USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 108 HIS : no HD1:sc= 0 X(o=-0.26,f=-0.26) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 150:sc= -0.258 (180deg=-0.954) USER MOD Set 2.1: A 86 TYR OH : rot 30:sc= -0.311 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 158:sc= 0.012 (180deg=0) USER MOD Set 3.1: A 22 MET CE :methyl -123:sc= -6.81! (180deg=-10.5!) USER MOD Set 3.2: A 74 ASN : amide:sc= -0.273 X(o=-7.8,f=-7.5) USER MOD Set 3.3: A 77 TYR OH : rot 15:sc= -0.732 USER MOD Set 4.1: A 37 CYS SG : rot 170:sc= 0 USER MOD Set 4.2: A 39 HIS :FLIP no HD1:sc= 0.0202 F(o=-2.4,f=-1.6) USER MOD Set 4.3: A 40 CYS SG : rot -100:sc= -1.67 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.123 (180deg=-0.424) USER MOD Single : A 33 TYR OH : rot -132:sc= 0.591 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 47 TYR OH : rot 165:sc= -1.41! USER MOD Single : A 48 THR OG1 : rot 61:sc= 0.392 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0887) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -1.48 (180deg=-3.72!) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= -0.0242 (180deg=-0.0305) USER MOD Single : A 65 MET CE :methyl 142:sc= -0.277 (180deg=-2.27!) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.973 K(o=0.97,f=-3.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 90 SER OG : rot 3:sc= 1.04 USER MOD Single : A 93 LYS NZ :NH3+ -108:sc= -4.4! (180deg=-7.42!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.23 F(o=-2.3,f=-1.2) USER MOD Single : A 110 SER OG : rot -98:sc= 0.488 USER MOD Single : A 116 HIS : no HE2:sc= -12.3! C(o=-12!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.946 4.066 -12.720 1.00 0.00 N ATOM 67 CA PRO A 8 7.988 2.641 -12.377 1.00 0.00 C ATOM 68 C PRO A 8 6.727 2.182 -11.653 1.00 0.00 C ATOM 69 O PRO A 8 6.296 1.038 -11.802 1.00 0.00 O ATOM 70 CB PRO A 8 9.204 2.535 -11.454 1.00 0.00 C ATOM 71 CG PRO A 8 9.351 3.894 -10.862 1.00 0.00 C ATOM 72 CD PRO A 8 8.897 4.858 -11.923 1.00 0.00 C ATOM 0 HA PRO A 8 8.052 2.009 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.050 1.781 -10.682 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.097 2.246 -12.008 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.748 3.994 -9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.385 4.086 -10.577 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.422 5.738 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.732 5.212 -12.528 1.00 0.00 H new ATOM 80 N VAL A 9 6.139 3.080 -10.869 1.00 0.00 N ATOM 81 CA VAL A 9 4.927 2.767 -10.123 1.00 0.00 C ATOM 82 C VAL A 9 3.688 2.922 -10.998 1.00 0.00 C ATOM 83 O VAL A 9 3.439 3.990 -11.558 1.00 0.00 O ATOM 84 CB VAL A 9 4.782 3.668 -8.883 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.528 3.305 -8.102 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.018 3.564 -8.002 1.00 0.00 C ATOM 0 H VAL A 9 6.483 4.031 -10.734 1.00 0.00 H new ATOM 0 HA VAL A 9 5.013 1.729 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 9 4.687 4.702 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.443 3.952 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.653 3.436 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.589 2.266 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.899 4.207 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.147 2.532 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.895 3.878 -8.567 1.00 0.00 H new ATOM 96 N LYS A 10 2.912 1.850 -11.111 1.00 0.00 N ATOM 97 CA LYS A 10 1.696 1.866 -11.916 1.00 0.00 C ATOM 98 C LYS A 10 0.556 2.549 -11.167 1.00 0.00 C ATOM 99 O LYS A 10 0.405 2.379 -9.958 1.00 0.00 O ATOM 100 CB LYS A 10 1.290 0.439 -12.292 1.00 0.00 C ATOM 101 CG LYS A 10 -0.203 0.270 -12.511 1.00 0.00 C ATOM 102 CD LYS A 10 -0.504 -0.923 -13.403 1.00 0.00 C ATOM 103 CE LYS A 10 -0.518 -0.531 -14.873 1.00 0.00 C ATOM 104 NZ LYS A 10 -0.207 -1.687 -15.758 1.00 0.00 N ATOM 0 H LYS A 10 3.103 0.958 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 10 1.900 2.431 -12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.817 0.147 -13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.613 -0.241 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.700 0.141 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.610 1.175 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.244 -1.699 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.470 -1.349 -13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.497 -0.128 -15.132 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.209 0.263 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.226 -1.379 -16.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.738 -2.056 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.915 -2.435 -15.614 1.00 0.00 H new ATOM 118 N VAL A 11 -0.244 3.323 -11.895 1.00 0.00 N ATOM 119 CA VAL A 11 -1.371 4.030 -11.300 1.00 0.00 C ATOM 120 C VAL A 11 -2.667 3.247 -11.478 1.00 0.00 C ATOM 121 O VAL A 11 -2.943 2.719 -12.555 1.00 0.00 O ATOM 122 CB VAL A 11 -1.543 5.431 -11.915 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.191 6.019 -12.291 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.463 5.373 -13.125 1.00 0.00 C ATOM 0 H VAL A 11 -0.132 3.476 -12.897 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.154 4.132 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.001 6.082 -11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.333 7.009 -12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.432 6.098 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.298 5.371 -13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.573 6.372 -13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.036 4.708 -13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.440 4.998 -12.821 1.00 0.00 H new ATOM 134 N VAL A 12 -3.460 3.175 -10.413 1.00 0.00 N ATOM 135 CA VAL A 12 -4.729 2.458 -10.452 1.00 0.00 C ATOM 136 C VAL A 12 -5.888 3.370 -10.068 1.00 0.00 C ATOM 137 O VAL A 12 -5.795 4.143 -9.114 1.00 0.00 O ATOM 138 CB VAL A 12 -4.714 1.241 -9.508 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.076 0.564 -9.487 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.628 0.259 -9.922 1.00 0.00 C ATOM 0 H VAL A 12 -3.246 3.604 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.866 2.113 -11.477 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.492 1.589 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.046 -0.293 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.829 1.272 -9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.331 0.228 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.632 -0.595 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.817 -0.084 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.657 0.752 -9.880 1.00 0.00 H new ATOM 150 N VAL A 13 -6.981 3.276 -10.818 1.00 0.00 N ATOM 151 CA VAL A 13 -8.161 4.092 -10.556 1.00 0.00 C ATOM 152 C VAL A 13 -9.294 3.250 -9.980 1.00 0.00 C ATOM 153 O VAL A 13 -9.137 2.053 -9.749 1.00 0.00 O ATOM 154 CB VAL A 13 -8.655 4.792 -11.836 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.637 5.817 -12.311 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.942 3.769 -12.925 1.00 0.00 C ATOM 0 H VAL A 13 -7.074 2.643 -11.612 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.868 4.848 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.583 5.316 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.003 6.301 -13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.486 6.567 -11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.691 5.319 -12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.290 4.281 -13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.031 3.215 -13.153 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.711 3.077 -12.581 1.00 0.00 H new ATOM 166 N GLY A 14 -10.439 3.887 -9.751 1.00 0.00 N ATOM 167 CA GLY A 14 -11.584 3.181 -9.205 1.00 0.00 C ATOM 168 C GLY A 14 -12.235 2.260 -10.217 1.00 0.00 C ATOM 169 O GLY A 14 -13.052 1.411 -9.860 1.00 0.00 O ATOM 0 H GLY A 14 -10.594 4.878 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.269 2.599 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.319 3.905 -8.852 1.00 0.00 H new ATOM 173 N LYS A 15 -11.874 2.427 -11.485 1.00 0.00 N ATOM 174 CA LYS A 15 -12.428 1.605 -12.554 1.00 0.00 C ATOM 175 C LYS A 15 -11.553 0.382 -12.809 1.00 0.00 C ATOM 176 O LYS A 15 -11.986 -0.584 -13.438 1.00 0.00 O ATOM 177 CB LYS A 15 -12.564 2.425 -13.838 1.00 0.00 C ATOM 178 CG LYS A 15 -11.332 2.373 -14.726 1.00 0.00 C ATOM 179 CD LYS A 15 -11.179 3.645 -15.543 1.00 0.00 C ATOM 180 CE LYS A 15 -9.902 3.626 -16.370 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.693 4.909 -17.096 1.00 0.00 N ATOM 0 H LYS A 15 -11.199 3.125 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.415 1.265 -12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.424 2.062 -14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.770 3.463 -13.576 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.445 2.226 -14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.401 1.516 -15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.039 3.761 -16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.170 4.508 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.050 3.435 -15.718 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.946 2.806 -17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.813 4.856 -17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.494 5.080 -17.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.626 5.689 -16.411 1.00 0.00 H new ATOM 195 N THR A 16 -10.320 0.429 -12.315 1.00 0.00 N ATOM 196 CA THR A 16 -9.384 -0.675 -12.489 1.00 0.00 C ATOM 197 C THR A 16 -8.751 -1.073 -11.161 1.00 0.00 C ATOM 198 O THR A 16 -7.656 -1.636 -11.127 1.00 0.00 O ATOM 199 CB THR A 16 -8.269 -0.314 -13.488 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.423 0.700 -12.933 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.858 0.174 -14.803 1.00 0.00 C ATOM 0 H THR A 16 -9.946 1.220 -11.791 1.00 0.00 H new ATOM 0 HA THR A 16 -9.956 -1.515 -12.882 1.00 0.00 H new ATOM 0 HB THR A 16 -7.681 -1.211 -13.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.716 0.923 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.052 0.423 -15.493 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.478 -0.610 -15.237 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.467 1.060 -14.622 1.00 0.00 H new ATOM 209 N PHE A 17 -9.447 -0.780 -10.067 1.00 0.00 N ATOM 210 CA PHE A 17 -8.952 -1.108 -8.735 1.00 0.00 C ATOM 211 C PHE A 17 -9.230 -2.569 -8.396 1.00 0.00 C ATOM 212 O PHE A 17 -8.354 -3.281 -7.905 1.00 0.00 O ATOM 213 CB PHE A 17 -9.599 -0.198 -7.689 1.00 0.00 C ATOM 214 CG PHE A 17 -9.264 -0.577 -6.275 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.952 -1.596 -5.636 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.262 0.085 -5.585 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.646 -1.948 -4.335 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.951 -0.263 -4.284 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.645 -1.280 -3.658 1.00 0.00 C ATOM 0 H PHE A 17 -10.355 -0.316 -10.077 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.874 -0.950 -8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.281 0.829 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.681 -0.223 -7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.736 -2.121 -6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.717 0.882 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.189 -2.745 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.166 0.260 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.405 -1.552 -2.641 1.00 0.00 H new ATOM 229 N ASP A 18 -10.455 -3.009 -8.662 1.00 0.00 N ATOM 230 CA ASP A 18 -10.850 -4.385 -8.386 1.00 0.00 C ATOM 231 C ASP A 18 -10.209 -5.345 -9.383 1.00 0.00 C ATOM 232 O ASP A 18 -10.284 -6.563 -9.223 1.00 0.00 O ATOM 233 CB ASP A 18 -12.373 -4.521 -8.435 1.00 0.00 C ATOM 234 CG ASP A 18 -13.027 -4.200 -7.105 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.669 -3.167 -6.502 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.896 -4.983 -6.669 1.00 0.00 O ATOM 0 H ASP A 18 -11.192 -2.432 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.502 -4.643 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.770 -3.855 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.635 -5.537 -8.729 1.00 0.00 H new ATOM 241 N ALA A 19 -9.580 -4.787 -10.412 1.00 0.00 N ATOM 242 CA ALA A 19 -8.925 -5.593 -11.435 1.00 0.00 C ATOM 243 C ALA A 19 -7.426 -5.699 -11.174 1.00 0.00 C ATOM 244 O ALA A 19 -6.829 -6.762 -11.351 1.00 0.00 O ATOM 245 CB ALA A 19 -9.182 -5.006 -12.815 1.00 0.00 C ATOM 0 H ALA A 19 -9.510 -3.780 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.346 -6.598 -11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.687 -5.618 -13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.254 -4.988 -13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.789 -3.990 -12.857 1.00 0.00 H new ATOM 251 N ILE A 20 -6.824 -4.592 -10.753 1.00 0.00 N ATOM 252 CA ILE A 20 -5.395 -4.562 -10.467 1.00 0.00 C ATOM 253 C ILE A 20 -5.127 -4.766 -8.980 1.00 0.00 C ATOM 254 O ILE A 20 -4.599 -5.800 -8.570 1.00 0.00 O ATOM 255 CB ILE A 20 -4.760 -3.232 -10.914 1.00 0.00 C ATOM 256 CG1 ILE A 20 -5.000 -3.003 -12.408 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.270 -3.226 -10.605 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.756 -1.576 -12.847 1.00 0.00 C ATOM 0 H ILE A 20 -7.303 -3.704 -10.602 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.943 -5.379 -11.030 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.230 -2.419 -10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.350 -3.666 -12.978 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.027 -3.278 -12.649 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.835 -2.280 -10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.120 -3.348 -9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.785 -4.046 -11.134 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.945 -1.487 -13.917 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.425 -0.909 -12.303 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.722 -1.303 -12.637 1.00 0.00 H new ATOM 270 N VAL A 21 -5.496 -3.774 -8.176 1.00 0.00 N ATOM 271 CA VAL A 21 -5.299 -3.846 -6.733 1.00 0.00 C ATOM 272 C VAL A 21 -5.896 -5.126 -6.160 1.00 0.00 C ATOM 273 O VAL A 21 -5.432 -5.637 -5.141 1.00 0.00 O ATOM 274 CB VAL A 21 -5.927 -2.634 -6.020 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.692 -2.716 -4.520 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.370 -1.336 -6.585 1.00 0.00 C ATOM 0 H VAL A 21 -5.933 -2.911 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.223 -3.842 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.003 -2.648 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.143 -1.851 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.144 -3.628 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.621 -2.728 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.825 -0.490 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.290 -1.310 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.596 -1.276 -7.650 1.00 0.00 H new ATOM 286 N MET A 22 -6.929 -5.638 -6.821 1.00 0.00 N ATOM 287 CA MET A 22 -7.589 -6.861 -6.378 1.00 0.00 C ATOM 288 C MET A 22 -7.331 -8.004 -7.354 1.00 0.00 C ATOM 289 O MET A 22 -8.219 -8.810 -7.629 1.00 0.00 O ATOM 290 CB MET A 22 -9.095 -6.628 -6.233 1.00 0.00 C ATOM 291 CG MET A 22 -9.448 -5.542 -5.230 1.00 0.00 C ATOM 292 SD MET A 22 -9.280 -6.092 -3.521 1.00 0.00 S ATOM 293 CE MET A 22 -8.517 -4.653 -2.776 1.00 0.00 C ATOM 0 H MET A 22 -7.327 -5.225 -7.665 1.00 0.00 H new ATOM 0 HA MET A 22 -7.175 -7.137 -5.408 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.508 -6.361 -7.206 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.571 -7.560 -5.929 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.804 -4.678 -5.394 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.473 -5.213 -5.402 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.575 -4.941 -2.309 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.327 -3.903 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.184 -4.237 -2.021 1.00 0.00 H new ATOM 303 N ASP A 23 -6.111 -8.066 -7.875 1.00 0.00 N ATOM 304 CA ASP A 23 -5.735 -9.111 -8.821 1.00 0.00 C ATOM 305 C ASP A 23 -5.218 -10.345 -8.089 1.00 0.00 C ATOM 306 O ASP A 23 -4.125 -10.348 -7.521 1.00 0.00 O ATOM 307 CB ASP A 23 -4.671 -8.593 -9.790 1.00 0.00 C ATOM 308 CG ASP A 23 -4.700 -9.316 -11.122 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.491 -10.273 -11.261 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.934 -8.925 -12.026 1.00 0.00 O ATOM 0 H ASP A 23 -5.365 -7.405 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.623 -9.392 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.823 -7.526 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.686 -8.708 -9.339 1.00 0.00 H new ATOM 315 N PRO A 24 -6.020 -11.420 -8.101 1.00 0.00 N ATOM 316 CA PRO A 24 -5.664 -12.681 -7.443 1.00 0.00 C ATOM 317 C PRO A 24 -4.523 -13.403 -8.151 1.00 0.00 C ATOM 318 O PRO A 24 -4.149 -14.514 -7.775 1.00 0.00 O ATOM 319 CB PRO A 24 -6.952 -13.502 -7.530 1.00 0.00 C ATOM 320 CG PRO A 24 -7.673 -12.953 -8.712 1.00 0.00 C ATOM 321 CD PRO A 24 -7.336 -11.488 -8.758 1.00 0.00 C ATOM 0 HA PRO A 24 -5.311 -12.523 -6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.737 -14.563 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.547 -13.402 -6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.360 -13.455 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.748 -13.103 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.293 -11.117 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.079 -10.888 -8.233 1.00 0.00 H new ATOM 329 N LYS A 25 -3.973 -12.765 -9.179 1.00 0.00 N ATOM 330 CA LYS A 25 -2.872 -13.344 -9.940 1.00 0.00 C ATOM 331 C LYS A 25 -1.527 -12.942 -9.344 1.00 0.00 C ATOM 332 O LYS A 25 -0.496 -13.539 -9.653 1.00 0.00 O ATOM 333 CB LYS A 25 -2.947 -12.901 -11.402 1.00 0.00 C ATOM 334 CG LYS A 25 -4.162 -13.438 -12.139 1.00 0.00 C ATOM 335 CD LYS A 25 -3.878 -13.626 -13.620 1.00 0.00 C ATOM 336 CE LYS A 25 -5.162 -13.808 -14.415 1.00 0.00 C ATOM 337 NZ LYS A 25 -5.012 -13.348 -15.824 1.00 0.00 N ATOM 0 H LYS A 25 -4.272 -11.846 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.961 -14.429 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.960 -11.812 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.045 -13.229 -11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.463 -14.390 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.999 -12.751 -12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.333 -12.762 -14.000 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.235 -14.495 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.449 -14.859 -14.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.968 -13.253 -13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.908 -13.489 -16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.762 -12.338 -15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.260 -13.895 -16.290 1.00 0.00 H new ATOM 351 N LYS A 26 -1.545 -11.927 -8.487 1.00 0.00 N ATOM 352 CA LYS A 26 -0.327 -11.446 -7.845 1.00 0.00 C ATOM 353 C LYS A 26 -0.648 -10.388 -6.794 1.00 0.00 C ATOM 354 O LYS A 26 -1.627 -9.652 -6.918 1.00 0.00 O ATOM 355 CB LYS A 26 0.631 -10.869 -8.889 1.00 0.00 C ATOM 356 CG LYS A 26 0.056 -9.692 -9.658 1.00 0.00 C ATOM 357 CD LYS A 26 1.151 -8.850 -10.292 1.00 0.00 C ATOM 358 CE LYS A 26 0.759 -8.383 -11.685 1.00 0.00 C ATOM 359 NZ LYS A 26 -0.139 -7.196 -11.640 1.00 0.00 N ATOM 0 H LYS A 26 -2.390 -11.421 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 26 0.151 -12.291 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.549 -10.554 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.903 -11.655 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.618 -10.057 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.537 -9.072 -8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.357 -7.985 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.072 -9.431 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.657 -8.138 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.261 -9.196 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.180 -6.756 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.094 -7.494 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.229 -6.508 -10.952 1.00 0.00 H new ATOM 373 N ASP A 27 0.184 -10.316 -5.761 1.00 0.00 N ATOM 374 CA ASP A 27 -0.009 -9.345 -4.689 1.00 0.00 C ATOM 375 C ASP A 27 0.321 -7.935 -5.168 1.00 0.00 C ATOM 376 O ASP A 27 1.439 -7.662 -5.605 1.00 0.00 O ATOM 377 CB ASP A 27 0.860 -9.705 -3.483 1.00 0.00 C ATOM 378 CG ASP A 27 0.839 -11.190 -3.177 1.00 0.00 C ATOM 379 OD1 ASP A 27 -0.060 -11.888 -3.689 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.722 -11.653 -2.425 1.00 0.00 O ATOM 0 H ASP A 27 0.999 -10.918 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.057 -9.372 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.886 -9.390 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.512 -9.152 -2.610 1.00 0.00 H new ATOM 385 N VAL A 28 -0.660 -7.042 -5.082 1.00 0.00 N ATOM 386 CA VAL A 28 -0.474 -5.659 -5.506 1.00 0.00 C ATOM 387 C VAL A 28 -0.494 -4.711 -4.312 1.00 0.00 C ATOM 388 O VAL A 28 -1.419 -4.739 -3.498 1.00 0.00 O ATOM 389 CB VAL A 28 -1.561 -5.228 -6.508 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.451 -3.741 -6.809 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.463 -6.048 -7.785 1.00 0.00 C ATOM 0 H VAL A 28 -1.591 -7.251 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 28 0.500 -5.605 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.537 -5.412 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.227 -3.455 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.575 -3.173 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.472 -3.528 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.239 -5.730 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.484 -5.898 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.597 -7.104 -7.550 1.00 0.00 H new ATOM 401 N LEU A 29 0.531 -3.872 -4.213 1.00 0.00 N ATOM 402 CA LEU A 29 0.632 -2.913 -3.118 1.00 0.00 C ATOM 403 C LEU A 29 0.108 -1.545 -3.542 1.00 0.00 C ATOM 404 O LEU A 29 0.785 -0.805 -4.256 1.00 0.00 O ATOM 405 CB LEU A 29 2.083 -2.794 -2.650 1.00 0.00 C ATOM 406 CG LEU A 29 2.328 -1.886 -1.445 1.00 0.00 C ATOM 407 CD1 LEU A 29 1.964 -2.603 -0.154 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.777 -1.423 -1.410 1.00 0.00 C ATOM 0 H LEU A 29 1.304 -3.836 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 29 0.020 -3.276 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.448 -3.792 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.683 -2.428 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 29 1.690 -1.007 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.145 -1.941 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.911 -2.883 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.575 -3.500 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.932 -0.778 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.434 -2.290 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.004 -0.870 -2.321 1.00 0.00 H new ATOM 420 N ILE A 30 -1.100 -1.215 -3.096 1.00 0.00 N ATOM 421 CA ILE A 30 -1.712 0.065 -3.427 1.00 0.00 C ATOM 422 C ILE A 30 -1.392 1.117 -2.371 1.00 0.00 C ATOM 423 O ILE A 30 -1.487 0.856 -1.172 1.00 0.00 O ATOM 424 CB ILE A 30 -3.241 -0.061 -3.563 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.837 1.245 -4.093 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.863 -0.428 -2.224 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.390 1.588 -5.496 1.00 0.00 C ATOM 0 H ILE A 30 -1.673 -1.817 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.294 0.376 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.464 -0.856 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.924 1.172 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.560 2.059 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.944 -0.513 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.457 -1.380 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.634 0.347 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.852 2.526 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.305 1.693 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.690 0.793 -6.178 1.00 0.00 H new ATOM 439 N GLU A 31 -1.013 2.308 -2.825 1.00 0.00 N ATOM 440 CA GLU A 31 -0.680 3.400 -1.919 1.00 0.00 C ATOM 441 C GLU A 31 -1.519 4.637 -2.225 1.00 0.00 C ATOM 442 O GLU A 31 -1.326 5.293 -3.250 1.00 0.00 O ATOM 443 CB GLU A 31 0.808 3.741 -2.021 1.00 0.00 C ATOM 444 CG GLU A 31 1.171 5.078 -1.397 1.00 0.00 C ATOM 445 CD GLU A 31 2.587 5.510 -1.723 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.528 4.760 -1.385 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.756 6.596 -2.316 1.00 0.00 O ATOM 0 H GLU A 31 -0.929 2.540 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.902 3.075 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.386 2.955 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.099 3.749 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.474 5.839 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.055 5.013 -0.315 1.00 0.00 H new ATOM 454 N PHE A 32 -2.450 4.950 -1.331 1.00 0.00 N ATOM 455 CA PHE A 32 -3.320 6.107 -1.506 1.00 0.00 C ATOM 456 C PHE A 32 -2.573 7.401 -1.196 1.00 0.00 C ATOM 457 O PHE A 32 -2.291 7.706 -0.037 1.00 0.00 O ATOM 458 CB PHE A 32 -4.551 5.988 -0.604 1.00 0.00 C ATOM 459 CG PHE A 32 -5.215 4.642 -0.671 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.536 4.074 -1.893 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.518 3.946 0.488 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.146 2.835 -1.959 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.128 2.708 0.428 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.444 2.152 -0.796 1.00 0.00 C ATOM 0 H PHE A 32 -2.622 4.419 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.642 6.133 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.257 6.189 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.273 6.755 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.307 4.605 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.275 4.376 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.389 2.402 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.358 2.175 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.923 1.185 -0.844 1.00 0.00 H new ATOM 474 N TYR A 33 -2.255 8.158 -2.241 1.00 0.00 N ATOM 475 CA TYR A 33 -1.538 9.417 -2.082 1.00 0.00 C ATOM 476 C TYR A 33 -2.451 10.605 -2.372 1.00 0.00 C ATOM 477 O TYR A 33 -3.417 10.490 -3.126 1.00 0.00 O ATOM 478 CB TYR A 33 -0.323 9.457 -3.010 1.00 0.00 C ATOM 479 CG TYR A 33 -0.682 9.560 -4.475 1.00 0.00 C ATOM 480 CD1 TYR A 33 -0.927 10.795 -5.065 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.778 8.424 -5.269 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.257 10.894 -6.403 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.106 8.515 -6.608 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.345 9.752 -7.170 1.00 0.00 C ATOM 485 OH TYR A 33 -1.673 9.846 -8.503 1.00 0.00 O ATOM 0 H TYR A 33 -2.483 7.921 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.200 9.485 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.304 10.306 -2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.273 8.558 -2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.858 11.692 -4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.593 7.454 -4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.445 11.861 -6.846 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.175 7.622 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.377 9.198 -8.713 1.00 0.00 H new ATOM 495 N ALA A 34 -2.137 11.746 -1.767 1.00 0.00 N ATOM 496 CA ALA A 34 -2.927 12.955 -1.960 1.00 0.00 C ATOM 497 C ALA A 34 -2.094 14.057 -2.607 1.00 0.00 C ATOM 498 O ALA A 34 -1.037 14.443 -2.107 1.00 0.00 O ATOM 499 CB ALA A 34 -3.496 13.432 -0.632 1.00 0.00 C ATOM 0 H ALA A 34 -1.341 11.858 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.752 12.717 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.084 14.336 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.133 12.655 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.680 13.647 0.057 1.00 0.00 H new ATOM 505 N PRO A 35 -2.578 14.575 -3.745 1.00 0.00 N ATOM 506 CA PRO A 35 -1.893 15.640 -4.485 1.00 0.00 C ATOM 507 C PRO A 35 -1.929 16.974 -3.747 1.00 0.00 C ATOM 508 O PRO A 35 -1.385 17.971 -4.221 1.00 0.00 O ATOM 509 CB PRO A 35 -2.685 15.730 -5.792 1.00 0.00 C ATOM 510 CG PRO A 35 -4.042 15.217 -5.449 1.00 0.00 C ATOM 511 CD PRO A 35 -3.832 14.162 -4.398 1.00 0.00 C ATOM 0 HA PRO A 35 -0.834 15.422 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.730 16.756 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.222 15.132 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.679 16.019 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.535 14.800 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.661 14.129 -3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.748 13.168 -4.838 1.00 0.00 H new ATOM 519 N TRP A 36 -2.573 16.985 -2.586 1.00 0.00 N ATOM 520 CA TRP A 36 -2.679 18.197 -1.782 1.00 0.00 C ATOM 521 C TRP A 36 -1.977 18.024 -0.440 1.00 0.00 C ATOM 522 O TRP A 36 -1.940 18.947 0.375 1.00 0.00 O ATOM 523 CB TRP A 36 -4.149 18.560 -1.560 1.00 0.00 C ATOM 524 CG TRP A 36 -5.010 17.376 -1.237 1.00 0.00 C ATOM 525 CD1 TRP A 36 -5.816 16.690 -2.100 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.152 16.742 0.039 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.451 15.667 -1.437 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.060 15.677 -0.124 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.599 16.969 1.302 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.426 14.844 0.930 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -4.964 16.141 2.347 1.00 0.00 C ATOM 532 CH2 TRP A 36 -5.869 15.089 2.156 1.00 0.00 C ATOM 0 H TRP A 36 -3.030 16.168 -2.180 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.190 19.006 -2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.219 19.284 -0.748 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.535 19.048 -2.455 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.937 16.918 -3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.107 15.007 -1.855 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.899 17.777 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.125 14.033 0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.544 16.308 3.328 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.132 14.459 2.993 1.00 0.00 H new ATOM 543 N CYS A 37 -1.422 16.838 -0.216 1.00 0.00 N ATOM 544 CA CYS A 37 -0.721 16.545 1.029 1.00 0.00 C ATOM 545 C CYS A 37 0.790 16.600 0.828 1.00 0.00 C ATOM 546 O CYS A 37 1.320 16.037 -0.129 1.00 0.00 O ATOM 547 CB CYS A 37 -1.128 15.168 1.555 1.00 0.00 C ATOM 548 SG CYS A 37 -0.607 14.844 3.256 1.00 0.00 S ATOM 0 H CYS A 37 -1.444 16.064 -0.880 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.999 17.303 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.212 15.074 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.704 14.403 0.905 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.174 13.755 3.684 1.00 0.00 H new ATOM 554 N GLY A 38 1.478 17.283 1.737 1.00 0.00 N ATOM 555 CA GLY A 38 2.921 17.401 1.641 1.00 0.00 C ATOM 556 C GLY A 38 3.636 16.135 2.071 1.00 0.00 C ATOM 557 O GLY A 38 4.641 15.747 1.474 1.00 0.00 O ATOM 0 H GLY A 38 1.062 17.757 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.195 17.638 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.257 18.233 2.261 1.00 0.00 H new ATOM 561 N HIS A 39 3.119 15.490 3.112 1.00 0.00 N ATOM 562 CA HIS A 39 3.715 14.260 3.622 1.00 0.00 C ATOM 563 C HIS A 39 3.799 13.202 2.527 1.00 0.00 C ATOM 564 O HIS A 39 4.475 12.184 2.685 1.00 0.00 O ATOM 565 CB HIS A 39 2.903 13.726 4.802 1.00 0.00 C ATOM 566 CG HIS A 39 2.727 14.721 5.908 1.00 0.00 C ATOM 567 ND1 HIS A 39 1.912 15.797 6.010 1.00 0.00 N flip ATOM 568 CD2 HIS A 39 3.443 14.672 7.085 1.00 0.00 C flip ATOM 569 CE1 HIS A 39 2.147 16.372 7.235 1.00 0.00 C flip ATOM 570 NE2 HIS A 39 3.075 15.674 7.864 1.00 0.00 N flip ATOM 0 H HIS A 39 2.289 15.798 3.619 1.00 0.00 H new ATOM 0 HA HIS A 39 4.726 14.488 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.921 13.414 4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.395 12.838 5.198 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.188 13.930 7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.653 17.252 7.621 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.445 15.874 8.793 1.00 0.00 H new ATOM 579 N CYS A 40 3.110 13.448 1.419 1.00 0.00 N ATOM 580 CA CYS A 40 3.105 12.515 0.298 1.00 0.00 C ATOM 581 C CYS A 40 4.138 12.919 -0.750 1.00 0.00 C ATOM 582 O CYS A 40 4.905 12.087 -1.234 1.00 0.00 O ATOM 583 CB CYS A 40 1.715 12.453 -0.336 1.00 0.00 C ATOM 584 SG CYS A 40 0.449 11.725 0.730 1.00 0.00 S ATOM 0 H CYS A 40 2.547 14.286 1.272 1.00 0.00 H new ATOM 0 HA CYS A 40 3.366 11.528 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.407 13.462 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.774 11.876 -1.259 1.00 0.00 H new ATOM 0 HG CYS A 40 0.251 10.487 0.385 1.00 0.00 H new ATOM 590 N LYS A 41 4.150 14.201 -1.097 1.00 0.00 N ATOM 591 CA LYS A 41 5.088 14.717 -2.087 1.00 0.00 C ATOM 592 C LYS A 41 6.516 14.299 -1.754 1.00 0.00 C ATOM 593 O LYS A 41 7.354 14.158 -2.644 1.00 0.00 O ATOM 594 CB LYS A 41 4.996 16.243 -2.160 1.00 0.00 C ATOM 595 CG LYS A 41 5.673 16.950 -0.999 1.00 0.00 C ATOM 596 CD LYS A 41 6.243 18.294 -1.420 1.00 0.00 C ATOM 597 CE LYS A 41 7.473 18.658 -0.603 1.00 0.00 C ATOM 598 NZ LYS A 41 8.719 18.100 -1.198 1.00 0.00 N ATOM 0 H LYS A 41 3.520 14.902 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 41 4.822 14.296 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.447 16.581 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.946 16.534 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.955 17.095 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.472 16.322 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.503 18.265 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.483 19.066 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.557 19.743 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.357 18.284 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.535 18.370 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.650 17.063 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.844 18.477 -2.159 1.00 0.00 H new ATOM 612 N GLN A 42 6.786 14.102 -0.467 1.00 0.00 N ATOM 613 CA GLN A 42 8.113 13.699 -0.018 1.00 0.00 C ATOM 614 C GLN A 42 8.352 12.217 -0.286 1.00 0.00 C ATOM 615 O GLN A 42 9.483 11.793 -0.529 1.00 0.00 O ATOM 616 CB GLN A 42 8.281 13.993 1.474 1.00 0.00 C ATOM 617 CG GLN A 42 7.831 12.853 2.373 1.00 0.00 C ATOM 618 CD GLN A 42 8.110 13.121 3.839 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.266 13.661 4.554 1.00 0.00 O ATOM 620 NE2 GLN A 42 9.299 12.745 4.294 1.00 0.00 N ATOM 0 H GLN A 42 6.103 14.215 0.282 1.00 0.00 H new ATOM 0 HA GLN A 42 8.849 14.274 -0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.329 14.213 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.713 14.889 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.763 12.686 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.338 11.936 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.968 12.301 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.543 12.900 5.272 1.00 0.00 H new ATOM 629 N LEU A 43 7.281 11.432 -0.240 1.00 0.00 N ATOM 630 CA LEU A 43 7.373 9.996 -0.478 1.00 0.00 C ATOM 631 C LEU A 43 7.254 9.681 -1.966 1.00 0.00 C ATOM 632 O LEU A 43 7.567 8.574 -2.402 1.00 0.00 O ATOM 633 CB LEU A 43 6.282 9.259 0.300 1.00 0.00 C ATOM 634 CG LEU A 43 6.168 7.757 0.037 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.359 7.020 0.631 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.865 7.213 0.605 1.00 0.00 C ATOM 0 H LEU A 43 6.338 11.766 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 43 8.349 9.658 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.459 9.409 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.323 9.722 0.068 1.00 0.00 H new ATOM 0 HG LEU A 43 6.167 7.595 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.261 5.952 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.279 7.390 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.392 7.189 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.801 6.143 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.836 7.387 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.023 7.719 0.133 1.00 0.00 H new ATOM 648 N GLU A 44 6.801 10.664 -2.739 1.00 0.00 N ATOM 649 CA GLU A 44 6.642 10.491 -4.178 1.00 0.00 C ATOM 650 C GLU A 44 7.829 9.735 -4.770 1.00 0.00 C ATOM 651 O GLU A 44 7.683 8.670 -5.369 1.00 0.00 O ATOM 652 CB GLU A 44 6.496 11.850 -4.864 1.00 0.00 C ATOM 653 CG GLU A 44 5.052 12.284 -5.054 1.00 0.00 C ATOM 654 CD GLU A 44 4.185 11.185 -5.639 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.143 11.059 -6.880 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.549 10.451 -4.854 1.00 0.00 O ATOM 0 H GLU A 44 6.538 11.587 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 44 5.738 9.906 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.018 12.603 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.986 11.811 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.640 12.594 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.021 13.154 -5.710 1.00 0.00 H new ATOM 663 N PRO A 45 9.034 10.299 -4.598 1.00 0.00 N ATOM 664 CA PRO A 45 10.269 9.697 -5.107 1.00 0.00 C ATOM 665 C PRO A 45 10.648 8.427 -4.354 1.00 0.00 C ATOM 666 O PRO A 45 11.068 7.439 -4.957 1.00 0.00 O ATOM 667 CB PRO A 45 11.317 10.789 -4.876 1.00 0.00 C ATOM 668 CG PRO A 45 10.779 11.598 -3.747 1.00 0.00 C ATOM 669 CD PRO A 45 9.283 11.568 -3.893 1.00 0.00 C ATOM 0 HA PRO A 45 10.174 9.391 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.288 10.360 -4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.457 11.399 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.086 11.182 -2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.155 12.621 -3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.784 11.594 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.918 12.422 -4.463 1.00 0.00 H new ATOM 677 N ILE A 46 10.497 8.459 -3.034 1.00 0.00 N ATOM 678 CA ILE A 46 10.822 7.309 -2.200 1.00 0.00 C ATOM 679 C ILE A 46 10.076 6.063 -2.667 1.00 0.00 C ATOM 680 O ILE A 46 10.626 4.962 -2.667 1.00 0.00 O ATOM 681 CB ILE A 46 10.483 7.573 -0.721 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.375 8.682 -0.161 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.639 6.297 0.094 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.799 9.361 1.062 1.00 0.00 C ATOM 0 H ILE A 46 10.152 9.269 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 46 11.895 7.143 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 46 9.445 7.899 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.348 8.262 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.542 9.429 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.396 6.500 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.965 5.533 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.668 5.943 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.485 10.136 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.839 9.811 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.658 8.625 1.854 1.00 0.00 H new ATOM 696 N TYR A 47 8.822 6.245 -3.064 1.00 0.00 N ATOM 697 CA TYR A 47 8.000 5.136 -3.533 1.00 0.00 C ATOM 698 C TYR A 47 8.443 4.677 -4.919 1.00 0.00 C ATOM 699 O TYR A 47 8.375 3.492 -5.246 1.00 0.00 O ATOM 700 CB TYR A 47 6.526 5.545 -3.566 1.00 0.00 C ATOM 701 CG TYR A 47 5.572 4.377 -3.456 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.600 3.532 -2.354 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.640 4.119 -4.455 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.730 2.464 -2.250 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.766 3.054 -4.359 1.00 0.00 C ATOM 706 CZ TYR A 47 3.815 2.229 -3.254 1.00 0.00 C ATOM 707 OH TYR A 47 2.946 1.167 -3.153 1.00 0.00 O ATOM 0 H TYR A 47 8.352 7.150 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 47 8.125 4.305 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.332 6.240 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.327 6.080 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.314 3.713 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.599 4.763 -5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.766 1.816 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.048 2.868 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 47 2.221 1.275 -3.803 1.00 0.00 H new ATOM 717 N THR A 48 8.899 5.626 -5.732 1.00 0.00 N ATOM 718 CA THR A 48 9.354 5.321 -7.082 1.00 0.00 C ATOM 719 C THR A 48 10.405 4.217 -7.073 1.00 0.00 C ATOM 720 O THR A 48 10.279 3.220 -7.784 1.00 0.00 O ATOM 721 CB THR A 48 9.941 6.567 -7.772 1.00 0.00 C ATOM 722 OG1 THR A 48 8.939 7.583 -7.883 1.00 0.00 O ATOM 723 CG2 THR A 48 10.474 6.220 -9.154 1.00 0.00 C ATOM 0 H THR A 48 8.963 6.612 -5.478 1.00 0.00 H new ATOM 0 HA THR A 48 8.481 4.983 -7.640 1.00 0.00 H new ATOM 0 HB THR A 48 10.767 6.937 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.637 7.844 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.883 7.116 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.257 5.468 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.664 5.828 -9.769 1.00 0.00 H new ATOM 731 N SER A 49 11.442 4.400 -6.262 1.00 0.00 N ATOM 732 CA SER A 49 12.517 3.420 -6.162 1.00 0.00 C ATOM 733 C SER A 49 11.994 2.093 -5.622 1.00 0.00 C ATOM 734 O SER A 49 12.392 1.022 -6.083 1.00 0.00 O ATOM 735 CB SER A 49 13.634 3.947 -5.258 1.00 0.00 C ATOM 736 OG SER A 49 14.238 5.101 -5.814 1.00 0.00 O ATOM 0 H SER A 49 11.560 5.218 -5.665 1.00 0.00 H new ATOM 0 HA SER A 49 12.917 3.253 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.229 4.183 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.387 3.172 -5.115 1.00 0.00 H new ATOM 0 HG SER A 49 14.947 5.419 -5.217 1.00 0.00 H new ATOM 742 N LEU A 50 11.099 2.171 -4.644 1.00 0.00 N ATOM 743 CA LEU A 50 10.520 0.976 -4.040 1.00 0.00 C ATOM 744 C LEU A 50 9.877 0.087 -5.099 1.00 0.00 C ATOM 745 O LEU A 50 9.759 -1.124 -4.920 1.00 0.00 O ATOM 746 CB LEU A 50 9.481 1.366 -2.986 1.00 0.00 C ATOM 747 CG LEU A 50 8.977 0.234 -2.090 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.021 -0.124 -1.044 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.665 0.625 -1.424 1.00 0.00 C ATOM 0 H LEU A 50 10.758 3.049 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 50 11.323 0.416 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.910 2.141 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.625 1.808 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 50 8.799 -0.644 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.645 -0.931 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.937 -0.447 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.231 0.749 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.321 -0.192 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.817 1.517 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.916 0.831 -2.189 1.00 0.00 H new ATOM 761 N GLY A 51 9.464 0.698 -6.206 1.00 0.00 N ATOM 762 CA GLY A 51 8.840 -0.053 -7.279 1.00 0.00 C ATOM 763 C GLY A 51 9.830 -0.464 -8.351 1.00 0.00 C ATOM 764 O GLY A 51 10.000 -1.652 -8.628 1.00 0.00 O ATOM 0 H GLY A 51 9.551 1.700 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.365 -0.943 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.051 0.550 -7.729 1.00 0.00 H new ATOM 768 N LYS A 52 10.486 0.520 -8.957 1.00 0.00 N ATOM 769 CA LYS A 52 11.464 0.256 -10.006 1.00 0.00 C ATOM 770 C LYS A 52 12.533 -0.718 -9.519 1.00 0.00 C ATOM 771 O LYS A 52 13.207 -1.367 -10.319 1.00 0.00 O ATOM 772 CB LYS A 52 12.118 1.562 -10.462 1.00 0.00 C ATOM 773 CG LYS A 52 13.370 1.921 -9.680 1.00 0.00 C ATOM 774 CD LYS A 52 13.874 3.308 -10.041 1.00 0.00 C ATOM 775 CE LYS A 52 14.809 3.266 -11.241 1.00 0.00 C ATOM 776 NZ LYS A 52 16.180 2.825 -10.860 1.00 0.00 N ATOM 0 H LYS A 52 10.358 1.508 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 52 10.943 -0.196 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.371 1.482 -11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.396 2.373 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.158 1.876 -8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.149 1.186 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.027 3.958 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.395 3.741 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.405 2.588 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.859 4.255 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.787 2.809 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.576 3.486 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.136 1.871 -10.448 1.00 0.00 H new ATOM 790 N LYS A 53 12.683 -0.815 -8.202 1.00 0.00 N ATOM 791 CA LYS A 53 13.668 -1.711 -7.608 1.00 0.00 C ATOM 792 C LYS A 53 13.070 -3.094 -7.367 1.00 0.00 C ATOM 793 O LYS A 53 13.738 -4.111 -7.558 1.00 0.00 O ATOM 794 CB LYS A 53 14.186 -1.131 -6.291 1.00 0.00 C ATOM 795 CG LYS A 53 13.261 -1.377 -5.112 1.00 0.00 C ATOM 796 CD LYS A 53 13.654 -0.537 -3.908 1.00 0.00 C ATOM 797 CE LYS A 53 15.036 -0.912 -3.395 1.00 0.00 C ATOM 798 NZ LYS A 53 15.056 -2.277 -2.802 1.00 0.00 N ATOM 0 H LYS A 53 12.135 -0.284 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 53 14.499 -1.811 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.162 -1.564 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.332 -0.057 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.235 -1.145 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.286 -2.433 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.639 0.519 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.920 -0.672 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.753 -0.861 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.355 -0.186 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.969 -2.437 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.287 -2.365 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.927 -2.984 -3.554 1.00 0.00 H new ATOM 812 N TYR A 54 11.810 -3.123 -6.949 1.00 0.00 N ATOM 813 CA TYR A 54 11.123 -4.381 -6.681 1.00 0.00 C ATOM 814 C TYR A 54 10.667 -5.040 -7.979 1.00 0.00 C ATOM 815 O TYR A 54 10.076 -6.120 -7.968 1.00 0.00 O ATOM 816 CB TYR A 54 9.920 -4.145 -5.766 1.00 0.00 C ATOM 817 CG TYR A 54 10.241 -4.287 -4.295 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.998 -3.328 -3.633 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.786 -5.380 -3.568 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.294 -3.455 -2.290 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.076 -5.514 -2.224 1.00 0.00 C ATOM 822 CZ TYR A 54 10.831 -4.549 -1.589 1.00 0.00 C ATOM 823 OH TYR A 54 11.123 -4.678 -0.251 1.00 0.00 O ATOM 0 H TYR A 54 11.243 -2.290 -6.788 1.00 0.00 H new ATOM 0 HA TYR A 54 11.825 -5.049 -6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.526 -3.145 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.132 -4.851 -6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.361 -2.469 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.196 -6.138 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.885 -2.701 -1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.714 -6.369 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 54 10.722 -5.503 0.093 1.00 0.00 H new ATOM 833 N LYS A 55 10.946 -4.381 -9.099 1.00 0.00 N ATOM 834 CA LYS A 55 10.567 -4.901 -10.408 1.00 0.00 C ATOM 835 C LYS A 55 11.134 -6.301 -10.622 1.00 0.00 C ATOM 836 O LYS A 55 10.608 -7.079 -11.416 1.00 0.00 O ATOM 837 CB LYS A 55 11.061 -3.965 -11.513 1.00 0.00 C ATOM 838 CG LYS A 55 10.248 -2.687 -11.636 1.00 0.00 C ATOM 839 CD LYS A 55 9.139 -2.829 -12.665 1.00 0.00 C ATOM 840 CE LYS A 55 7.826 -3.237 -12.015 1.00 0.00 C ATOM 841 NZ LYS A 55 6.987 -4.060 -12.930 1.00 0.00 N ATOM 0 H LYS A 55 11.433 -3.485 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 55 9.479 -4.959 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.102 -3.706 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.035 -4.495 -12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.817 -2.434 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.904 -1.863 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.007 -1.884 -13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.424 -3.572 -13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.031 -3.800 -11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.274 -2.345 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.101 -4.318 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.770 -3.513 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.503 -4.924 -13.192 1.00 0.00 H new ATOM 855 N GLY A 56 12.210 -6.615 -9.906 1.00 0.00 N ATOM 856 CA GLY A 56 12.829 -7.922 -10.032 1.00 0.00 C ATOM 857 C GLY A 56 12.207 -8.949 -9.107 1.00 0.00 C ATOM 858 O GLY A 56 12.885 -9.864 -8.641 1.00 0.00 O ATOM 0 H GLY A 56 12.664 -5.988 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.740 -8.265 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.894 -7.839 -9.814 1.00 0.00 H new ATOM 862 N GLN A 57 10.914 -8.796 -8.839 1.00 0.00 N ATOM 863 CA GLN A 57 10.202 -9.717 -7.961 1.00 0.00 C ATOM 864 C GLN A 57 9.271 -10.621 -8.761 1.00 0.00 C ATOM 865 O GLN A 57 9.122 -10.461 -9.973 1.00 0.00 O ATOM 866 CB GLN A 57 9.403 -8.941 -6.913 1.00 0.00 C ATOM 867 CG GLN A 57 10.244 -8.456 -5.743 1.00 0.00 C ATOM 868 CD GLN A 57 10.369 -9.493 -4.645 1.00 0.00 C ATOM 869 OE1 GLN A 57 9.244 -9.854 -4.040 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 11.466 -9.965 -4.342 1.00 0.00 N flip ATOM 0 H GLN A 57 10.339 -8.043 -9.217 1.00 0.00 H new ATOM 0 HA GLN A 57 10.939 -10.341 -7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.931 -8.083 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.602 -9.576 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.239 -8.190 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.800 -7.549 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.306 -9.659 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.534 -10.662 -3.600 1.00 0.00 H new ATOM 879 N LYS A 58 8.645 -11.572 -8.076 1.00 0.00 N ATOM 880 CA LYS A 58 7.726 -12.503 -8.722 1.00 0.00 C ATOM 881 C LYS A 58 6.284 -12.211 -8.320 1.00 0.00 C ATOM 882 O LYS A 58 5.930 -12.287 -7.143 1.00 0.00 O ATOM 883 CB LYS A 58 8.087 -13.944 -8.356 1.00 0.00 C ATOM 884 CG LYS A 58 8.421 -14.133 -6.886 1.00 0.00 C ATOM 885 CD LYS A 58 9.901 -13.921 -6.619 1.00 0.00 C ATOM 886 CE LYS A 58 10.740 -15.052 -7.193 1.00 0.00 C ATOM 887 NZ LYS A 58 11.158 -14.777 -8.596 1.00 0.00 N ATOM 0 H LYS A 58 8.757 -11.719 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 58 7.817 -12.375 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.254 -14.596 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.940 -14.260 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.838 -13.433 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.134 -15.137 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.218 -12.974 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.071 -13.850 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.624 -15.199 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.170 -15.980 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.640 -15.406 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.947 -13.787 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.179 -14.946 -8.693 1.00 0.00 H new ATOM 901 N ASP A 59 5.456 -11.877 -9.304 1.00 0.00 N ATOM 902 CA ASP A 59 4.052 -11.576 -9.053 1.00 0.00 C ATOM 903 C ASP A 59 3.911 -10.452 -8.031 1.00 0.00 C ATOM 904 O ASP A 59 3.223 -10.600 -7.020 1.00 0.00 O ATOM 905 CB ASP A 59 3.321 -12.826 -8.559 1.00 0.00 C ATOM 906 CG ASP A 59 4.009 -14.107 -8.988 1.00 0.00 C ATOM 907 OD1 ASP A 59 3.904 -14.467 -10.179 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.654 -14.748 -8.132 1.00 0.00 O ATOM 0 H ASP A 59 5.733 -11.808 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 59 3.603 -11.248 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.256 -12.799 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.300 -12.820 -8.940 1.00 0.00 H new ATOM 913 N LEU A 60 4.568 -9.330 -8.300 1.00 0.00 N ATOM 914 CA LEU A 60 4.518 -8.180 -7.404 1.00 0.00 C ATOM 915 C LEU A 60 4.610 -6.874 -8.187 1.00 0.00 C ATOM 916 O LEU A 60 5.630 -6.585 -8.814 1.00 0.00 O ATOM 917 CB LEU A 60 5.652 -8.256 -6.380 1.00 0.00 C ATOM 918 CG LEU A 60 5.619 -7.213 -5.262 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.820 -7.729 -4.075 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.032 -6.842 -4.837 1.00 0.00 C ATOM 0 H LEU A 60 5.142 -9.192 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 60 3.562 -8.201 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.638 -9.247 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.600 -8.161 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 60 5.129 -6.316 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.807 -6.974 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.798 -7.943 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.281 -8.641 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.989 -6.099 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.549 -7.731 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.572 -6.430 -5.689 1.00 0.00 H new ATOM 932 N VAL A 61 3.540 -6.087 -8.144 1.00 0.00 N ATOM 933 CA VAL A 61 3.501 -4.811 -8.847 1.00 0.00 C ATOM 934 C VAL A 61 3.080 -3.682 -7.913 1.00 0.00 C ATOM 935 O VAL A 61 1.925 -3.610 -7.492 1.00 0.00 O ATOM 936 CB VAL A 61 2.535 -4.859 -10.046 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.560 -3.540 -10.805 1.00 0.00 C ATOM 938 CG2 VAL A 61 2.885 -6.019 -10.965 1.00 0.00 C ATOM 0 H VAL A 61 2.688 -6.311 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 61 4.510 -4.620 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 61 1.524 -5.015 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.872 -3.592 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.257 -2.731 -10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.569 -3.350 -11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.193 -6.038 -11.807 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.903 -5.896 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.811 -6.956 -10.413 1.00 0.00 H new ATOM 948 N ILE A 62 4.023 -2.802 -7.594 1.00 0.00 N ATOM 949 CA ILE A 62 3.748 -1.675 -6.711 1.00 0.00 C ATOM 950 C ILE A 62 3.004 -0.567 -7.449 1.00 0.00 C ATOM 951 O ILE A 62 3.596 0.184 -8.223 1.00 0.00 O ATOM 952 CB ILE A 62 5.045 -1.098 -6.115 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.632 -2.063 -5.083 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.780 0.262 -5.486 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.864 -1.528 -4.387 1.00 0.00 C ATOM 0 H ILE A 62 4.984 -2.848 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 62 3.123 -2.053 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 62 5.771 -0.970 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.872 -2.289 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.883 -3.002 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.706 0.657 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.403 0.947 -6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.040 0.158 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.225 -2.265 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.641 -1.328 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.614 -0.605 -3.864 1.00 0.00 H new ATOM 967 N ALA A 63 1.702 -0.470 -7.202 1.00 0.00 N ATOM 968 CA ALA A 63 0.877 0.548 -7.839 1.00 0.00 C ATOM 969 C ALA A 63 0.376 1.566 -6.820 1.00 0.00 C ATOM 970 O ALA A 63 0.436 1.333 -5.613 1.00 0.00 O ATOM 971 CB ALA A 63 -0.296 -0.098 -8.562 1.00 0.00 C ATOM 0 H ALA A 63 1.196 -1.085 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 63 1.493 1.075 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.903 0.675 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.078 -0.781 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.904 -0.652 -7.847 1.00 0.00 H new ATOM 977 N LYS A 64 -0.118 2.696 -7.314 1.00 0.00 N ATOM 978 CA LYS A 64 -0.631 3.751 -6.447 1.00 0.00 C ATOM 979 C LYS A 64 -1.942 4.311 -6.988 1.00 0.00 C ATOM 980 O LYS A 64 -2.232 4.196 -8.178 1.00 0.00 O ATOM 981 CB LYS A 64 0.400 4.874 -6.312 1.00 0.00 C ATOM 982 CG LYS A 64 0.680 5.602 -7.615 1.00 0.00 C ATOM 983 CD LYS A 64 1.596 6.796 -7.402 1.00 0.00 C ATOM 984 CE LYS A 64 1.885 7.517 -8.709 1.00 0.00 C ATOM 985 NZ LYS A 64 2.803 6.736 -9.583 1.00 0.00 N ATOM 0 H LYS A 64 -0.174 2.905 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.820 3.320 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.047 5.593 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.332 4.456 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.137 4.914 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.259 5.937 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.135 7.488 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.532 6.462 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.949 7.700 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.327 8.491 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.935 7.238 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.723 6.626 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.394 5.798 -9.766 1.00 0.00 H new ATOM 999 N MET A 65 -2.729 4.920 -6.107 1.00 0.00 N ATOM 1000 CA MET A 65 -4.008 5.501 -6.498 1.00 0.00 C ATOM 1001 C MET A 65 -4.309 6.754 -5.682 1.00 0.00 C ATOM 1002 O MET A 65 -3.792 6.925 -4.577 1.00 0.00 O ATOM 1003 CB MET A 65 -5.132 4.479 -6.319 1.00 0.00 C ATOM 1004 CG MET A 65 -6.518 5.050 -6.571 1.00 0.00 C ATOM 1005 SD MET A 65 -7.720 3.785 -7.024 1.00 0.00 S ATOM 1006 CE MET A 65 -8.900 3.943 -5.686 1.00 0.00 C ATOM 0 H MET A 65 -2.503 5.024 -5.118 1.00 0.00 H new ATOM 0 HA MET A 65 -3.945 5.781 -7.550 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.963 3.643 -6.998 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.091 4.080 -5.306 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.862 5.568 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.461 5.793 -7.367 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.910 3.810 -6.074 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.698 3.183 -4.931 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.811 4.932 -5.237 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.146 7.626 -6.232 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.516 8.863 -5.554 1.00 0.00 C ATOM 1018 C ASP A 66 -6.896 8.741 -4.916 1.00 0.00 C ATOM 1019 O ASP A 66 -7.904 9.110 -5.519 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.496 10.034 -6.537 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.266 10.025 -7.424 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.869 8.930 -7.874 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.701 11.112 -7.667 1.00 0.00 O ATOM 0 H ASP A 66 -5.581 7.499 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.787 9.049 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.390 9.997 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.533 10.971 -5.982 1.00 0.00 H new ATOM 1028 N ALA A 67 -6.934 8.220 -3.694 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.190 8.051 -2.975 1.00 0.00 C ATOM 1030 C ALA A 67 -8.939 9.374 -2.857 1.00 0.00 C ATOM 1031 O ALA A 67 -10.136 9.399 -2.569 1.00 0.00 O ATOM 1032 CB ALA A 67 -7.933 7.464 -1.595 1.00 0.00 C ATOM 0 H ALA A 67 -6.109 7.908 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.814 7.360 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.880 7.343 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.448 6.493 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.287 8.135 -1.029 1.00 0.00 H new ATOM 1038 N THR A 68 -8.226 10.474 -3.082 1.00 0.00 N ATOM 1039 CA THR A 68 -8.822 11.801 -2.999 1.00 0.00 C ATOM 1040 C THR A 68 -9.796 12.038 -4.148 1.00 0.00 C ATOM 1041 O THR A 68 -10.716 12.848 -4.037 1.00 0.00 O ATOM 1042 CB THR A 68 -7.746 12.903 -3.018 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.138 12.972 -4.313 1.00 0.00 O ATOM 1044 CG2 THR A 68 -6.681 12.636 -1.965 1.00 0.00 C ATOM 0 H THR A 68 -7.235 10.471 -3.323 1.00 0.00 H new ATOM 0 HA THR A 68 -9.361 11.847 -2.053 1.00 0.00 H new ATOM 0 HB THR A 68 -8.227 13.855 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.707 13.845 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.932 13.427 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.143 12.613 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.204 11.676 -2.165 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.588 11.327 -5.251 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.449 11.459 -6.419 1.00 0.00 C ATOM 1054 C ALA A 69 -11.275 10.196 -6.638 1.00 0.00 C ATOM 1055 O ALA A 69 -12.470 10.266 -6.923 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.618 11.769 -7.656 1.00 0.00 C ATOM 0 H ALA A 69 -8.830 10.653 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.137 12.285 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.275 11.865 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.077 12.703 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.907 10.961 -7.828 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.630 9.042 -6.502 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.306 7.763 -6.686 1.00 0.00 C ATOM 1064 C ASN A 70 -11.985 7.315 -5.395 1.00 0.00 C ATOM 1065 O ASN A 70 -11.390 7.368 -4.319 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.309 6.697 -7.147 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.851 6.913 -8.576 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.589 6.642 -9.524 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.628 7.404 -8.738 1.00 0.00 N ATOM 0 H ASN A 70 -9.641 8.966 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.071 7.892 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.443 6.704 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.768 5.712 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.266 7.571 -9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.051 7.614 -7.924 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.233 6.875 -5.511 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.993 6.417 -4.354 1.00 0.00 C ATOM 1078 C ASP A 71 -13.736 4.937 -4.087 1.00 0.00 C ATOM 1079 O ASP A 71 -14.109 4.078 -4.885 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.488 6.656 -4.572 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.796 8.095 -4.939 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.016 8.987 -4.546 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.818 8.328 -5.619 1.00 0.00 O ATOM 0 H ASP A 71 -13.740 6.826 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.665 6.987 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.847 5.997 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.032 6.391 -3.665 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.095 4.648 -2.959 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.788 3.273 -2.587 1.00 0.00 C ATOM 1090 C ILE A 72 -14.030 2.552 -2.074 1.00 0.00 C ATOM 1091 O ILE A 72 -14.338 2.593 -0.882 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.691 3.213 -1.507 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.436 3.946 -1.984 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.367 1.767 -1.161 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.401 4.141 -0.898 1.00 0.00 C ATOM 0 H ILE A 72 -12.779 5.348 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.428 2.776 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.059 3.708 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.988 3.386 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.723 4.920 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.590 1.741 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.263 1.273 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -11.015 1.249 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.539 4.667 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.832 4.727 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.086 3.170 -0.517 1.00 0.00 H new ATOM 1107 N THR A 73 -14.741 1.889 -2.981 1.00 0.00 N ATOM 1108 CA THR A 73 -15.949 1.158 -2.622 1.00 0.00 C ATOM 1109 C THR A 73 -15.641 0.040 -1.632 1.00 0.00 C ATOM 1110 O THR A 73 -16.527 -0.437 -0.925 1.00 0.00 O ATOM 1111 CB THR A 73 -16.631 0.555 -3.864 1.00 0.00 C ATOM 1112 OG1 THR A 73 -15.706 -0.273 -4.578 1.00 0.00 O ATOM 1113 CG2 THR A 73 -17.152 1.651 -4.781 1.00 0.00 C ATOM 0 H THR A 73 -14.500 1.844 -3.971 1.00 0.00 H new ATOM 0 HA THR A 73 -16.626 1.875 -2.157 1.00 0.00 H new ATOM 0 HB THR A 73 -17.475 -0.049 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.148 -0.654 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.630 1.201 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.878 2.261 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.322 2.278 -5.106 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.379 -0.373 -1.587 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.954 -1.435 -0.682 1.00 0.00 C ATOM 1123 C ASN A 74 -14.165 -1.028 0.773 1.00 0.00 C ATOM 1124 O ASN A 74 -13.866 0.101 1.162 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.481 -1.777 -0.920 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.294 -2.775 -2.046 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -12.682 -2.521 -3.186 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.696 -3.918 -1.730 1.00 0.00 N ATOM 0 H ASN A 74 -13.633 0.011 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.562 -2.316 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.932 -0.864 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.052 -2.183 -0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.542 -4.628 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.391 -4.086 -0.771 