA A 35 10.448 15.705 0.516 1.00 0.00 C ATOM 492 O ALA A 35 10.107 16.868 0.730 1.00 0.00 O ATOM 493 CB ALA A 35 11.821 14.537 -1.217 1.00 0.00 C ATOM 0 H ALA A 35 10.935 16.611 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 35 9.705 14.361 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.058 13.770 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.798 14.090 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.583 15.316 -1.187 1.00 0.00 H new ATOM 534 N VAL A 39 3.463 11.802 5.556 1.00 0.00 N ATOM 535 CA VAL A 39 2.332 11.139 4.918 1.00 0.00 C ATOM 536 C VAL A 39 1.465 10.420 5.946 1.00 0.00 C ATOM 537 O VAL A 39 1.961 9.944 6.968 1.00 0.00 O ATOM 538 CB VAL A 39 2.800 10.125 3.857 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.206 8.815 4.514 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.709 9.896 2.822 1.00 0.00 C ATOM 0 HA VAL A 39 1.743 11.916 4.431 1.00 0.00 H new ATOM 0 HB VAL A 39 3.672 10.534 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.534 8.111 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.022 8.996 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.354 8.398 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.056 9.177 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.817 9.508 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.471 10.839 2.330 1.00 0.00 H new ATOM 550 N HIS A 40 0.168 10.344 5.668 1.00 0.00 N ATOM 551 CA HIS A 40 -0.769 9.681 6.569 1.00 0.00 C ATOM 552 C HIS A 40 -1.545 8.589 5.838 1.00 0.00 C ATOM 553 O HIS A 40 -2.483 8.875 5.093 1.00 0.00 O ATOM 554 CB HIS A 40 -1.740 10.699 7.169 1.00 0.00 C ATOM 555 CG HIS A 40 -2.221 10.332 8.538 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.723 11.254 9.432 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.278 9.133 9.165 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.065 10.640 10.550 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.806 9.352 10.414 1.00 0.00 N ATOM 0 H HIS A 40 -0.259 10.733 4.827 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.196 9.219 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.252 11.672 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.599 10.803 6.507 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.816 12.255 9.257 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.966 8.182 8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.485 11.111 11.426 1.00 0.00 H new ATOM 568 N TRP A 41 -1.148 7.341 6.055 1.00 0.00 N ATOM 569 CA TRP A 41 -1.806 6.207 5.416 1.00 0.00 C ATOM 570 C TRP A 41 -3.052 5.793 6.192 1.00 0.00 C ATOM 571 O TRP A 41 -2.960 5.302 7.318 1.00 0.00 O ATOM 572 CB TRP A 41 -0.841 5.025 5.309 1.00 0.00 C ATOM 573 CG TRP A 41 0.288 5.266 4.354 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.539 5.720 4.661 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.269 5.067 2.936 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.299 5.815 3.520 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.543 5.420 2.448 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.699 4.624 2.031 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.870 5.343 1.097 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.373 4.549 0.690 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.902 4.906 0.234 1.00 0.00 C ATOM 0 H TRP A 41 -0.373 7.088 6.669 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.109 6.512 4.414 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.433 4.808 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.394 4.141 4.991 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.881 5.968 5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.269 6.129 3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.685 4.345 2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.852 5.618 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.114 4.209 -0.018 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.126 4.835 -0.820 1.00 0.00 H new ATOM 592 N LEU A 42 -4.216 5.994 5.584 1.00 0.00 N ATOM 593 CA LEU A 42 -5.481 5.641 6.218 1.00 0.00 C ATOM 594 C LEU A 42 -6.149 4.479 5.490 1.00 0.00 C ATOM 595 O LEU A 42 -6.369 4.533 4.280 1.00 0.00 O ATOM 596 CB LEU A 42 -6.418 6.850 6.240 1.00 0.00 C ATOM 597 CG LEU A 42 -5.840 8.137 6.830 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.473 9.355 6.176 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.044 8.171 8.337 1.00 0.00 C ATOM 0 H LEU A 42 -4.310 6.400 4.653 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.272 5.332 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.739 7.054 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.310 6.583 6.807 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.769 8.158 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.049 10.262 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.274 9.337 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.550 9.341 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.627 9.094 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.110 8.127 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.542 7.317 8.791 1.00 0.00 H new ATOM 611 N LYS A 43 -6.473 3.428 6.236 1.00 0.00 N ATOM 612 CA LYS A 43 -7.119 2.253 5.664 1.00 0.00 C ATOM 613 C LYS A 43 -8.563 2.140 6.142 1.00 0.00 C ATOM 614 O LYS A 43 -8.840 1.522 7.170 1.00 0.00 O ATOM 615 CB LYS A 43 -6.346 0.986 6.039 1.00 0.00 C ATOM 616 CG LYS A 43 -6.479 -0.132 5.020 1.00 0.00 C ATOM 617 CD LYS A 43 -5.890 -1.433 5.539 1.00 0.00 C ATOM 618 CE LYS A 43 -6.595 -2.641 4.943 1.00 0.00 C ATOM 619 NZ LYS A 43 -7.765 -3.062 5.763 1.00 0.00 N ATOM 0 H LYS A 43 -6.298 3.366 7.239 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.121 2.362 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.291 1.235 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.699 0.628 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.531 -0.280 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.975 0.154 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.828 -1.475 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.971 -1.462 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.926 -2.405 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.891 -3.469 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.218 -3.888 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.446 -3.311 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.449 -2.281 5.819 1.00 0.00 H new ATOM 633 N ASP A 44 -9.479 2.739 5.390 1.00 0.00 N ATOM 634 CA ASP A 44 -10.896 2.703 5.735 1.00 0.00 C ATOM 635 C ASP A 44 -11.184 3.594 6.939 1.00 0.00 C ATOM 636 O ASP A 44 -11.796 3.158 7.915 1.00 0.00 O ATOM 637 CB