USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS :FLIP no HE2:sc= -3.74! C(o=-7.6!,f=-5.3!) USER MOD Set 1.2: A 148 CYS SG : rot 172:sc= -1.57! USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.419 K(o=0.5,f=-3.8!) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 173:sc= 0.0797 (180deg=-0.541) USER MOD Set 3.1: A 44 THR OG1 : rot 35:sc=-0.00672 USER MOD Set 3.2: A 47 LYS NZ :NH3+ -139:sc= -1.48 (180deg=-3.07!) USER MOD Single : A 11 CYS SG : rot 36:sc= -1.33 USER MOD Single : A 35 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 42 HIS : no HE2:sc= -0.893 K(o=-0.89,f=-2.1!) USER MOD Single : A 59 THR OG1 : rot 73:sc= -2.09! USER MOD Single : A 64 THR OG1 : rot 40:sc= -5.79! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -2.51 F(o=-10!,f=-2.5) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.611 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3.2!) USER MOD Single : A 116 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-5.2!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.9! USER MOD Single : A 129 GLN : amide:sc= -7.71! C(o=-7.7!,f=-11!) USER MOD Single : A 132 GLN :FLIP amide:sc= -8.36! C(o=-11!,f=-8.4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -154:sc= -0.651 (180deg=-1.82) USER MOD Single : A 137 LYS NZ :NH3+ -156:sc= -3.45! (180deg=-4.33!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.298 F(o=-3.5!,f=-0.3) USER MOD Single : A 145 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.062) USER MOD Single : A 149 SER OG : rot 77:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.689 -7.912 5.300 1.00 0.00 N ATOM 87 CA LEU A 8 6.396 -8.334 4.699 1.00 0.00 C ATOM 88 C LEU A 8 5.718 -7.135 4.028 1.00 0.00 C ATOM 89 O LEU A 8 5.710 -6.040 4.553 1.00 0.00 O ATOM 90 CB LEU A 8 5.467 -8.863 5.792 1.00 0.00 C ATOM 91 CG LEU A 8 6.280 -9.585 6.872 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.095 -8.570 7.670 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.329 -10.290 7.830 1.00 0.00 C ATOM 0 HA LEU A 8 6.591 -9.113 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.909 -8.039 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.736 -9.546 5.359 1.00 0.00 H new ATOM 0 HG LEU A 8 6.944 -10.305 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.671 -9.088 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.774 -8.042 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.422 -7.855 8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.904 -10.805 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.673 -9.556 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.729 -11.015 7.280 1.00 0.00 H new ATOM 105 N ARG A 9 5.128 -7.344 2.879 1.00 0.00 N ATOM 106 CA ARG A 9 4.425 -6.232 2.176 1.00 0.00 C ATOM 107 C ARG A 9 2.989 -6.168 2.689 1.00 0.00 C ATOM 108 O ARG A 9 2.348 -7.181 2.889 1.00 0.00 O ATOM 109 CB ARG A 9 4.421 -6.498 0.669 1.00 0.00 C ATOM 110 CG ARG A 9 4.055 -5.212 -0.063 1.00 0.00 C ATOM 111 CD ARG A 9 3.938 -5.492 -1.560 1.00 0.00 C ATOM 112 NE ARG A 9 3.646 -4.226 -2.283 1.00 0.00 N ATOM 113 CZ ARG A 9 4.617 -3.417 -2.591 1.00 0.00 C ATOM 114 NH1 ARG A 9 5.841 -3.704 -2.243 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.365 -2.317 -3.240 1.00 0.00 N ATOM 0 H ARG A 9 5.104 -8.242 2.396 1.00 0.00 H new ATOM 0 HA ARG A 9 4.934 -5.287 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.401 -6.848 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.706 -7.285 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.113 -4.820 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.814 -4.450 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.864 -5.930 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.146 -6.218 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 9 2.686 -3.992 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.037 -4.563 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.602 -3.069 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.407 -2.090 -3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.126 -1.682 -3.482 1.00 0.00 H new ATOM 129 N ALA A 10 2.468 -4.994 2.918 1.00 0.00 N ATOM 130 CA ALA A 10 1.072 -4.906 3.436 1.00 0.00 C ATOM 131 C ALA A 10 0.410 -3.621 2.955 1.00 0.00 C ATOM 132 O ALA A 10 1.069 -2.670 2.585 1.00 0.00 O ATOM 133 CB ALA A 10 1.092 -4.909 4.967 1.00 0.00 C ATOM 0 H ALA A 10 2.941 -4.102 2.771 1.00 0.00 H new ATOM 0 HA ALA A 10 0.509 -5.763 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.071 -4.845 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.553 -5.830 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.666 -4.054 5.325 1.00 0.00 H new ATOM 139 N CYS A 11 -0.893 -3.576 2.972 1.00 0.00 N ATOM 140 CA CYS A 11 -1.587 -2.340 2.532 1.00 0.00 C ATOM 141 C CYS A 11 -2.928 -2.216 3.264 1.00 0.00 C ATOM 142 O CYS A 11 -3.777 -3.081 3.175 1.00 0.00 O ATOM 143 CB CYS A 11 -1.831 -2.407 1.021 1.00 0.00 C ATOM 144 SG CYS A 11 -0.577 -1.423 0.162 1.00 0.00 S ATOM 0 H CYS A 11 -1.502 -4.338 3.270 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.969 -1.472 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.792 -3.442 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.827 -2.032 0.786 1.00 0.00 H new ATOM 0 HG CYS A 11 0.560 -1.530 0.784 1.00 0.00 H new ATOM 150 N GLY A 12 -3.121 -1.134 3.971 1.00 0.00 N ATOM 151 CA GLY A 12 -4.411 -0.923 4.703 1.00 0.00 C ATOM 152 C GLY A 12 -5.087 0.352 4.167 1.00 0.00 C ATOM 153 O GLY A 12 -4.547 1.011 3.304 1.00 0.00 O ATOM 0 H GLY A 12 -2.439 -0.382 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.067 -1.783 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.226 -0.830 5.773 1.00 0.00 H new ATOM 157 N LEU A 13 -6.253 0.714 4.662 1.00 0.00 N ATOM 158 CA LEU A 13 -6.915 1.956 4.145 1.00 0.00 C ATOM 159 C LEU A 13 -7.239 2.907 5.295 1.00 0.00 C ATOM 160 O LEU A 13 -8.038 2.600 6.157 1.00 0.00 O ATOM 161 CB LEU A 13 -8.237 1.609 3.425 1.00 0.00 C ATOM 162 CG LEU A 13 -8.117 1.902 1.927 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.479 1.767 1.246 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.595 3.321 1.717 1.00 0.00 C ATOM 0 H LEU A 13 -6.765 0.212 5.388 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.224 2.430 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.478 0.557 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.055 2.189 3.852 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.424 1.184 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.376 1.979 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.854 0.752 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.180 2.474 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.512 3.524 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.285 4.033 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.615 3.421 2.183 1.00 0.00 H new ATOM 176 N ILE A 14 -6.677 4.084 5.289 1.00 0.00 N ATOM 177 CA ILE A 14 -7.033 5.046 6.356 1.00 0.00 C ATOM 178 C ILE A 14 -8.294 5.744 5.879 1.00 0.00 C ATOM 179 O ILE A 14 -8.268 6.627 5.045 1.00 0.00 O ATOM 180 CB ILE A 14 -5.898 6.038 6.606 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.754 5.297 7.304 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.397 7.175 7.500 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.556 6.233 7.480 1.00 0.00 C ATOM 0 H ILE A 14 -5.999 4.413 4.602 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.200 4.544 7.309 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.551 6.458 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.086 4.931 8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.462 4.426 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.586 7.881 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.224 7.688 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.737 6.767 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.747 5.698 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.217 6.578 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.850 7.090 8.085 1.00 0.00 H new ATOM 195 N ILE A 15 -9.407 5.290 6.361 1.00 0.00 N ATOM 196 CA ILE A 15 -10.712 5.836 5.914 1.00 0.00 C ATOM 197 C ILE A 15 -11.134 7.018 6.774 1.00 0.00 C ATOM 198 O ILE A 15 -10.912 7.041 7.964 1.00 0.00 O ATOM 199 CB ILE A 15 -11.718 4.711 6.049 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.339 3.603 5.073 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.134 5.200 5.769 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.085 2.325 5.440 1.00 0.00 C ATOM 0 H ILE A 15 -9.471 4.549 7.059 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.646 6.195 4.887 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.699 4.334 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.586 3.901 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.263 3.430 5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.833 4.370 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.395 5.986 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.189 5.595 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.814 1.533 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.816 2.025 6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.159 2.503 5.388 1.00 0.00 H new ATOM 214 N PHE A 16 -11.749 7.999 6.172 1.00 0.00 N ATOM 215 CA PHE A 16 -12.187 9.176 6.961 1.00 0.00 C ATOM 216 C PHE A 16 -13.554 9.674 6.489 1.00 0.00 C ATOM 217 O PHE A 16 -13.726 10.048 5.345 1.00 0.00 O ATOM 218 CB PHE A 16 -11.162 10.292 6.793 1.00 0.00 C ATOM 219 CG PHE A 16 -11.120 10.738 5.346 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.240 10.121 4.444 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.952 11.777 4.910 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.196 10.545 3.109 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.908 12.197 3.576 1.00 0.00 C ATOM 224 CZ PHE A 16 -11.030 11.583 2.674 1.00 0.00 C ATOM 0 H PHE A 16 -11.964 8.033 5.176 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.268 8.885 8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.420 11.134 7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.177 9.943 7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.597 9.320 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.628 12.254 5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.518 10.071 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.552 12.996 3.241 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.996 11.909 1.645 1.00 0.00 H new ATOM 234 N ARG A 17 -14.513 9.720 7.377 1.00 0.00 N ATOM 235 CA ARG A 17 -15.862 10.237 7.003 1.00 0.00 C ATOM 236 C ARG A 17 -15.841 11.761 7.096 1.00 0.00 C ATOM 237 O ARG A 17 -15.633 12.316 8.155 1.00 0.00 O ATOM 238 CB ARG A 17 -16.911 9.707 7.989 1.00 0.00 C ATOM 239 CG ARG A 17 -17.386 8.318 7.559 1.00 0.00 C ATOM 240 CD ARG A 17 -18.387 7.772 8.585 1.00 0.00 C ATOM 241 NE ARG A 17 -18.713 6.355 8.251 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.397 5.620 9.091 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.813 6.125 