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.681 -1.955 1.572 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.931 -1.694 2.985 1.00 0.00 C ATOM 1137 C ASP A 75 -13.728 -2.095 3.832 1.00 0.00 C ATOM 1138 O ASP A 75 -13.675 -1.805 5.027 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.175 -2.450 3.453 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.852 -1.778 4.631 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.476 -0.715 4.430 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -16.758 -2.315 5.754 1.00 0.00 O ATOM 0 H ASP A 75 -14.934 -2.894 1.265 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.099 -0.624 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.882 -2.527 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.896 -3.467 3.730 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.766 -2.764 3.206 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.564 -3.207 3.904 1.00 0.00 C ATOM 1149 C GLN A 76 -10.473 -2.144 3.837 1.00 0.00 C ATOM 1150 O GLN A 76 -9.631 -2.046 4.730 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.053 -4.518 3.303 1.00 0.00 C ATOM 1152 CG GLN A 76 -12.155 -5.526 3.018 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.743 -6.120 4.283 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.193 -5.396 5.172 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.745 -7.445 4.370 1.00 0.00 N ATOM 0 H GLN A 76 -12.795 -3.012 2.217 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.822 -3.372 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.522 -4.301 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.331 -4.965 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.947 -5.041 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.757 -6.327 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.362 -8.007 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.130 -7.901 5.197 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.493 -1.349 2.772 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.503 -0.294 2.587 1.00 0.00 C ATOM 1166 C TYR A 77 -10.109 1.077 2.870 1.00 0.00 C ATOM 1167 O TYR A 77 -10.951 1.564 2.116 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.945 -0.334 1.164 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.354 -1.673 0.783 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.133 -2.823 0.778 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.016 -1.787 0.426 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.597 -4.048 0.431 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.471 -3.007 0.076 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.265 -4.135 0.081 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.728 -5.353 -0.267 1.00 0.00 O ATOM 0 H TYR A 77 -11.184 -1.415 2.024 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.691 -0.465 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.742 -0.085 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.179 0.434 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.176 -2.758 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.391 -0.906 0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.217 -4.932 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.429 -3.077 -0.200 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.451 -5.990 -0.446 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.673 1.695 3.962 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.169 3.011 4.346 1.00 0.00 C ATOM 1187 C LYS A 78 -9.016 3.990 4.546 1.00 0.00 C ATOM 1188 O LYS A 78 -8.073 3.711 5.285 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.997 2.913 5.630 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.465 2.613 5.385 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.194 2.301 6.681 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.614 3.571 7.405 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.928 4.078 6.920 1.00 0.00 N ATOM 0 H LYS A 78 -8.977 1.305 4.597 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.802 3.382 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.576 2.133 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.913 3.851 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.936 3.467 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.556 1.768 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.074 1.695 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.548 1.708 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.673 3.376 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.854 4.339 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.179 4.944 7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.865 4.288 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.659 3.356 7.079 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.100 5.139 3.883 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.065 6.161 3.990 1.00 0.00 C ATOM 1209 C VAL A 79 -8.375 7.142 5.115 1.00 0.00 C ATOM 1210 O VAL A 79 -9.452 7.737 5.153 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.908 6.941 2.671 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.863 8.036 2.819 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.547 5.998 1.534 1.00 0.00 C ATOM 0 H VAL A 79 -9.874 5.386 3.266 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.131 5.644 4.211 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.861 7.412 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.766 8.576 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.169 8.727 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.904 7.590 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.440 6.566 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.607 5.496 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.335 5.255 1.414 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.424 7.306 6.029 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.597 8.215 7.155 1.00 0.00 C ATOM 1225 C GLU A 80 -6.448 9.217 7.227 1.00 0.00 C ATOM 1226 O GLU A 80 -6.604 10.321 7.746 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.685 7.429 8.465 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.804 6.402 8.484 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.638 5.378 9.591 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -7.857 4.422 9.401 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.288 5.533 10.645 1.00 0.00 O ATOM 0 H GLU A 80 -6.527 6.821 6.012 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.527 8.764 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.736 6.923 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.830 8.128 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.759 6.913 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.838 5.890 7.522 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.292 8.822 6.702 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.133 9.695 6.717 1.00 0.00 C ATOM 1240 C GLY A 81 -3.114 9.324 5.658 1.00 0.00 C ATOM 1241 O GLY A 81 -2.707 8.166 5.555 1.00 0.00 O ATOM 0 H GLY A 81 -5.138 7.913 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.455 10.725 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.663 9.653 7.700 1.00 0.00 H new ATOM 1245 N PHE A 82 -2.700 10.308 4.866 1.00 0.00 N ATOM 1246 CA PHE A 82 -1.724 10.079 3.807 1.00 0.00 C ATOM 1247 C PHE A 82 -0.321 10.462 4.269 1.00 0.00 C ATOM 1248 O PHE A 82 -0.134 11.354 5.097 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.098 10.878 2.558 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.575 10.911 2.286 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.402 11.778 2.982 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.137 10.073 1.336 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -5.762 11.810 2.735 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.495 10.101 1.084 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.309 10.970 1.785 1.00 0.00 C ATOM 0 H PHE A 82 -3.026 11.272 4.938 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.730 9.016 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.734 11.900 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.588 10.449 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.979 12.437 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.506 9.390 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.396 12.491 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.920 9.444 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.371 10.992 1.590 1.00 0.00 H new ATOM 1265 N PRO A 83 0.690 9.772 3.721 1.00 0.00 N ATOM 1266 CA PRO A 83 0.480 8.708 2.735 1.00 0.00 C ATOM 1267 C PRO A 83 -0.163 7.469 3.347 1.00 0.00 C ATOM 1268 O PRO A 83 -0.136 7.279 4.563 1.00 0.00 O ATOM 1269 CB PRO A 83 1.897 8.391 2.248 1.00 0.00 C ATOM 1270 CG PRO A 83 2.784 8.795 3.375 1.00 0.00 C ATOM 1271 CD PRO A 83 2.117 9.977 4.023 1.00 0.00 C ATOM 0 HA PRO A 83 -0.199 9.017 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.008 7.332 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.136 8.943 1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.908 7.978 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.779 9.057 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.301 10.003 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.483 10.919 3.614 1.00 0.00 H new ATOM 1279 N THR A 84 -0.741 6.626 2.496 1.00 0.00 N ATOM 1280 CA THR A 84 -1.392 5.405 2.954 1.00 0.00 C ATOM 1281 C THR A 84 -1.064 4.231 2.039 1.00 0.00 C ATOM 1282 O THR A 84 -1.473 4.205 0.877 1.00 0.00 O ATOM 1283 CB THR A 84 -2.922 5.576 3.023 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.249 6.928 3.362 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.525 4.630 4.051 1.00 0.00 C ATOM 0 H THR A 84 -0.771 6.767 1.486 1.00 0.00 H new ATOM 0 HA THR A 84 -1.011 5.200 3.955 1.00 0.00 H new ATOM 0 HB THR A 84 -3.337 5.337 2.044 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.249 7.030 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.606 4.768 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.299 3.600 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.103 4.843 5.033 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.325 3.262 2.569 1.00 0.00 N ATOM 1294 CA ILE A 85 0.055 2.085 1.799 1.00 0.00 C ATOM 1295 C ILE A 85 -0.761 0.867 2.217 1.00 0.00 C ATOM 1296 O ILE A 85 -1.109 0.712 3.388 1.00 0.00 O ATOM 1297 CB ILE A 85 1.553 1.765 1.962 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.403 2.952 1.504 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.916 0.513 1.179 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.756 3.021 2.177 1.00 0.00 C ATOM 0 H ILE A 85 0.022 3.269 3.528 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.148 2.314 0.753 1.00 0.00 H new ATOM 0 HB ILE A 85 1.757 1.581 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.545 2.892 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.860 3.876 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.978 0.300 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.331 -0.329 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.700 0.669 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.304 3.886 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.622 3.113 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.318 2.113 1.957 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.063 0.005 1.253 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.840 -1.200 1.520 1.00 0.00 C ATOM 1314 C TYR A 86 -1.353 -2.364 0.661 1.00 0.00 C ATOM 1315 O TYR A 86 -1.158 -2.221 -0.546 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.325 -0.944 1.257 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.077 -0.445 2.470 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.542 -1.330 3.436 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.324 0.910 2.651 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.230 -0.879 4.546 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.010 1.370 3.758 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.461 0.472 4.702 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.146 0.926 5.806 1.00 0.00 O ATOM 0 H TYR A 86 -0.782 0.118 0.279 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.704 -1.464 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.423 -0.214 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.788 -1.867 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.362 -2.388 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.973 1.616 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.585 -1.580 5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.192 2.427 3.883 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.985 0.323 6.562 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.161 -3.517 1.293 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.697 -4.706 0.589 1.00 0.00 C ATOM 1335 C PHE A 87 -1.830 -5.715 0.421 1.00 0.00 C ATOM 1336 O PHE A 87 -2.332 -6.269 1.398 1.00 0.00 O ATOM 1337 CB PHE A 87 0.467 -5.351 1.345 1.00 0.00 C ATOM 1338 CG PHE A 87 1.174 -6.418 0.559 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.547 -7.622 0.281 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.466 -6.218 0.101 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.195 -8.606 -0.442 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.118 -7.198 -0.623 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.483 -8.394 -0.894 1.00 0.00 C ATOM 0 H PHE A 87 -1.320 -3.653 2.291 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.355 -4.402 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.184 -4.578 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.092 -5.783 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.459 -7.794 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.969 -5.286 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.695 -9.540 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.124 -7.029 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.992 -9.162 -1.458 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.227 -5.947 -0.826 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.298 -6.889 -1.124 1.00 0.00 C ATOM 1355 C ALA A 88 -2.740 -8.211 -1.639 1.00 0.00 C ATOM 1356 O ALA A 88 -2.437 -8.366 -2.822 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.261 -6.289 -2.139 1.00 0.00 C ATOM 0 H ALA A 88 -1.823 -5.495 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.839 -7.089 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.056 -7.003 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.694 -5.375 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.723 -6.059 -3.059 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.599 -9.188 -0.731 1.00 0.00 N ATOM 1364 CA PRO A 89 -2.076 -10.515 -1.071 1.00 0.00 C ATOM 1365 C PRO A 89 -3.047 -11.318 -1.930 1.00 0.00 C ATOM 1366 O PRO A 89 -4.120 -11.709 -1.471 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.890 -11.183 0.293 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.860 -10.492 1.189 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.940 -9.074 0.696 1.00 0.00 C ATOM 0 HA PRO A 89 -1.160 -10.454 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.092 -12.253 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.868 -11.069 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.837 -10.974 1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.526 -10.527 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.936 -8.655 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.242 -8.425 1.225 1.00 0.00 H new ATOM 1377 N SER A 90 -2.662 -11.562 -3.179 1.00 0.00 N ATOM 1378 CA SER A 90 -3.501 -12.317 -4.103 1.00 0.00 C ATOM 1379 C SER A 90 -4.021 -13.592 -3.447 1.00 0.00 C ATOM 1380 O SER A 90 -3.270 -14.542 -3.230 1.00 0.00 O ATOM 1381 CB SER A 90 -2.715 -12.665 -5.369 1.00 0.00 C ATOM 1382 OG SER A 90 -1.782 -13.702 -5.121 1.00 0.00 O ATOM 0 H SER A 90 -1.775 -11.248 -3.574 1.00 0.00 H new ATOM 0 HA SER A 90 -4.354 -11.694 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.404 -12.972 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.192 -11.780 -5.731 1.00 0.00 H new ATOM 0 HG SER A 90 -1.869 -14.005 -4.193 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.313 -13.604 -3.133 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.913 -14.767 -2.505 1.00 0.00 C ATOM 1390 C GLY A 91 -6.472 -14.459 -1.130 1.00 0.00 C ATOM 1391 O GLY A 91 -7.536 -14.956 -0.760 1.00 0.00 O ATOM 0 H GLY A 91 -5.955 -12.829 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.711 -15.148 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.167 -15.557 -2.422 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.754 -13.638 -0.371 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.185 -13.265 0.971 1.00 0.00 C ATOM 1397 C ASP A 92 -6.355 -11.754 1.087 1.00 0.00 C ATOM 1398 O ASP A 92 -6.089 -11.166 2.135 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.175 -13.758 2.009 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.666 -15.153 1.705 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.498 -16.081 1.616 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -3.437 -15.318 1.557 1.00 0.00 O ATOM 0 H ASP A 92 -4.871 -13.218 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.149 -13.736 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.332 -13.068 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.639 -13.751 2.995 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.800 -11.129 0.001 1.00 0.00 N ATOM 1408 CA LYS A 93 -7.006 -9.686 -0.021 1.00 0.00 C ATOM 1409 C LYS A 93 -8.022 -9.266 1.037 1.00 0.00 C ATOM 1410 O LYS A 93 -7.966 -8.152 1.559 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.481 -9.239 -1.405 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.581 -9.705 -2.536 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.573 -8.714 -3.688 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.956 -9.319 -4.940 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.864 -10.307 -5.584 1.00 0.00 N ATOM 0 H LYS A 93 -7.025 -11.600 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.054 -9.204 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.489 -9.618 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.542 -8.151 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.566 -9.838 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.919 -10.677 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.593 -8.395 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.014 -7.824 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.722 -8.525 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.015 -9.805 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.493 -11.267 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.812 -10.233 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.922 -10.112 -6.604 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.950 -10.164 1.349 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.978 -9.888 2.346 1.00 0.00 C ATOM 1431 C LYS A 94 -9.405 -9.088 3.511 1.00 0.00 C ATOM 1432 O LYS A 94 -10.052 -8.179 4.029 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.582 -11.196 2.861 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.270 -12.015 1.781 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.604 -11.404 1.384 1.00 0.00 C ATOM 1436 CE LYS A 94 -12.999 -11.800 -0.030 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.008 -10.868 -0.606 1.00 0.00 N ATOM 0 H LYS A 94 -9.012 -11.090 0.926 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.760 -9.296 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.794 -11.797 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.302 -10.969 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.624 -12.081 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.427 -13.033 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.376 -11.727 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.544 -10.318 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.113 -11.813 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.402 -12.813 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.251 -11.172 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.864 -10.874 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.615 -9.906 -0.635 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.186 -9.431 3.916 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.526 -8.743 5.020 1.00 0.00 C ATOM 1453 C ASN A 95 -6.389 -7.862 4.509 1.00 0.00 C ATOM 1454 O ASN A 95 -5.259 -8.312 4.319 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.986 -9.757 6.030 1.00 0.00 C ATOM 1456 CG ASN A 95 -6.050 -10.766 5.393 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -6.620 -11.791 4.770 1.00 0.00 O flip ATOM 1458 ND2 ASN A 95 -4.828 -10.625 5.460 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.636 -10.181 3.497 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.262 -8.107 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.460 -9.229 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.820 -10.282 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.433 -9.822 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.211 -11.312 5.026 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.694 -6.576 4.282 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.712 -5.604 3.792 1.00 0.00 C ATOM 1467 C PRO A 96 -4.654 -5.271 4.839 1.00 0.00 C ATOM 1468 O PRO A 96 -4.965 -5.112 6.020 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.560 -4.370 3.478 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.754 -4.496 4.360 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.021 -5.971 4.487 1.00 0.00 C ATOM 0 HA PRO A 96 -5.155 -5.984 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.012 -3.450 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.846 -4.343 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.567 -4.048 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.613 -3.979 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.431 -6.223 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.739 -6.315 3.743 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.405 -5.167 4.399 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.302 -4.851 5.298 1.00 0.00 C ATOM 1481 C ILE A 97 -1.777 -3.440 5.050 1.00 0.00 C ATOM 1482 O ILE A 97 -1.165 -3.166 4.018 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.143 -5.852 5.141 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.665 -7.288 5.233 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.079 -5.601 6.199 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.866 -8.275 4.411 1.00 0.00 C ATOM 0 H ILE A 97 -3.131 -5.297 3.425 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.694 -4.918 6.313 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.691 -5.711 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.654 -7.604 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.704 -7.310 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.734 -6.317 6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.310 -4.588 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.517 -5.718 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.292 -9.272 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.897 -7.984 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.168 -8.282 4.755 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.020 -2.549 6.005 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.570 -1.166 5.893 1.00 0.00 C ATOM 1500 C LYS A 98 -0.188 -0.992 6.516 1.00 0.00 C ATOM 1501 O LYS A 98 0.178 -1.708 7.448 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.569 -0.227 6.572 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.057 1.195 6.729 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.200 2.190 6.837 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.633 2.386 8.282 1.00 0.00 C ATOM 1506 NZ LYS A 98 -5.071 2.759 8.385 1.00 0.00 N ATOM 0 H LYS A 98 -2.526 -2.759 6.865 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.506 -0.915 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.491 -0.210 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.819 -0.625 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.431 1.261 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.428 1.453 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.892 3.147 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.046 1.839 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.455 1.468 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.022 3.163 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.423 2.525 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.178 3.780 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.618 2.233 7.674 1.00 0.00 H new ATOM 1520 N PHE A 99 0.574 -0.036 5.996 1.00 0.00 N ATOM 1521 CA PHE A 99 1.915 0.233 6.501 1.00 0.00 C ATOM 1522 C PHE A 99 1.881 1.293 7.598 1.00 0.00 C ATOM 1523 O PHE A 99 1.572 2.456 7.341 1.00 0.00 O ATOM 1524 CB PHE A 99 2.830 0.689 5.363 1.00 0.00 C ATOM 1525 CG PHE A 99 4.237 0.976 5.804 1.00 0.00 C ATOM 1526 CD1 PHE A 99 4.519 2.080 6.592 1.00 0.00 C ATOM 1527 CD2 PHE A 99 5.278 0.141 5.430 1.00 0.00 C ATOM 1528 CE1 PHE A 99 5.813 2.347 6.998 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.574 0.402 5.834 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.842 1.506 6.619 1.00 0.00 C ATOM 0 H PHE A 99 0.286 0.566 5.225 1.00 0.00 H new ATOM 0 HA PHE A 99 2.308 -0.691 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.849 -0.081 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.410 1.586 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.718 2.740 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.074 -0.724 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.020 3.212 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.376 -0.257 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.854 1.712 6.936 1.00 0.00 H new ATOM 1540 N GLU A 100 2.199 0.881 8.821 1.00 0.00 N ATOM 1541 CA GLU A 100 2.203 1.795 9.958 1.00 0.00 C ATOM 1542 C GLU A 100 3.546 1.757 10.682 1.00 0.00 C ATOM 1543 O GLU A 100 3.731 0.996 11.630 1.00 0.00 O ATOM 1544 CB GLU A 100 1.077 1.440 10.930 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.291 1.928 10.482 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.603 3.327 10.978 1.00 0.00 C ATOM 1547 OE1 GLU A 100 0.343 4.129 11.126 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.793 3.619 11.219 1.00 0.00 O ATOM 0 H GLU A 100 2.457 -0.079 9.050 1.00 0.00 H new ATOM 0 HA GLU A 100 2.042 2.805 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.044 0.358 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.304 1.867 