ASP A 44 -11.334 1.268 6.031 1.00 0.00 C ATOM 638 CG ASP A 44 -12.797 1.032 5.710 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.202 1.295 4.559 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.538 0.584 6.611 1.00 0.00 O ATOM 0 H ASP A 44 -9.266 3.256 4.537 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.462 3.079 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.722 0.577 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.155 1.046 7.083 1.00 0.00 H new ATOM 645 N ARG A 45 -10.738 4.844 6.864 1.00 0.00 N ATOM 646 CA ARG A 45 -10.946 5.796 7.949 1.00 0.00 C ATOM 647 C ARG A 45 -10.226 5.342 9.216 1.00 0.00 C ATOM 648 O ARG A 45 -10.744 5.489 10.323 1.00 0.00 O ATOM 649 CB ARG A 45 -12.441 5.962 8.230 1.00 0.00 C ATOM 650 CG ARG A 45 -13.224 6.519 7.052 1.00 0.00 C ATOM 651 CD ARG A 45 -13.219 8.039 7.049 1.00 0.00 C ATOM 652 NE ARG A 45 -14.128 8.587 6.045 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.597 9.829 6.079 1.00 0.00 C ATOM 654 NH1 ARG A 45 -14.245 10.648 7.060 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.420 10.255 5.129 1.00 0.00 N ATOM 0 H ARG A 45 -10.231 5.221 6.064 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.532 6.756 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.859 4.995 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.570 6.624 9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.793 6.151 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.251 6.157 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.505 8.404 8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.208 8.398 6.857 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.418 7.983 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.612 10.325 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.607 11.601 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.693 9.628 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.780 11.209 5.156 1.00 0.00 H new ATOM 669 N LYS A 46 -9.030 4.790 9.045 1.00 0.00 N ATOM 670 CA LYS A 46 -8.238 4.315 10.173 1.00 0.00 C ATOM 671 C LYS A 46 -6.753 4.582 9.946 1.00 0.00 C ATOM 672 O LYS A 46 -6.204 4.237 8.901 1.00 0.00 O ATOM 673 CB LYS A 46 -8.470 2.818 10.392 1.00 0.00 C ATOM 674 CG LYS A 46 -9.797 2.500 11.059 1.00 0.00 C ATOM 675 CD LYS A 46 -10.186 1.044 10.860 1.00 0.00 C ATOM 676 CE LYS A 46 -9.589 0.155 11.939 1.00 0.00 C ATOM 677 NZ LYS A 46 -10.118 0.491 13.290 1.00 0.00 N ATOM 0 H LYS A 46 -8.587 4.660 8.135 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.556 4.859 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.425 2.307 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.661 2.419 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.731 2.718 12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.575 3.145 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.272 0.952 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.847 0.706 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.808 -0.888 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.504 0.260 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.063 -0.347 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.552 1.260 13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.109 0.796 13.209 1.00 0.00 H new ATOM 691 N ALA A 47 -6.110 5.198 10.932 1.00 0.00 N ATOM 692 CA ALA A 47 -4.689 5.508 10.841 1.00 0.00 C ATOM 693 C ALA A 47 -3.846 4.237 10.880 1.00 0.00 C ATOM 694 O ALA A 47 -3.882 3.487 11.856 1.00 0.00 O ATOM 695 CB ALA A 47 -4.280 6.448 11.965 1.00 0.00 C ATOM 0 H ALA A 47 -6.551 5.492 11.803 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.511 6.002 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.216 6.671 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.851 7.374 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.479 5.974 12.926 1.00 0.00 H new ATOM 701 N ILE A 48 -3.090 4.001 9.813 1.00 0.00 N ATOM 702 CA ILE A 48 -2.239 2.821 9.726 1.00 0.00 C ATOM 703 C ILE A 48 -0.924 3.036 10.468 1.00 0.00 C ATOM 704 O ILE A 48 -0.304 4.094 10.358 1.00 0.00 O ATOM 705 CB ILE A 48 -1.935 2.453 8.262 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.237 2.291 7.474 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.108 1.178 8.197 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.023 2.087 5.990 1.00 0.00 C ATOM 0 H ILE A 48 -3.050 4.611 8.997 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.787 2.002 10.192 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.357 3.260 7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.791 1.441 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.857 3.175 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.901 0.931 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.168 1.327 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.661 0.361 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.988 1.980 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.497 2.947 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.430 1.187 5.828 1.00 0.00 H new ATOM 720 N ARG A 49 -0.504 2.025 11.221 1.00 0.00 N ATOM 721 CA ARG A 49 0.739 2.103 11.980 1.00 0.00 C ATOM 722 C ARG A 49 1.843 1.301 11.299 1.00 0.00 C ATOM 723 O ARG A 49 1.689 0.107 11.040 1.00 0.00 O ATOM 724 CB ARG A 49 0.524 1.589 13.405 1.00 0.00 C ATOM 725 CG ARG A 49 -0.287 0.305 13.473 1.00 0.00 C ATOM 726 CD ARG A 49 -0.069 -0.423 14.790 1.00 0.00 C ATOM 727 NE ARG A 49 -1.034 -0.015 15.807 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.877 1.052 16.583 1.00 0.00 C ATOM 729 NH1 ARG A 49 0.200 1.814 16.458 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.800 1.358 17.486 1.00 0.00 N ATOM 0 H ARG A 49 -1.006 1.143 11.322 1.00 0.00 H new ATOM 0 HA ARG A 49 1.046 3.148 12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.494 1.421 13.872 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.019 2.359 13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.346 0.536 13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.008 -0.347 12.645 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.147 -1.498 14.627 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.941 -0.227 15.150 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.875 -0.580 15.928 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.911 1.582 15.765 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.318 2.633 17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.630 0.774 17.585 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.679 2.177 18.082 1.00 0.00 H new ATOM 744 N LYS A 50 2.958 1.964 11.012 1.00 0.00 N ATOM 745 CA LYS A 50 4.090 1.314 10.362 1.00 0.00 C ATOM 746 C LYS A 50 