10.222 1.00 0.00 N ATOM 244 NH2 ARG A 17 -19.669 4.376 8.791 1.00 0.00 N ATOM 0 H ARG A 17 -14.419 9.421 8.348 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.110 9.913 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.487 9.660 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.758 10.392 8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.852 8.371 6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.535 7.643 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.966 7.833 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.294 8.376 8.582 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.402 5.957 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.605 7.096 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.346 5.548 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.348 3.983 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.202 3.799 9.442 1.00 0.00 H new ATOM 258 N ARG A 18 -16.043 12.446 6.009 1.00 0.00 N ATOM 259 CA ARG A 18 -16.022 13.936 6.068 1.00 0.00 C ATOM 260 C ARG A 18 -17.450 14.480 6.170 1.00 0.00 C ATOM 261 O ARG A 18 -18.363 13.991 5.529 1.00 0.00 O ATOM 262 CB ARG A 18 -15.343 14.492 4.814 1.00 0.00 C ATOM 263 CG ARG A 18 -15.237 16.015 4.919 1.00 0.00 C ATOM 264 CD ARG A 18 -14.552 16.572 3.669 1.00 0.00 C ATOM 265 NE ARG A 18 -13.129 16.135 3.643 1.00 0.00 N ATOM 266 CZ ARG A 18 -12.214 16.845 4.252 1.00 0.00 C ATOM 267 NH1 ARG A 18 -12.538 17.946 4.877 1.00 0.00 N ATOM 268 NH2 ARG A 18 -10.971 16.449 4.239 1.00 0.00 N ATOM 0 H ARG A 18 -16.221 12.046 5.088 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.462 14.248 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.351 14.055 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.914 14.218 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.230 16.452 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.670 16.289 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.067 16.223 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.609 17.661 3.665 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.867 15.281 3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.509 18.257 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.820 18.494 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.715 15.588 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.255 17.000 4.713 1.00 0.00 H new ATOM 434 N ILE A 29 -13.683 15.636 10.952 1.00 0.00 N ATOM 435 CA ILE A 29 -13.403 14.382 10.203 1.00 0.00 C ATOM 436 C ILE A 29 -13.211 13.220 11.169 1.00 0.00 C ATOM 437 O ILE A 29 -12.573 13.345 12.196 1.00 0.00 O ATOM 438 CB ILE A 29 -12.141 14.567 9.365 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.446 15.507 8.194 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.679 13.217 8.828 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.182 16.282 7.812 1.00 0.00 C ATOM 0 HA ILE A 29 -14.248 14.159 9.552 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.353 14.996 9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.805 14.934 7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.240 16.201 8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.778 13.352 8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.464 12.548 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.464 12.784 8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.402 16.950 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.842 16.868 8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.400 15.581 7.518 1.00 0.00 H new ATOM 453 N GLU A 30 -13.759 12.091 10.835 1.00 0.00 N ATOM 454 CA GLU A 30 -13.620 10.894 11.709 1.00 0.00 C ATOM 455 C GLU A 30 -12.982 9.770 10.897 1.00 0.00 C ATOM 456 O GLU A 30 -13.037 9.773 9.688 1.00 0.00 O ATOM 457 CB GLU A 30 -14.998 10.442 12.192 1.00 0.00 C ATOM 458 CG GLU A 30 -15.645 11.542 13.030 1.00 0.00 C ATOM 459 CD GLU A 30 -16.978 11.031 13.576 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.352 9.924 13.223 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.602 11.750 14.336 1.00 0.00 O ATOM 0 H GLU A 30 -14.304 11.942 9.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.000 11.139 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.632 10.204 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.904 9.531 12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.986 11.827 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.803 12.434 12.424 1.00 0.00 H new ATOM 469 N PHE A 31 -12.363 8.814 11.540 1.00 0.00 N ATOM 470 CA PHE A 31 -11.715 7.715 10.763 1.00 0.00 C ATOM 471 C PHE A 31 -12.338 6.356 11.110 1.00 0.00 C ATOM 472 O PHE A 31 -12.821 6.144 12.207 1.00 0.00 O ATOM 473 CB PHE A 31 -10.220 7.692 11.091 1.00 0.00 C ATOM 474 CG PHE A 31 -9.590 9.015 10.701 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.239 9.260 9.366 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.347 9.992 11.679 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.652 10.480 9.007 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.759 11.212 11.320 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.412 11.454 9.983 1.00 0.00 C ATOM 0 H PHE A 31 -12.278 8.746 12.554 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.867 7.898 9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.074 7.509 12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.733 6.875 10.558 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.421 8.507 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.613 9.803 12.