11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.339 1.914 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.055 1.240 10.844 1.00 0.00 H new ATOM 1583 N ARG A 104 8.566 6.349 7.097 1.00 0.00 N ATOM 1584 CA ARG A 104 8.185 5.805 5.799 1.00 0.00 C ATOM 1585 C ARG A 104 9.220 6.159 4.735 1.00 0.00 C ATOM 1586 O ARG A 104 9.075 7.150 4.020 1.00 0.00 O ATOM 1587 CB ARG A 104 6.810 6.333 5.385 1.00 0.00 C ATOM 1588 CG ARG A 104 5.652 5.577 6.016 1.00 0.00 C ATOM 1589 CD ARG A 104 4.325 5.958 5.378 1.00 0.00 C ATOM 1590 NE ARG A 104 3.188 5.402 6.107 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.729 5.905 7.247 1.00 0.00 C ATOM 1592 NH1 ARG A 104 3.307 6.969 7.786 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.690 5.343 7.851 1.00 0.00 N ATOM 0 HA ARG A 104 8.138 4.720 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.737 7.386 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.721 6.278 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.814 4.505 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.617 5.788 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.238 7.044 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.303 5.604 4.347 1.00 0.00 H new ATOM 0 HE ARG A 104 2.721 4.582 5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.106 7.404 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.952 7.353 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.243 4.524 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.338 5.730 8.727 1.00 0.00 H new ATOM 1607 N ASP A 105 10.263 5.342 4.637 1.00 0.00 N ATOM 1608 CA ASP A 105 11.322 5.569 3.660 1.00 0.00 C ATOM 1609 C ASP A 105 11.522 4.339 2.781 1.00 0.00 C ATOM 1610 O ASP A 105 10.770 3.367 2.874 1.00 0.00 O ATOM 1611 CB ASP A 105 12.631 5.923 4.368 1.00 0.00 C ATOM 1612 CG ASP A 105 13.569 6.721 3.485 1.00 0.00 C ATOM 1613 OD1 ASP A 105 13.156 7.795 3.000 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.716 6.272 3.278 1.00 0.00 O ATOM 0 H ASP A 105 10.398 4.517 5.222 1.00 0.00 H new ATOM 0 HA ASP A 105 11.024 6.403 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.410 6.495 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.128 5.007 4.686 1.00 0.00 H new ATOM 1619 N LEU A 106 12.538 4.388 1.926 1.00 0.00 N ATOM 1620 CA LEU A 106 12.836 3.278 1.028 1.00 0.00 C ATOM 1621 C LEU A 106 13.448 2.108 1.792 1.00 0.00 C ATOM 1622 O LEU A 106 13.527 0.993 1.278 1.00 0.00 O ATOM 1623 CB LEU A 106 13.789 3.733 -0.078 1.00 0.00 C ATOM 1624 CG LEU A 106 14.050 2.724 -1.197 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.908 2.733 -2.201 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.373 3.024 -1.888 1.00 0.00 C ATOM 0 H LEU A 106 13.169 5.184 1.836 1.00 0.00 H new ATOM 0 HA LEU A 106 11.900 2.945 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.388 4.644 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.744 3.995 0.378 1.00 0.00 H new ATOM 0 HG LEU A 106 14.111 1.729 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.111 2.009 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.978 2.469 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.815 3.728 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.542 2.296 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.341 4.026 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.184 2.965 -1.162 1.00 0.00 H new ATOM 1638 N GLU A 107 13.876 2.371 3.023 1.00 0.00 N ATOM 1639 CA GLU A 107 14.479 1.339 3.858 1.00 0.00 C ATOM 1640 C GLU A 107 13.429 0.672 4.742 1.00 0.00 C ATOM 1641 O GLU A 107 13.460 -0.540 4.955 1.00 0.00 O ATOM 1642 CB GLU A 107 15.588 1.937 4.727 1.00 0.00 C ATOM 1643 CG GLU A 107 16.949 1.949 4.053 1.00 0.00 C ATOM 1644 CD GLU A 107 17.186 3.205 3.236 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.615 4.220 3.822 1.00 0.00 O ATOM 1646 OE2 GLU A 107 16.941 3.172 2.012 1.00 0.00 O ATOM 0 H GLU A 107 13.816 3.289 3.464 1.00 0.00 H new ATOM 0 HA GLU A 107 14.910 0.583 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.316 2.958 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.657 1.370 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.727 1.862 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.037 1.077 3.405 1.00 0.00 H new ATOM 1653 N HIS A 108 12.501 1.473 5.255 1.00 0.00 N ATOM 1654 CA HIS A 108 11.441 0.962 6.116 1.00 0.00 C ATOM 1655 C HIS A 108 10.338 0.306 5.290 1.00 0.00 C ATOM 1656 O HIS A 108 9.729 -0.675 5.717 1.00 0.00 O ATOM 1657 CB HIS A 108 10.855 2.091 6.965 1.00 0.00 C ATOM 1658 CG HIS A 108 11.879 2.820 7.781 1.00 0.00 C ATOM 1659 ND1 HIS A 108 12.266 4.117 7.517 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.595 2.427 8.860 1.00 0.00 C ATOM 1661 CE1 HIS A 108 13.177 4.489 8.398 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.395 3.482 9.224 1.00 0.00 N ATOM 0 H HIS A 108 12.462 2.479 5.089 1.00 0.00 H new ATOM 0 HA HIS A 108 11.874 0.209 6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.350 2.802 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 108 10.098 1.678 7.632 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.546 1.463 9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.662 5.453 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 108 14.051 3.487 10.005 1.00 0.00 H new ATOM 1671 N LEU A 109 10.086 0.856 4.107 1.00 0.00 N ATOM 1672 CA LEU A 109 9.056 0.325 3.221 1.00 0.00 C ATOM 1673 C LEU A 109 9.391 -1.099 2.789 1.00 0.00 C ATOM 1674 O LEU A 109 8.585 -2.015 2.957 1.00 0.00 O ATOM 1675 CB LEU A 109 8.903 1.221 1.990 1.00 0.00 C ATOM 1676 CG LEU A 109 8.117 2.516 2.197 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.175 3.380 0.947 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.673 2.210 2.569 1.00 0.00 C ATOM 0 H LEU A 109 10.581 1.669 3.739 1.00 0.00 H new ATOM 0 HA LEU A 109 8.114 0.307 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.898 1.477 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.415 0.645 1.204 1.00 0.00 H new ATOM 0 HG LEU A 109 8.574 3.069 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.610 4.298 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.213 3.628 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.744 2.835 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.129 3.143 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.205 1.636 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.650 1.631 3.492 1.00 0.00 H new ATOM 1690 N SER A 110 10.585 -1.279 2.234 1.00 0.00 N ATOM 1691 CA SER A 110 11.025 -2.591 1.776 1.00 0.00 C ATOM 1692 C SER A 110 10.947 -3.615 2.905 1.00 0.00 C ATOM 1693 O SER A 110 10.614 -4.779 2.682 1.00 0.00 O ATOM 1694 CB SER A 110 12.457 -2.514 1.241 1.00 0.00 C ATOM 1695 OG SER A 110 13.311 -1.861 2.163 1.00 0.00 O ATOM 0 H SER A 110 11.265 -0.532 2.091 1.00 0.00 H new ATOM 0 HA SER A 110 10.361 -2.910 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.830 -3.519 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.465 -1.979 0.291 1.00 0.00 H new ATOM 0 HG SER A 110 13.423 -0.924 1.898 1.00 0.00 H new ATOM 1701 N LYS A 111 11.257 -3.172 4.119 1.00 0.00 N ATOM 1702 CA LYS A 111 11.221 -4.046 5.285 1.00 0.00 C ATOM 1703 C LYS A 111 9.795 -4.503 5.580 1.00 0.00 C ATOM 1704 O LYS A 111 9.581 -5.473 6.306 1.00 0.00 O ATOM 1705 CB LYS A 111 11.800 -3.327 6.506 1.00 0.00 C ATOM 1706 CG LYS A 111 13.317 -3.371 6.574 1.00 0.00 C ATOM 1707 CD LYS A 111 13.820 -3.076 7.977 1.00 0.00 C ATOM 1708 CE LYS A 111 13.575 -1.625 8.363 1.00 0.00 C ATOM 1709 NZ LYS A 111 12.235 -1.435 8.984 1.00 0.00 N ATOM 0 H LYS A 111 11.536 -2.212 4.321 1.00 0.00 H new ATOM 0 HA LYS A 111 11.828 -4.925 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.475 -2.287 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.391 -3.777 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.668 -4.354 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.735 -2.645 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.320 -3.733 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.886 -3.294 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.348 -1.299 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.658 -0.995 7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.275 -0.647 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.537 -1.221 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.956 -2.305 9.481 1.00 0.00 H new ATOM 1723 N PHE A 112 8.824 -3.797 5.010 1.00 0.00 N ATOM 1724 CA PHE A 112 7.418 -4.130 5.212 1.00 0.00 C ATOM 1725 C PHE A 112 6.899 -5.008 4.077 1.00 0.00 C ATOM 1726 O PHE A 112 6.187 -5.985 4.310 1.00 0.00 O ATOM 1727 CB PHE A 112 6.579 -2.855 5.310 1.00 0.00 C ATOM 1728 CG PHE A 112 5.101 -3.101 5.212 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.484 -3.217 3.977 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.327 -3.217 6.356 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.124 -3.443 3.884 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.966 -3.444 6.270 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.364 -3.558 5.032 1.00 0.00 C ATOM 0 H PHE A 112 8.984 -2.991 4.405 1.00 0.00 H new ATOM 0 HA PHE A 112 7.332 -4.685 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.795 -2.360 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.879 -2.171 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.073 -3.130 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.793 -3.129 7.326 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.656 -3.530 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.374 -3.532 7.169 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.301 -3.737 4.962 1.00 0.00 H new ATOM 1743 N ILE A 113 7.261 -4.652 2.849 1.00 0.00 N ATOM 1744 CA ILE A 113 6.833 -5.407 1.678 1.00 0.00 C ATOM 1745 C ILE A 113 7.405 -6.820 1.695 1.00 0.00 C ATOM 1746 O ILE A 113 6.663 -7.802 1.657 1.00 0.00 O ATOM 1747 CB ILE A 113 7.257 -4.709 0.372 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.494 -3.395 0.199 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.022 -5.626 -0.819 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.148 -2.439 -0.775 1.00 0.00 C ATOM 0 H ILE A 113 7.849 -3.846 2.639 1.00 0.00 H new ATOM 0 HA ILE A 113 5.745 -5.458 1.716 1.00 0.00 H new ATOM 0 HB ILE A 113 8.322 -4.483 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.483 -3.614 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.403 -2.907 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.326 -5.119 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.607 -6.537 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.964 -5.880 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.552 -1.529 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.149 -2.190 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.214 -2.908 -1.757 1.00 0.00 H new ATOM 1762 N ASP A 114 8.728 -6.916 1.754 1.00 0.00 N ATOM 1763 CA ASP A 114 9.401 -8.209 1.780 1.00 0.00 C ATOM 1764 C ASP A 114 8.731 -9.151 2.775 1.00 0.00 C ATOM 1765 O ASP A 114 8.393 -10.285 2.440 1.00 0.00 O ATOM 1766 CB ASP A 114 10.877 -8.033 2.140 1.00 0.00 C ATOM 1767 CG ASP A 114 11.576 -9.357 2.381 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.616 -10.185 1.448 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.082 -9.565 3.504 1.00 0.00 O ATOM 0 H ASP A 114 9.356 -6.113 1.785 1.00 0.00 H new ATOM 0 HA ASP A 114 9.328 -8.649 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.383 -7.499 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 114 10.959 -7.414 3.034 1.00 0.00 H new ATOM 1774 N GLU A 115 8.543 -8.672 4.001 1.00 0.00 N ATOM 1775 CA GLU A 115 7.914 -9.472 5.045 1.00 0.00 C ATOM 1776 C GLU A 115 6.722 -10.248 4.493 1.00 0.00 C ATOM 1777 O GLU A 115 6.761 -11.474 4.384 1.00 0.00 O ATOM 1778 CB GLU A 115 7.464 -8.578 6.203 1.00 0.00 C ATOM 1779 CG GLU A 115 8.540 -8.351 7.251 1.00 0.00 C ATOM 1780 CD GLU A 115 9.246 -9.632 7.649 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.577 -10.532 8.199 1.00 0.00 O ATOM 1782 OE2 GLU A 115 10.467 -9.736 7.411 1.00 0.00 O ATOM 0 H GLU A 115 8.817 -7.735 4.295 1.00 0.00 H new ATOM 0 HA GLU A 115 8.651 -10.186 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.148 -7.614 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.593 -9.027 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.272 -7.641 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.091 -7.898 8.135 1.00 0.00 H new ATOM 1789 N HIS A 116 5.662 -9.524 4.146 1.00 0.00 N ATOM 1790 CA HIS A 116 4.458 -10.143 3.605 1.00 0.00 C ATOM 1791 C HIS A 116 4.749 -10.825 2.272 1.00 0.00 C ATOM 1792 O HIS A 116 4.094 -11.800 1.906 1.00 0.00 O ATOM 1793 CB HIS A 116 3.357 -9.097 3.427 1.00 0.00 C ATOM 1794 CG HIS A 116 2.500 -8.916 4.641 1.00 0.00 C ATOM 1795 ND1 HIS A 116 1.835 -9.956 5.256 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.202 -7.806 5.357 1.00 0.00 C ATOM 1797 CE1 HIS A 116 1.165 -9.494 6.296 1.00 0.00 C ATOM 1798 NE2 HIS A 116 1.371 -8.192 6.380 1.00 0.00 N ATOM 0 H HIS A 116 5.613 -8.509 4.230 1.00 0.00 H new ATOM 0 HA HIS A 116 4.119 -10.899 4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.814 -8.141 3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.726 -9.386 2.587 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.857 -10.930 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.553 -6.804 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.553 -10.081 6.964 1.00 0.00 H new