4.540 0.088 11.151 1.00 0.00 C ATOM 747 O LYS A 50 5.078 0.210 12.251 1.00 0.00 O ATOM 748 CB LYS A 50 5.254 2.296 10.216 1.00 0.00 C ATOM 749 CG LYS A 50 6.439 1.726 9.457 1.00 0.00 C ATOM 750 CD LYS A 50 7.436 2.811 9.083 1.00 0.00 C ATOM 751 CE LYS A 50 8.375 3.126 10.238 1.00 0.00 C ATOM 752 NZ LYS A 50 9.664 3.700 9.763 1.00 0.00 N ATOM 0 H LYS A 50 3.102 2.952 11.220 1.00 0.00 H new ATOM 0 HA LYS A 50 3.771 0.990 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.901 3.191 9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.583 2.606 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.934 0.971 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.088 1.226 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.016 2.491 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.900 3.714 8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.893 3.829 10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.570 2.216 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.276 3.901 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.137 3.019 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.481 4.581 9.242 1.00 0.00 H new ATOM 766 N SER A 51 4.317 -1.091 10.581 1.00 0.00 N ATOM 767 CA SER A 51 4.698 -2.339 11.233 1.00 0.00 C ATOM 768 C SER A 51 5.052 -3.405 10.200 1.00 0.00 C ATOM 769 O SER A 51 4.867 -3.206 9.000 1.00 0.00 O ATOM 770 CB SER A 51 3.562 -2.838 12.128 1.00 0.00 C ATOM 771 OG SER A 51 2.347 -2.935 11.406 1.00 0.00 O ATOM 0 H SER A 51 3.875 -1.209 9.669 1.00 0.00 H new ATOM 0 HA SER A 51 5.578 -2.146 11.847 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.822 -3.813 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.434 -2.159 12.971 1.00 0.00 H new ATOM 0 HG SER A 51 2.000 -2.036 11.228 1.00 0.00 H new ATOM 777 N GLN A 52 5.562 -4.536 10.677 1.00 0.00 N ATOM 778 CA GLN A 52 5.944 -5.633 9.796 1.00 0.00 C ATOM 779 C GLN A 52 4.961 -5.768 8.638 1.00 0.00 C ATOM 780 O GLN A 52 5.358 -5.994 7.495 1.00 0.00 O ATOM 781 CB GLN A 52 6.010 -6.945 10.580 1.00 0.00 C ATOM 782 CG GLN A 52 7.086 -6.958 11.654 1.00 0.00 C ATOM 783 CD GLN A 52 6.779 -7.932 12.775 1.00 0.00 C ATOM 784 OE1 GLN A 52 6.586 -9.125 12.541 1.00 0.00 O ATOM 785 NE2 GLN A 52 6.733 -7.426 14.002 1.00 0.00 N ATOM 0 H GLN A 52 5.720 -4.716 11.668 1.00 0.00 H new ATOM 0 HA GLN A 52 6.930 -5.412 9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.042 -7.130 11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.192 -7.765 9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.042 -7.220 11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.193 -5.955 12.068 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.899 -6.431 14.150 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.531 -8.033 14.797 1.00 0.00 H new ATOM 794 N LYS A 53 3.675 -5.629 8.941 1.00 0.00 N ATOM 795 CA LYS A 53 2.633 -5.734 7.926 1.00 0.00 C ATOM 796 C LYS A 53 2.687 -4.550 6.966 1.00 0.00 C ATOM 797 O LYS A 53 2.779 -4.727 5.751 1.00 0.00 O ATOM 798 CB LYS A 53 1.254 -5.807 8.586 1.00 0.00 C ATOM 799 CG LYS A 53 0.104 -5.615 7.614 1.00 0.00 C ATOM 800 CD LYS A 53 0.020 -6.757 6.615 1.00 0.00 C ATOM 801 CE LYS A 53 -0.869 -7.880 7.126 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.305 -7.487 7.144 1.00 0.00 N ATOM 0 H LYS A 53 3.329 -5.443 9.882 1.00 0.00 H new ATOM 0 HA LYS A 53 2.806 -6.648 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.146 -6.774 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.192 -5.046 9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.833 -5.545 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.231 -4.673 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.370 -6.385 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.020 -7.144 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.741 -8.760 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.557 -8.161 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.888 -8.314 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.452 -6.741 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.579 -7.131 6.206 1.00 0.00 H new ATOM 816 N TYR A 54 2.631 -3.343 7.519 1.00 0.00 N ATOM 817 CA TYR A 54 2.672 -2.130 6.712 1.00 0.00 C ATOM 818 C TYR A 54 4.055 -1.488 6.764 1.00 0.00 C ATOM 819 O TYR A 54 4.493 -1.014 7.813 1.00 0.00 O ATOM 820 CB TYR A 54 1.617 -1.134 7.196 1.00 0.00 C ATOM 821 CG TYR A 54 0.214 -1.699 7.213 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.391 -2.144 6.044 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.505 -1.788 8.398 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.673 -2.660 6.056 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.787 -2.304 8.419 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.366 -2.738 7.246 1.00 0.00 C ATOM 827 OH TYR A 54 -3.642 -3.252 7.261 1.00 0.00 O ATOM 0 H TYR A 54 2.557 -3.179 8.523 1.00 0.00 H new ATOM 0 HA TYR A 54 2.457 -2.404 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.878 -0.801 8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.638 -0.254 6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.149 -2.086 5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.055 -1.448 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.130 -3.000 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.332 -2.367 9.349 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.990 -3.238 8.177 1.00 0.00 H new ATOM 837 N ASP A 55 4.738 -1.476 5.624 1.00 0.00 N ATOM 838 CA ASP A 55 6.071 -0.891 5.538 1.00 0.00 C ATOM 839 C ASP A 55 6.028 0.454 4.818 1.00 0.00 C ATOM 840 O ASP A 55 6.109 0.517 3.592 1.00 0.00 O ATOM 841 CB ASP A 55 7.022 -1.842 4.810 1.00 0.00 C ATOM 842 CG ASP A 55 6.925 -3.264 5.326 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.060 -4.017 4.832 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.714 -3.625 6.225 1.00 0.00 O ATOM 0 H ASP A 55 4.390 -1.865 4.747 1.00 0.00 H new ATOM 0 HA ASP A 55 6.437 -0.729 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.798 -1.829 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.046 -1.486 4.925 1.00 0.00 H new ATOM 849 N VAL A 56 5.900 1.528 5.590 1.00 0.00 N ATOM 850 CA VAL A 56 5.846 2.872 5.028 1.00 0.00 C ATOM 851 C VAL A 56 7.210 3.300 4.497 1.00 0.00 C ATOM 852 O VAL A 56 8.048 3.805 5.244 1.00 0.00 O ATOM 853 CB VAL A 56 5.368 3.899 6.071 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.320 5.294 5.465 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.008 3.502 6.625 1.00 0.00 C ATOM 0 H VAL A 56 5.832 1.493 6.607 1.00 0.00 H new ATOM 0 HA VAL A 56 5.131 2.842 4.206 1.00 0.00 H new ATOM 0 HB VAL A 56 6.081 3.912 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.980 