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.385 10.669 7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.573 11.965 12.072 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.959 12.394 9.706 1.00 0.00 H new ATOM 489 N LEU A 32 -12.313 5.421 10.187 1.00 0.00 N ATOM 490 CA LEU A 32 -12.879 4.070 10.480 1.00 0.00 C ATOM 491 C LEU A 32 -11.834 3.277 11.264 1.00 0.00 C ATOM 492 O LEU A 32 -10.689 3.180 10.873 1.00 0.00 O ATOM 493 CB LEU A 32 -13.217 3.329 9.173 1.00 0.00 C ATOM 494 CG LEU A 32 -13.585 1.873 9.481 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.787 1.827 10.425 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.954 1.149 8.188 1.00 0.00 C ATOM 0 H LEU A 32 -11.927 5.537 9.250 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.797 4.174 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.046 3.824 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.365 3.362 8.494 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.728 1.388 9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.042 0.789 10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.539 2.339 11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.638 2.320 9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.215 0.115 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.806 1.646 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.105 1.169 7.505 1.00 0.00 H new ATOM 508 N LEU A 33 -12.219 2.719 12.376 1.00 0.00 N ATOM 509 CA LEU A 33 -11.248 1.943 13.190 1.00 0.00 C ATOM 510 C LEU A 33 -11.846 0.585 13.549 1.00 0.00 C ATOM 511 O LEU A 33 -13.005 0.479 13.891 1.00 0.00 O ATOM 512 CB LEU A 33 -10.924 2.714 14.472 1.00 0.00 C ATOM 513 CG LEU A 33 -9.738 3.650 14.214 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.637 4.667 15.343 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.438 2.845 14.159 1.00 0.00 C ATOM 0 H LEU A 33 -13.164 2.767 12.756 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.334 1.793 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.792 3.289 14.794 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.685 2.019 15.277 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.893 4.160 13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.793 5.332 15.159 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.556 5.251 15.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.489 4.147 16.289 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.601 3.518 13.975 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.288 2.330 15.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.498 2.112 13.354 1.00 0.00 H new ATOM 527 N LEU A 34 -11.058 -0.452 13.478 1.00 0.00 N ATOM 528 CA LEU A 34 -11.572 -1.807 13.826 1.00 0.00 C ATOM 529 C LEU A 34 -10.913 -2.280 15.123 1.00 0.00 C ATOM 530 O LEU A 34 -9.739 -2.061 15.347 1.00 0.00 O ATOM 531 CB LEU A 34 -11.250 -2.783 12.691 1.00 0.00 C ATOM 532 CG LEU A 34 -11.787 -2.212 11.376 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.434 -3.142 10.220 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.306 -2.085 11.470 1.00 0.00 C ATOM 0 H LEU A 34 -10.079 -0.420 13.194 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.652 -1.766 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.173 -2.939 12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.700 -3.755 12.891 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.339 -1.234 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.820 -2.728 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.351 -3.242 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.879 -4.122 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.696 -1.679 10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.743 -3.068 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.565 -1.418 12.292 1.00 0.00 H new ATOM 546 N GLN A 35 -11.658 -2.919 15.986 1.00 0.00 N ATOM 547 CA GLN A 35 -11.067 -3.393 17.272 1.00 0.00 C ATOM 548 C GLN A 35 -10.608 -4.846 17.137 1.00 0.00 C ATOM 549 O GLN A 35 -11.356 -5.714 16.741 1.00 0.00 O ATOM 550 CB GLN A 35 -12.114 -3.307 18.385 1.00 0.00 C ATOM 551 CG GLN A 35 -11.476 -3.669 19.729 1.00 0.00 C ATOM 552 CD GLN A 35 -12.511 -3.493 20.843 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.564 -2.927 20.623 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.259 -3.961 22.036 1.00 0.00 N ATOM 0 H GLN A 35 -12.647 -3.133 15.857 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.212 -2.762 17.516 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.529 -2.300 18.429 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.941 -3.984 18.171 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.117 -4.698 19.709 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.611 -3.033 19.917 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.376 -4.436 22.221 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.946 -3.851 22.782 1.00 0.00 H new ATOM 641 N HIS A 42 -5.921 -3.399 20.530 1.00 0.00 N ATOM 642 CA HIS A 42 -5.616 -2.076 19.910 1.00 0.00 C ATOM 643 C HIS A 42 -6.522 -1.849 18.695 1.00 0.00 C ATOM 644 O HIS A 42 -7.012 -2.782 18.094 1.00 0.00 O ATOM 645 CB HIS A 42 -4.151 -2.048 19.469 1.00 0.00 C ATOM 646 CG HIS A 42 -3.883 -3.200 18.535 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.998 -4.523 18.944 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.518 -3.249 17.211 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.707 -5.300 17.885 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.409 -4.574 16.808 1.00 0.00 N ATOM 0 HA HIS A 42 -5.794 -1.286 20.640 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.928 -1.104 18.972 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.497 -2.112 20.339 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.256 -4.846 19.877 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.343 -2.390 16.581 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.714 -6.380 17.905 1.00 0.00 H new ATOM 659 N TRP A 43 -6.746 -0.615 18.327 1.00 0.00 N ATOM 660 CA TRP A 43 -7.619 -0.341 17.150 1.00 0.00 C ATOM 661 C TRP A 43 -6.746 0.009 15.943 1.00 0.00 C ATOM 662 O TRP A 43 -5.816 0.784 16.040 1.00 0.00 O ATOM 663 CB TRP A 43 -8.545 0.841 17.458 1.00 0.00 C ATOM 664 CG TRP A 43 -9.404 0.523 18.640 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.965 0.400 19.913 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.840 0.299 18.680 1.00 0.00 C ATOM 667 NE1 TRP A 43 -10.042 0.102 20.731 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.219 0.029 20.017 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.839 0.298 17.694 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.548 -0.232 20.359 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.176 0.037 18.036 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.527 -0.226 19.367 1.00 0.00 C ATOM 0 H TRP A 43 -6.364 0.211 18.788 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.217 -1.226 16.931 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.954 1.735 17.658 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.170 1.059 16.592 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.942 0.515 20.239 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.973 -0.045 21.738 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.578 0.499 16.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.815 -0.437 21.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.937 0.039 17.270 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.557 -0.424 19.624 1.00 0.00 H new ATOM 683 N THR A 44 -7.039 -0.553 14.799 1.00 0.00 N ATOM 684 CA THR A 44 -6.230 -0.245 13.588 1.00 0.00 C ATOM 685 C THR A 44 -7.126 -0.311 12.349 1.00 0.00 C ATOM 686 O THR A 44 -8.105 -1.030 12.326 1.00 0.00 O ATOM 687 CB THR A 44 -5.105 -1.272 13.451 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.590 -2.555 13.816 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.948 -0.882 14.370 1.00 0.00 C ATOM 0 H THR A 44 -7.804 -1.212 14.654 1.00 0.00 H new ATOM 0 HA THR A 44 -5.804 0.754 13.681 1.00 0.00 H new ATOM 0 HB THR A 44 -4.756 -1.297 12.419 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.525 -2.643 13.535 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.145 -1.613 14.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.577 0.104 14.090 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.296 -0.859 15.403 1.00 0.00 H new ATOM 697 N PRO A 45 -6.791 0.424 11.323 1.00 0.00 N ATOM 698 CA PRO A 45 -7.576 0.439 10.055 1.00 0.00 C ATOM 699 C PRO A 45 -7.468 -0.898 9.318 1.00 0.00 C ATOM 700 O PRO A 45 -6.554 -1.660 9.545 1.00 0.00 O ATOM 701 CB PRO A 45 -6.939 1.561 9.228 1.00 0.00 C ATOM 702 CG PRO A 45 -5.568 1.746 9.788 1.00 0.00 C ATOM 703 CD PRO A 45 -5.631 1.322 11.257 1.00 0.00 C ATOM 0 HA PRO A 45 -8.639 0.598 10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.898 1.294 8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.520 2.480 9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.843 1.143 9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.251 2.785 9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.717 0.815 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.755 2.182 11.915 1.00 0.00 H new ATOM 711 N PRO A 46 -8.395 -1.180 8.445 1.00 0.00 N ATOM 712 CA PRO A 46 -8.404 -2.449 7.666 1.00 0.00 C ATOM 713 C PRO A 46 -7.019 -2.794 7.107 1.00 0.00 C ATOM 714 O PRO A 46 -6.611 -2.285 6.083 1.00 0.00 O ATOM 715 CB PRO A 46 -9.385 -2.168 6.526 1.00 0.00 C ATOM 716 CG PRO A 46 -10.300 -1.103 7.034 1.00 0.00 C ATOM 717 CD PRO A 46 -9.534 -0.319 8.105 1.00 0.00 C ATOM 0 HA PRO A 46 -8.686 -3.302 8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.860 -1.838 5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.941 -3.066 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.610 -0.444 6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.206 -1.542 7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.202 0.648 7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.158 -0.124 8.977 1.00 0.00 H new ATOM 725 N LYS A 47 -6.290 -3.657 7.767 1.00 0.00 N ATOM 726 CA LYS A 47 -4.936 -4.023 7.253 1.00 0.00 C ATOM 727 C LYS A 47 -5.000 -5.367 6.523 1.00 0.00 C ATOM 728 O LYS A 47 -5.662 -6.288 6.957 1.00 0.00 O ATOM 729 CB LYS A 47 -3.936 -4.138 8.406 1.00 0.00 C ATOM 730 CG LYS A 47 -3.771 -2.792 9.102 1.00 0.00 C ATOM 731 CD LYS A 47 -2.547 -2.850 10.011 1.00 0.00 C ATOM 732 CE LYS A 47 -2.750 -3.921 11.090 1.00 0.00 C ATOM 733 NZ LYS A 47 -4.133 -3.825 11.644 1.00 0.00 N ATOM 0 H LYS A 47 -6.570 -4.120 8.631 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.610 -3.241 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.280 -4.885 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.973 -4.480 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.655 -1.998 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.662 -2.558 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.657 -3.077 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.382 -1.878 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.586 -4.912 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.019 -3.790 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.104 -3.957 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.530 -2.889 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.730 -4.562 11.217 1.00 0.00 H new ATOM 747 N GLY A 48 -4.299 -5.491 5.427 1.00 0.00 N ATOM 748 CA GLY A 48 -4.305 -6.781 4.679 1.00 0.00 C ATOM 749 C GLY A 48 -2.940 -7.001 4.029 1.00 0.00 C ATOM 750 O GLY A 48 -2.070 -6.157 4.084 1.00 0.00 O ATOM 0 H GLY A 48 -3.723 -4.755 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.534 -7.604 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.084 -6.768 3.917 1.00 0.00 H new ATOM 754 N HIS A 49 -2.745 -8.134 3.410 1.00 0.00 N ATOM 755 CA HIS A 49 -1.438 -8.409 2.749 1.00 0.00 C ATOM 756 C HIS A 49 -1.644 -8.394 1.235 1.00 0.00 C ATOM 757 O HIS A 49 -2.595 -8.959 0.725 1.00 0.00 O ATOM 758 CB HIS A 49 -0.909 -9.788 3.176 1.00 0.00 C ATOM 759 CG HIS A 49 -0.729 -9.830 4.674 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.612 -10.511 5.500 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.220 -9.284 5.511 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.184 -10.360 6.767 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.076 -9.621 6.827 1.00 0.00 N ATOM 0 H HIS A 49 -3.435 -8.881 3.334 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.715 -7.648 3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.605 -10.567 2.863 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.041 -9.992 2.681 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.436 -11.032 5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.062 -8.687 5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.677 -10.785 7.629 1.00 0.00 H new ATOM 772 N VAL A 50 -0.778 -7.752 0.502 1.00 0.00 N ATOM 773 CA VAL A 50 -0.954 -7.714 -0.977 1.00 0.00 C ATOM 774 C VAL A 50 -0.525 -9.053 -1.579 1.00 0.00 C ATOM 775 O VAL A 50 0.489 -9.620 -1.217 1.00 0.00 O ATOM 776 CB VAL A 50 -0.116 -6.574 -1.568 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.670 -5.891 -0.455 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.853 -7.123 -2.619 1.00 0.00 C ATOM 0 H VAL A 50 0.038 -7.255 0.859 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.003 -7.539 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.781 -5.852 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.266 -5.081 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.022 -5.487 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.329 -6.616 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.443 -6.305 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.518 -7.852 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.289 -7.603 -3.418 1.00 0.00 H new ATOM 788 N GLU A 51 -1.295 -9.560 -2.496 1.00 0.00 N ATOM 789 CA GLU A 51 -0.952 -10.858 -3.131 1.00 0.00 C ATOM 790 C GLU A 51 0.237 -10.661 -4.073 1.00 0.00 C ATOM 791 O GLU A 51 0.776 -9.581 -4.188 1.00 0.00 O ATOM 792 CB GLU A 51 -2.164 -11.364 -3.919 1.00 0.00 C ATOM 793 CG GLU A 51 -2.685 -12.679 -3.320 1.00 0.00 C ATOM 794 CD GLU A 51 -3.781 -12.373 -2.299 1.00 0.00 C ATOM 795 OE1 GLU A 51 -3.444 -12.100 -1.160 1.00 0.00 O ATOM 796 OE2 GLU A 51 -4.941 -12.413 -2.674 1.00 0.00 O ATOM 0 H GLU A 51 -2.154 -9.127 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.686 -11.589 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.954 -10.613 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.889 -11.517 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.077 -13.321 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.869 -13.222 -2.843 1.00 0.00 H new ATOM 804 N PRO A 52 0.645 -11.712 -4.726 1.00 0.00 N ATOM 805 CA PRO A 52 1.797 -11.691 -5.666 1.00 0.00 C ATOM 806 C PRO A 52 1.797 -10.433 -6.546 1.00 0.00 C ATOM 807 O PRO A 52 1.951 -9.330 -6.059 1.00 0.00 O ATOM 808 CB PRO A 52 1.597 -12.960 -6.502 1.00 0.00 C ATOM 809 CG PRO A 52 0.839 -13.901 -5.624 1.00 0.00 C ATOM 810 CD PRO A 52 0.036 -13.049 -4.640 1.00 0.00 C ATOM 0 HA PRO A 52 2.757 -11.667 -5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.044 -12.745 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.554 -13.387 -6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.177 -14.532 -6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.520 -14.565 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.020 -13.022 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.097 -13.448 -3.628 1.00 0.00 H new ATOM 818 N GLY A 53 1.612 -10.582 -7.829 1.00 0.00 N ATOM 819 CA GLY A 53 1.589 -9.387 -8.725 1.00 0.00 C ATOM 820 C GLY A 53 0.323 -8.582 -8.437 1.00 0.00 C ATOM 821 O GLY A 53 -0.191 -7.883 -9.284 1.00 0.00 O ATOM 0 H GLY A 53 1.476 -11.478 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.474 -8.772 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.610 -9.698 -9.770 1.00 0.00 H new ATOM 825 N GLU A 54 -0.186 -8.683 -7.240 1.00 0.00 N ATOM 826 CA GLU A 54 -1.419 -7.933 -6.888 1.00 0.00 C ATOM 827 C GLU A 54 -1.093 -6.452 -6.724 1.00 0.00 C ATOM 828 O GLU A 54 0.015 -6.085 -6.389 1.00 0.00 O ATOM 829 CB GLU A 54 -1.989 -8.467 -5.579 1.00 0.00 C ATOM 830 CG GLU A 54 -3.299 -7.746 -5.286 1.00 0.00 C ATOM 831 CD GLU A 54 -3.865 -8.200 -3.940 1.00 0.00 C ATOM 832 OE1 GLU A 54 -5.078 -8.285 -3.829 1.00 0.00 O ATOM 833 OE2 GLU A 54 -3.081 -8.442 -3.039 1.00 0.00 O ATOM 0 H GLU A 54 0.202 -9.255 