6.006 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.315 5.576 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.630 5.301 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.686 4.239 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.283 3.459 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.080 2.523 7.099 1.00 0.00 H new ATOM 865 N VAL A 57 7.425 3.096 3.201 1.00 0.00 N ATOM 866 CA VAL A 57 8.687 3.463 2.569 1.00 0.00 C ATOM 867 C VAL A 57 8.643 4.893 2.044 1.00 0.00 C ATOM 868 O VAL A 57 7.687 5.292 1.378 1.00 0.00 O ATOM 869 CB VAL A 57 9.030 2.511 1.407 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.279 2.984 0.680 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.206 1.089 1.918 1.00 0.00 C ATOM 0 H VAL A 57 6.742 2.679 2.569 1.00 0.00 H new ATOM 0 HA VAL A 57 9.459 3.384 3.334 1.00 0.00 H new ATOM 0 HB VAL A 57 8.202 2.518 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.506 2.299 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.110 3.984 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.118 3.009 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.448 0.430 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.015 1.062 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.281 0.754 2.389 1.00 0.00 H new ATOM 914 N THR A 61 10.605 11.500 -3.302 1.00 0.00 N ATOM 915 CA THR A 61 9.257 11.880 -3.706 1.00 0.00 C ATOM 916 C THR A 61 8.451 10.663 -4.143 1.00 0.00 C ATOM 917 O THR A 61 7.705 10.719 -5.120 1.00 0.00 O ATOM 918 CB THR A 61 9.283 12.904 -4.856 1.00 0.00 C ATOM 919 OG1 THR A 61 10.242 12.508 -5.843 1.00 0.00 O ATOM 920 CG2 THR A 61 9.626 14.292 -4.337 1.00 0.00 C ATOM 0 HA THR A 61 8.782 12.334 -2.836 1.00 0.00 H new ATOM 0 HB THR A 61 8.291 12.937 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.897 11.901 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.638 14.998 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.878 14.603 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.608 14.271 -3.864 1.00 0.00 H new ATOM 928 N MET A 62 8.605 9.563 -3.412 1.00 0.00 N ATOM 929 CA MET A 62 7.888 8.332 -3.724 1.00 0.00 C ATOM 930 C MET A 62 7.540 7.568 -2.451 1.00 0.00 C ATOM 931 O MET A 62 8.415 7.007 -1.793 1.00 0.00 O ATOM 932 CB MET A 62 8.727 7.449 -4.649 1.00 0.00 C ATOM 933 CG MET A 62 7.954 6.281 -5.241 1.00 0.00 C ATOM 934 SD MET A 62 7.485 5.059 -4.001 1.00 0.00 S ATOM 935 CE MET A 62 9.095 4.532 -3.420 1.00 0.00 C ATOM 0 H MET A 62 9.219 9.499 -2.600 1.00 0.00 H new ATOM 0 HA MET A 62 6.961 8.599 -4.231 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.123 8.060 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.582 7.064 -4.093 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.057 6.656 -5.733 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.561 5.800 -6.008 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.160 3.445 -3.464 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.870 4.967 -4.051 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.237 4.863 -2.391 1.00 0.00 H new ATOM 945 N ALA A 63 6.255 7.551 -2.109 1.00 0.00 N ATOM 946 CA ALA A 63 5.792 6.854 -0.916 1.00 0.00 C ATOM 947 C ALA A 63 5.195 5.496 -1.269 1.00 0.00 C ATOM 948 O ALA A 63 4.177 5.415 -1.956 1.00 0.00 O ATOM 949 CB ALA A 63 4.771 7.703 -0.172 1.00 0.00 C ATOM 0 H ALA A 63 5.517 8.012 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 63 6.652 6.686 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.433 7.170 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.229 8.647 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.919 7.900 -0.822 1.00 0.00 H new ATOM 955 N MET A 64 5.836 4.432 -0.796 1.00 0.00 N ATOM 956 CA MET A 64 5.367 3.077 -1.063 1.00 0.00 C ATOM 957 C MET A 64 4.938 2.387 0.227 1.00 0.00 C ATOM 958 O MET A 64 5.678 2.371 1.212 1.00 0.00 O ATOM 959 CB MET A 64 6.464 2.262 -1.751 1.00 0.00 C ATOM 960 CG MET A 64 5.963 0.963 -2.362 1.00 0.00 C ATOM 961 SD MET A 64 7.291 -0.029 -3.071 1.00 0.00 S ATOM 962 CE MET A 64 8.371 -0.210 -1.654 1.00 0.00 C ATOM 0 H MET A 64 6.681 4.482 -0.226 1.00 0.00 H new ATOM 0 HA MET A 64 4.503 3.141 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.920 2.869 -2.533 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.246 2.035 -1.026 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.449 0.381 -1.597 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.230 1.189 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.996 -1.094 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.004 0.673 -1.564 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.771 -0.319 -0.751 1.00 0.00 H new ATOM 972 N LEU A 65 3.738 1.816 0.217 1.00 0.00 N ATOM 973 CA LEU A 65 3.210 1.124 1.387 1.00 0.00 C ATOM 974 C LEU A 65 3.062 -0.370 1.115 1.00 0.00 C ATOM 975 O LEU A 65 2.106 -0.803 0.472 1.00 0.00 O ATOM 976 CB LEU A 65 1.858 1.717 1.788 1.00 0.00 C ATOM 977 CG LEU A 65 1.165 1.061 2.982 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.882 1.415 4.276 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.296 1.482 3.048 1.00 0.00 C ATOM 0 H LEU A 65 3.113 1.819 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 65 3.916 1.258 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.000 2.774 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.190 1.660 0.929 1.00 0.00 H new ATOM 0 HG LEU A 65 1.206 -0.020 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.374 0.939 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.913 1.064 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.873 2.496 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.774 1.005 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.358 2.565 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.804 1.177 2.133 1.00 0.00 H new ATOM 991 N VAL A 66 4.014 -1.153 1.612 1.00 0.00 N ATOM 992 CA VAL A 66 3.989 -2.599 1.426 1.00 0.00 C ATOM 993 C VAL A 66 2.967 -3.254 2.348 1.00 0.00 C ATOM 994 O VAL A 66 2.856 -2.897 3.521 1.00 0.00 O ATOM 995 CB VAL A 66 5.373 -3.223 1.686 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.416 -4.658 1.183 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.465 -2.388 1.034 1.00 0.00 C ATOM 0 H VAL A 66 4.812 -0.810 2.147 1.00 0.00 H new ATOM 0 HA VAL A 66 3.707 -2.780 0.389 1.00 0.00 H new ATOM 0 HB VAL A 66 5.550 -3.235 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.402 -5.082 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.660 -5.248 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.217 -4.674 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.436 -2.844 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.294 -2.342 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.448 -1.380 1.448 1.00 0.00 H new ATOM 1007 N ILE A 67 2.223 -4.214 1.810 1.00 0.00 N ATOM 1008 CA ILE A 67 1.210 -4.920 2.585 1.00 0.00 C ATOM 1009 C ILE A 67 1.484 -6.420 2.609 1.00 0.00 C ATOM 1010 O ILE A 67 0.893 -7.181 1.842 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.202 -4.676 2.022 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.542 -3.185 2.065 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.230 -5.482 2.802 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.482 -2.747 0.965 1.00 0.00 C ATOM 0 H ILE A 67 2.302 -4.521 0.841 1.00 0.00 H new ATOM 0 HA ILE A 67 1.259 -4.527 3.601 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.224 -5.004 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.991 -2.951 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.380 -2.608 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.223 -5.299 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.995 -6.544 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.209 -5.182 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.679 -1.679 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.027 -2.949 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.420 -3.297 1.047 1.00 0.00 H new ATOM 1026 N ARG A 68 2.381 -6.838 3.496 1.00 0.00 N ATOM 1027 CA ARG A 68 2.732 -8.248 3.621 1.00 0.00 C ATOM 1028 C ARG A 68 1.481 -9.109 3.765 1.00 0.00 C ATOM 1029 O ARG A 68 0.539 -8.742 4.466 1.00 0.00 O ATOM 1030 CB ARG A 68 3.652 -8.461 4.824 1.00 0.00 C ATOM 1031 CG ARG A 68 5.122 -8.222 4.517 1.00 0.00 C ATOM 1032 CD ARG A 68 5.694 -9.325 3.641 1.00 0.00 C ATOM 1033 NE ARG A 68 5.907 -10.562 4.388 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.916 -10.747 5.231 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.801 -9.781 5.434 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.043 -11.901 5.874 1.00 0.00 N ATOM 0 H ARG A 68 2.878 -6.221 4.138 1.00 0.00 H new ATOM 0 HA ARG A 68 3.256 -8.548 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.344 -7.793 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.527 -9.480 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.239 -7.261 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.685 -8.167 5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.016 -9.516 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.639 -8.993 3.212 1.00 0.00 H new ATOM 0 HE ARG A 68 5.244 -11.326 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.708 -8.892 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.575 -9.926 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.365 -12.647 5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.819 -12.041 6.521 1.00 0.00 H new ATOM 1050 N GLY A 69 1.479 -10.257 3.094 1.00 0.00 N ATOM 1051 CA GLY A 69 0.338 -11.153 3.160 1.00 0.00 C ATOM 1052 C GLY A 69 -0.983 -10.410 3.146 1.00 0.00 C ATOM 1053 O GLY A 69 -1.628 -10.257 4.183 1.00 0.00 O ATOM 0 H GLY A 69 2.246 -10.583 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.372 -11.843 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.404 -11.754 4.067 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.387 -9.947 1.968 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.640 -9.216 1.823 1.00 0.00 C ATOM 1059 C ALA A 70 -3.820 -10.173 1.681 1.00 0.00 C ATOM 1060 O ALA A 70 -4.060 -10.721 0.605 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.570 -8.280 0.625 1.00 0.00 C ATOM 0 H ALA A 70 -0.865 -10.065 1.100 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.793 -8.623 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.512 -7.741 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.757 -7.568 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.390 -8.860 -0.280 1.00 0.00 H new ATOM 1067 N SER A 71 -4.552 -10.368 2.773 1.00 0.00 N ATOM 1068 CA SER A 71 -5.704 -11.263 2.771 1.00 0.00 C ATOM 1069 C SER A 71 -6.985 -10.497 2.454 1.00 0.00 C ATOM 1070 O SER A 71 -7.007 -9.266 2.471 1.00 0.00 O ATOM 1071 CB SER A 71 -5.835 -11.962 4.125 1.00 0.00 C ATOM 1072 OG SER A 71 -4.732 -12.818 4.366 1.00 0.00 O ATOM 0 H SER A 71 -4.368 -9.919 3.670 1.00 0.00 H new ATOM 0 HA SER A 71 -5.549 -12.014 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.901 -11.217 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.760 -12.539 4.152 1.00 0.00 H new ATOM 0 HG SER A 71 -4.839 -13.251 5.238 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.051 -11.235 2.166 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.338 -10.627 1.846 1.00 0.00 C ATOM 1080 C LEU A 72 -9.609 -9.422 2.741 1.00 0.00 C ATOM 1081 O LEU A 72 -10.149 -8.410 2.292 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.462 -11.654 2.000 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.283 -12.965 1.234 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.318 -13.987 1.676 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.375 -12.723 -0.266 1.00 0.00 C ATOM 0 H LEU A 72 -8.050 -12.255 2.147 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.304 -10.287 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.571 -11.887 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.395 -11.193 1.677 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.293 -13.362 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.175 -14.914 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.204 -14.182 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.318 -13.599 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.245 -13.667 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.351 -12.303 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.594 -12.026 -0.571 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.229 -9.536 4.009 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.427 -8.455 4.967 1.00 0.00 C ATOM 1099 C LYS A 73 -8.671 -7.202 4.538 1.00 0.00 C ATOM 1100 O LYS A 73 -9.221 -6.101 4.542 1.00 0.00 O ATOM 1101 CB LYS A 73 -8.967 -8.890 6.360 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.850 -9.954 6.988 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.143 -9.360 7.523 1.00 0.00 C ATOM 1104 CE LYS A 73 -12.243 -10.407 7.610 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.587 -9.787 7.773 1.00 0.00 N ATOM 0 H LYS A 73 -8.782 -10.367 4.397 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.491 -8.222 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.947 -9.269 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.942 -8.018 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.079 -10.721 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.311 -10.444 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.967 -8.932 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.466 -8.545 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.233 -11.020 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.046 -11.072 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.309 -10.533 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.605 -9.222 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.787 -9.172 6.959 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.407 -7.377 4.168 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.575 -6.261 3.734 1.00 0.00 C ATOM 1121 C ASP A 74 -7.303 -5.413 2.695 1.00 0.00 C ATOM 1122 O ASP A 74 -7.202 -4.187 2.699 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.255 -6.774 3.158 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.339 -7.340 4.224 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.830 -8.096 5.089 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.130 -7.028 4.194 1.00 0.00 O ATOM 0 H ASP A 74 -6.936 -8.282 4.160 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.364 -5.638 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.461 -7.544 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.747 -5.960 2.641 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.035 -6.076 1.806 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.780 -5.383 0.762 1.00 0.00 C ATOM 1133 C ALA A 75 -9.568 -4.210 1.336 1.00 0.00 C ATOM 1134 O ALA A 75 -10.472 -4.396 2.150 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.714 -6.351 0.050 1.00 0.00 C ATOM 0 H ALA A 75 -8.128 -7.092 1.788 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.065 -4.988 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.264 -5.821 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.131 -7.153 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.417 -6.773 0.768 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.219 -3.002 0.906 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.903 -1.816 1.388 1.00 0.00 C ATOM 1143 C GLY A 76 -9.476 -0.561 0.654 1.00 0.00 C ATOM 1144 O GLY A 76 -8.840 -0.636 -0.397 1.00 0.00 O ATOM 0 H GLY A 76 -8.475 -2.823 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.979 -1.950 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.706 -1.695 2.453 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.827 0.595 1.208 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.477 1.872 0.596 1.00 0.00 C ATOM 1150 C GLU A 77 -8.243 2.475 1.261 1.00 0.00 C ATOM 1151 O GLU A 77 -8.169 2.567 2.487 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.651 2.848 0.693 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.714 3.842 -0.454 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.654 4.998 -0.174 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.314 5.846 0.678 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.729 5.056 -0.806 1.00 0.00 O ATOM 0 H GLU A 77 -10.353 0.674 2.078 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.250 1.692 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.582 2.281 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.581 3.395 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.714 4.231 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.037 3.327 -1.359 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.278 2.883 0.445 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.046 3.474 0.954 1.00 0.00 C ATOM 1165 C TYR A 78 -6.004 4.973 0.672 1.00 0.00 C ATOM 1166 O TYR A 78 -5.688 5.400 -0.439 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.831 2.791 0.325 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.665 1.347 0.741 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.302 0.326 0.047 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.870 1.004 1.828 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.154 -0.994 0.424 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.715 -0.315 2.211 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.360 -1.310 1.506 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.208 -2.624 1.884 1.00 0.00 O ATOM 0 H TYR A 78 -7.325 2.815 -0.572 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.020 3.325 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.919 2.840 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.932 3.344 0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.924 0.569 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.365 1.781 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.658 -1.775 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.093 -0.565 3.057 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.579 -2.678 2.633 1.00 0.00 H new ATOM 1184 N THR A 79 -6.326 5.769 1.687 1.00 0.00 N ATOM 1185 CA THR A 79 -6.326 7.220 1.551 1.00 0.00 C ATOM 1186 C THR A 79 -4.998 7.815 2.006 1.00 0.00 C ATOM 1187 O THR A 79 -4.669 7.789 3.192 1.00 0.00 O ATOM 1188 CB THR A 79 -7.467 7.861 2.362 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.733 7.393 1.881 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.413 9.378 2.269 1.00 0.00 C ATOM 0 H THR A 79 -6.590 5.433 2.613 1.00 0.00 H new ATOM 0 HA THR A 79 -6.476 7.438 0.493 1.00 0.00 H new ATOM 0 HB THR A 79 -7.346 7.573 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.453 7.804 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.229 9.807 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.461 9.733 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.510 9.682 1.227 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.239 8.351 1.056 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.946 8.953 1.360 1.00 0.00 C ATOM 1200 C CYS A 80 -3.092 10.447 1.631 1.00 0.00 C ATOM 1201 O CYS A 80 -3.094 11.258 0.705 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.970 8.725 0.205 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.423 9.649 0.353 1.00 0.00 S ATOM 0 H CYS A 80 -4.497 8.381 0.070 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.553 8.476 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.741 7.661 0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.458 9.002 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 80 0.337 9.389 -0.669 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.216 10.803 2.906 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.366 12.200 3.297 1.00 0.00 C ATOM 1211 C GLU A 81 -2.010 12.898 3.350 1.00 0.00 C ATOM 1212 O GLU A 81 -1.268 12.766 4.324 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.057 12.300 4.659 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.913 13.545 4.817 1.00 0.00 C ATOM 1215 CD GLU A 81 -4.977 14.031 6.252 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.348 13.229 7.134 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.657 15.214 6.492 1.00 0.00 O ATOM 0 H GLU A 81 -3.216 10.144 3.685 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.982 12.697 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.682 11.419 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.300 12.288 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.513 14.339 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.922 13.335 4.463 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.692 13.641 2.295 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.426 14.361 2.220 1.00 0.00 C ATOM 1226 C VAL A 82 -0.564 15.775 2.773 1.00 0.00 C ATOM 1227 O VAL A 82 -1.644 16.181 3.201 1.00 0.00 O ATOM 1228 CB VAL A 82 0.092 14.437 0.771 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.606 15.556 0.013 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.600 14.630 0.754 1.00 0.00 C ATOM 0 H VAL A 82 -2.294 13.760 1.480 1.00 0.00 H new ATOM 0 HA VAL A 82 0.290 13.805 2.825 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.136 13.495 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.228 15.595 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.680 15.369 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.412 16.507 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.949 14.681 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.854 15.556 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.080 13.791 1.258 1.00 0.00 H new ATOM 1240 N GLU A 83 0.537 16.520 2.761 1.00 0.00 N ATOM 1241 CA GLU A 83 0.538 17.889 3.262 1.00 0.00 C ATOM 1242 C GLU A 83 -0.835 18.533 3.088 1.00 0.00 C ATOM 1243 O GLU A 83 -1.546 18.777 4.062 1.00 0.00 O ATOM 1244 CB GLU A 83 1.599 18.720 2.539 1.00 0.00 C ATOM 1245 CG GLU A 83 1.952 18.189 1.160 1.00 0.00 C ATOM 1246 CD GLU A 83 2.483 19.268 0.237 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.520 19.878 0.573 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.863 19.504 -0.821 1.00 0.00 O ATOM 0 H GLU A 83 1.439 16.198 2.410 1.00 0.00 H new ATOM 0 HA GLU A 83 0.774 17.859 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.243 19.746 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.502 18.752 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.699 17.401 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.068 17.736 0.712 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.198 18.807 1.839 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.485 19.421 1.536 1.00 0.00 C ATOM 1257 C ALA A 84 -3.278 18.574 0.547 1.00 0.00 C ATOM 1258 O ALA A 84 -4.509 18.594 0.545 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.283 20.826 0.986 1.00 0.00 C ATOM 0 H ALA A 84 -0.619 18.614 1.021 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.057 19.483 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.252 21.273 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.764 21.435 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.688 20.778 0.074 1.00 0.00 H new ATOM 1265 N SER A 85 -2.566 17.830 -0.293 1.00 0.00 N ATOM 1266 CA SER A 85 -3.204 16.978 -1.290 1.00 0.00 C ATOM 1267 C SER A 85 -3.655 15.659 -0.670 1.00 0.00 C ATOM 1268 O SER A 85 -3.480 15.430 0.527 1.00 0.00 O ATOM 1269 CB SER A 85 -2.244 16.708 -2.450 1.00 0.00 C ATOM 1270 OG SER A 85 -2.382 17.687 -3.465 1.00 0.00 O ATOM 0 H SER A 85 -1.546 17.800 -0.303 1.00 0.00 H new ATOM 0 HA SER A 85 -4.083 17.500 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.218 16.703 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.439 15.719 -2.865 1.00 0.00 H new ATOM 0 HG SER A 85 -2.484 17.245 -4.334 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.236 14.794 -1.494 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.712 13.496 -1.029 1.00 0.00 C ATOM 1278 C LYS A 86 -4.877 12.528 -2.196 1.00 0.00 C ATOM 1279 O LYS A 86 -4.986 12.943 -3.349 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.043 13.653 -0.290 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.210 12.689 0.872 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.677 12.443 1.185 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.402 13.740 1.512 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.789 13.494 1.993 1.00 0.00 N ATOM 0 H LYS A 86 -4.389 14.968 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.969 13.088 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.125 14.674 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.861 13.504 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.724 11.743 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.711 13.091 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.156 11.962 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.760 11.756 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.845 14.285 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.432 14.373 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.249 14.402 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.329 12.996 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.760 12.911 2.854 1.00 0.00 H new ATOM 1298 N SER A 87 -4.894 11.235 -1.888 1.00 0.00 N ATOM 1299 CA SER A 87 -5.044 10.207 -2.912 1.00 0.00 C ATOM 1300 C SER A 87 -5.870 9.036 -2.389 1.00 0.00 C ATOM 1301 O SER A 87 -5.582 8.481 -1.328 1.00 0.00 O ATOM 1302 CB SER A 87 -3.671 9.713 -3.372 1.00 0.00 C ATOM 1303 OG SER A 87 -3.763 8.425 -3.957 1.00 0.00 O ATOM 0 H SER A 87 -4.806 10.874 -0.938 1.00 0.00 H new ATOM 0 HA SER A 87 -5.567 10.647 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.251 10.414 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.989 9.682 -2.523 1.00 0.00 H new ATOM 0 HG SER A 87 -4.444 8.434 -4.661 1.00 0.00 H new ATOM 1309 N THR A 88 -6.900 8.663 -3.143 1.00 0.00 N ATOM 1310 CA THR A 88 -7.769 7.559 -2.757 1.00 0.00 C ATOM 1311 C THR A 88 -7.700 6.424 -3.772 1.00 0.00 C ATOM 1312 O THR A 88 -7.554 6.659 -4.971 1.00 0.00 O ATOM 1313 CB THR A 88 -9.233 8.019 -2.617 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.300 9.201 -1.812 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.086 6.925 -1.994 1.00 0.00 C ATOM 0 H THR A 88 -7.152 9.110 -4.025 1.00 0.00 H new ATOM 0 HA THR A 88 -7.414 7.201 -1.791 1.00 0.00 H new ATOM 0 HB THR A 88 -9.620 8.236 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.233 9.488 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.115 7.272 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.056 6.037 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.699 6.681 -1.005 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.806 5.192 -3.284 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.758 4.020 -4.149 1.00 0.00 C ATOM 1325 C ALA A 89 -8.509 2.848 -3.528 1.00 0.00 C ATOM 1326 O ALA A 89 -8.826 2.862 -2.339 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.314 3.634 -4.435 1.00 0.00 C ATOM 0 H ALA A 89 -7.926 4.980 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.248 4.273 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.293 2.757 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.807 4.462 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.806 3.406 -3.498 1.00 0.00 H new ATOM 1333 N SER A 90 -8.791 1.834 -4.341 1.00 0.00 N ATOM 1334 CA SER A 90 -9.509 0.655 -3.871 1.00 0.00 C ATOM 1335 C SER A 90 -8.725 -0.617 -4.180 1.00 0.00 C ATOM 1336 O SER A 90 -8.393 -0.891 -5.334 1.00 0.00 O ATOM 1337 CB SER A 90 -10.894 0.585 -4.518 1.00 0.00 C ATOM 1338 OG SER A 90 -10.819 0.043 -5.825 1.00 0.00 O ATOM 0 H SER A 90 -8.533 1.806 -5.327 1.00 0.00 H new ATOM 0 HA SER A 90 -9.624 0.736 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.555 -0.027 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.331 1.583 -4.559 1.00 0.00 H new ATOM 0 HG SER A 90 -10.521 0.736 -6.450 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.433 -1.391 -3.141 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.689 -2.635 -3.299 1.00 0.00 C ATOM 1346 C LEU A 91 -8.635 -3.816 -3.494 1.00 0.00 C ATOM 1347 O LEU A 91 -9.716 -3.861 -2.905 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.797 -2.878 -2.081 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.363 -4.325 -1.843 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.403 -4.780 -2.932 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.722 -4.471 -0.470 1.00 0.00 C ATOM 0 H LEU A 91 -8.700 -1.179 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.064 -2.544 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.902 -2.264 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.325 -2.528 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.248 -4.960 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.105 -5.812 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.895 -4.714 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.520 -4.141 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.419 -5.507 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.847 -3.824 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.440 -4.186 0.299 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.221 -4.770 -4.321 1.00 0.00 N ATOM 1364 CA HIS A 92 -9.031 -5.953 -4.590 1.00 0.00 C ATOM 1365 C HIS A 92 -8.238 -7.228 -4.319 1.00 0.00 C ATOM 1366 O HIS A 92 -7.084 -7.353 -4.729 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.521 -5.942 -6.038 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.130 -4.638 -6.455 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.665 -3.667 -7.275 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.364 -4.209 -6.015 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.619 -2.679 -7.316 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.634 -3.031 -6.548 1.00 0.00 N flip ATOM 0 H HIS A 92 -7.330 -4.747 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.892 -5.933 -3.922 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.684 -6.170 -6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.256 -6.736 -6.170 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.773 -3.668 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.009 -4.751 -5.340 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.550 -1.763 -7.884 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.865 -8.172 -3.624 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.218 -9.438 -3.298 1.00 0.00 C ATOM 1383 C VAL A 93 -9.161 -10.613 -3.531 1.00 0.00 C ATOM 1384 O VAL A 93 -10.100 -10.829 -2.766 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.738 -9.462 -1.835 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.165 -10.827 -1.483 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.711 -8.366 -1.594 1.00 0.00 C ATOM 0 H VAL A 93 -9.820 -8.084 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.355 -9.532 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.594 -9.276 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.831 -10.825 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.933 -11.589 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.320 -11.046 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.382 -8.397 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.854 -8.519 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.159 -7.395 -1.804 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.903 -11.370 -4.593 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.729 -12.524 -4.927 1.00 0.00 C ATOM 1399 C GLU A 94 -8.884 -13.791 -5.016 1.00 0.00 C ATOM 1400 O GLU A 94 -7.846 -13.812 -5.675 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.459 -12.290 -6.252 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.605 -11.299 -6.149 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.688 -11.550 -7.181 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.357 -11.622 -8.383 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.866 -11.674 -6.786 1.00 0.00 O ATOM 0 H GLU A 94 -8.129 -11.205 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.464 -12.654 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.744 -11.930 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.845 -13.242 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.040 -11.354 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.218 -10.288 -6.273 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.338 -14.846 -4.346 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.623 -16.117 -4.347 1.00 0.00 C ATOM 1414 C GLU A 95 -8.856 -16.870 -5.654 1.00 0.00 C ATOM 1415 O GLU A 95 -9.930 -16.786 -6.250 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.066 -16.978 -3.163 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.043 -18.024 -2.754 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.567 -18.970 -1.692 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.644 -19.564 -1.905 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.899 -19.116 -0.646 1.00 0.00 O ATOM 0 H GLU A 95 -10.197 -14.846 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.558 -15.906 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.272 -16.330 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.001 -17.477 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.746 -18.598 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.148 -17.525 -2.381 1.00 0.00 H new