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.151 -8.060 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.157 -9.542 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.281 -8.309 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.134 -6.669 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.019 -7.950 -6.078 1.00 0.00 H new ATOM 841 N ASP A 55 -2.045 -5.592 -6.964 1.00 0.00 N ATOM 842 CA ASP A 55 -1.769 -4.135 -6.823 1.00 0.00 C ATOM 843 C ASP A 55 -1.654 -3.757 -5.360 1.00 0.00 C ATOM 844 O ASP A 55 -2.090 -4.467 -4.471 1.00 0.00 O ATOM 845 CB ASP A 55 -2.885 -3.306 -7.435 1.00 0.00 C ATOM 846 CG ASP A 55 -2.413 -1.857 -7.607 1.00 0.00 C ATOM 847 OD1 ASP A 55 -2.266 -1.439 -8.742 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.207 -1.193 -6.602 1.00 0.00 O ATOM 0 H ASP A 55 -2.994 -5.833 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.832 -3.932 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.174 -3.722 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.768 -3.338 -6.797 1.00 0.00 H new ATOM 854 N ASP A 56 -1.068 -2.629 -5.119 1.00 0.00 N ATOM 855 CA ASP A 56 -0.903 -2.151 -3.722 1.00 0.00 C ATOM 856 C ASP A 56 -2.230 -1.598 -3.194 1.00 0.00 C ATOM 857 O ASP A 56 -2.811 -2.134 -2.273 1.00 0.00 O ATOM 858 CB ASP A 56 0.164 -1.057 -3.679 1.00 0.00 C ATOM 859 CG ASP A 56 1.499 -1.622 -4.174 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.322 -0.840 -4.617 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.678 -2.827 -4.099 1.00 0.00 O ATOM 0 H ASP A 56 -0.691 -2.008 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.594 -2.986 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.139 -0.215 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.272 -0.680 -2.662 1.00 0.00 H new ATOM 867 N LEU A 57 -2.710 -0.520 -3.763 1.00 0.00 N ATOM 868 CA LEU A 57 -3.995 0.072 -3.277 1.00 0.00 C ATOM 869 C LEU A 57 -5.108 -0.978 -3.314 1.00 0.00 C ATOM 870 O LEU A 57 -5.882 -1.105 -2.390 1.00 0.00 O ATOM 871 CB LEU A 57 -4.378 1.260 -4.170 1.00 0.00 C ATOM 872 CG LEU A 57 -5.717 1.850 -3.717 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.655 2.192 -2.226 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.999 3.122 -4.516 1.00 0.00 C ATOM 0 H LEU A 57 -2.270 -0.026 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.865 0.412 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.602 2.024 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.447 0.937 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.510 1.122 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.610 2.611 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.448 1.288 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.863 2.921 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.951 3.547 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.202 3.845 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.045 2.882 -5.578 1.00 0.00 H new ATOM 886 N GLU A 58 -5.194 -1.734 -4.374 1.00 0.00 N ATOM 887 CA GLU A 58 -6.257 -2.769 -4.467 1.00 0.00 C ATOM 888 C GLU A 58 -6.201 -3.657 -3.228 1.00 0.00 C ATOM 889 O GLU A 58 -7.218 -4.000 -2.656 1.00 0.00 O ATOM 890 CB GLU A 58 -6.022 -3.615 -5.716 1.00 0.00 C ATOM 891 CG GLU A 58 -6.298 -2.776 -6.971 1.00 0.00 C ATOM 892 CD GLU A 58 -5.511 -1.462 -6.925 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.971 -0.502 -7.522 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.468 -1.432 -6.298 1.00 0.00 O ATOM 0 H GLU A 58 -4.572 -1.678 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.236 -2.293 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.995 -3.981 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.672 -4.490 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.021 -3.341 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.365 -2.565 -7.047 1.00 0.00 H new ATOM 902 N THR A 59 -5.026 -4.015 -2.783 1.00 0.00 N ATOM 903 CA THR A 59 -4.943 -4.853 -1.559 1.00 0.00 C ATOM 904 C THR A 59 -5.684 -4.130 -0.437 1.00 0.00 C ATOM 905 O THR A 59 -6.421 -4.724 0.324 1.00 0.00 O ATOM 906 CB THR A 59 -3.479 -5.057 -1.177 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.811 -5.730 -2.234 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.400 -5.889 0.104 1.00 0.00 C ATOM 0 H THR A 59 -4.133 -3.766 -3.209 1.00 0.00 H new ATOM 0 HA THR A 59 -5.394 -5.830 -1.733 1.00 0.00 H new ATOM 0 HB THR A 59 -3.002 -4.092 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.691 -5.116 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.355 -6.036 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.917 -5.367 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.871 -6.858 -0.062 1.00 0.00 H new ATOM 916 N ALA A 60 -5.511 -2.838 -0.351 1.00 0.00 N ATOM 917 CA ALA A 60 -6.223 -2.058 0.697 1.00 0.00 C ATOM 918 C ALA A 60 -7.714 -2.065 0.361 1.00 0.00 C ATOM 919 O ALA A 60 -8.550 -2.367 1.188 1.00 0.00 O ATOM 920 CB ALA A 60 -5.702 -0.617 0.710 1.00 0.00 C ATOM 0 H ALA A 60 -4.906 -2.290 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.055 -2.499 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.225 -0.048 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.633 -0.618 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.877 -0.158 -0.263 1.00 0.00 H new ATOM 926 N LEU A 61 -8.042 -1.754 -0.864 1.00 0.00 N ATOM 927 CA LEU A 61 -9.469 -1.751 -1.292 1.00 0.00 C ATOM 928 C LEU A 61 -10.103 -3.085 -0.937 1.00 0.00 C ATOM 929 O LEU A 61 -11.133 -3.155 -0.300 1.00 0.00 O ATOM 930 CB LEU A 61 -9.508 -1.627 -2.805 1.00 0.00 C ATOM 931 CG LEU A 61 -8.832 -0.344 -3.235 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.778 -0.328 -4.760 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.639 0.845 -2.714 1.00 0.00 C ATOM 0 H LEU A 61 -7.375 -1.500 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.997 -0.932 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.009 -2.482 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.541 -1.638 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.821 -0.280 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.294 0.589 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.210 -1.189 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.791 -0.372 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.158 1.774 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.648 0.807 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.687 0.803 -1.626 1.00 0.00 H new ATOM 945 N ARG A 62 -9.474 -4.140 -1.360 1.00 0.00 N ATOM 946 CA ARG A 62 -9.993 -5.498 -1.079 1.00 0.00 C ATOM 947 C ARG A 62 -9.942 -5.769 0.425 1.00 0.00 C ATOM 948 O ARG A 62 -10.868 -6.306 0.995 1.00 0.00 O ATOM 949 CB ARG A 62 -9.127 -6.500 -1.836 1.00 0.00 C ATOM 950 CG ARG A 62 -9.600 -6.574 -3.292 1.00 0.00 C ATOM 951 CD ARG A 62 -8.768 -7.611 -4.051 1.00 0.00 C ATOM 952 NE ARG A 62 -9.050 -8.960 -3.497 1.00 0.00 N ATOM 953 CZ ARG A 62 -10.159 -9.564 -3.808 1.00 0.00 C ATOM 954 NH1 ARG A 62 -11.032 -8.967 -4.579 1.00 0.00 N ATOM 955 NH2 ARG A 62 -10.399 -10.757 -3.345 1.00 0.00 N ATOM 0 H ARG A 62 -8.608 -4.116 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.030 -5.588 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.080 -6.198 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.193 -7.483 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.656 -6.843 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.503 -5.597 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.010 -7.583 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.706 -7.381 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.378 -9.410 -2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.842 -8.030 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.902 -9.439 -4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.718 -11.216 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.268 -11.233 -3.587 1.00 0.00 H new ATOM 969 N ALA A 63 -8.878 -5.384 1.079 1.00 0.00 N ATOM 970 CA ALA A 63 -8.787 -5.607 2.549 1.00 0.00 C ATOM 971 C ALA A 63 -9.771 -4.669 3.249 1.00 0.00 C ATOM 972 O ALA A 63 -10.313 -4.978 4.294 1.00 0.00 O ATOM 973 CB ALA A 63 -7.361 -5.313 3.022 1.00 0.00 C ATOM 0 H ALA A 63 -8.070 -4.926 0.658 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.033 -6.642 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.294 -5.476 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.664 -5.976 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.109 -4.277 2.795 1.00 0.00 H new ATOM 979 N THR A 64 -10.003 -3.524 2.668 1.00 0.00 N ATOM 980 CA THR A 64 -10.951 -2.543 3.269 1.00 0.00 C ATOM 981 C THR A 64 -12.345 -3.166 3.382 1.00 0.00 C ATOM 982 O THR A 64 -12.989 -3.074 4.408 1.00 0.00 O ATOM 983 CB THR A 64 -11.017 -1.309 2.366 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.711 -0.773 2.204 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.933 -0.251 2.978 1.00 0.00 C ATOM 0 H THR A 64 -9.572 -3.223 1.794 1.00 0.00 H new ATOM 0 HA THR A 64 -10.607 -2.263 4.265 1.00 0.00 H new ATOM 0 HB THR A 64 -11.418 -1.601 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.066 -1.505 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.970 0.621 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.936 -0.661 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.547 0.044 3.954 1.00 0.00 H new ATOM 993 N GLN A 65 -12.822 -3.794 2.344 1.00 0.00 N ATOM 994 CA GLN A 65 -14.178 -4.405 2.413 1.00 0.00 C ATOM 995 C GLN A 65 -14.106 -5.759 3.123 1.00 0.00 C ATOM 996 O GLN A 65 -14.991 -6.113 3.881 1.00 0.00 O ATOM 997 CB GLN A 65 -14.749 -4.578 1.001 1.00 0.00 C ATOM 998 CG GLN A 65 -14.554 -6.022 0.528 1.00 0.00 C ATOM 999 CD GLN A 65 -14.960 -6.137 -0.945 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.112 -5.968 -1.286 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -14.055 -6.419 -1.839 1.00 0.00 N ATOM 0 H GLN A 65 -12.335 -3.910 1.456 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.836 -3.745 2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.809 -4.325 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.254 -3.892 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.513 -6.319 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.154 -6.699 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.086 -6.562 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.316 -6.497 -2.822 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.079 -6.524 2.885 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.981 -7.852 3.552 1.00 0.00 C ATOM 1012 C GLU A 66 -12.920 -7.676 5.068 1.00 0.00 C ATOM 1013 O GLU A 66 -13.471 -8.459 5.815 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.715 -8.568 3.083 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.876 -8.993 1.623 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.652 -9.801 1.190 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.651 -10.286 0.068 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -9.739 -9.927 1.989 1.00 0.00 O ATOM 0 H GLU A 66 -12.307 -6.290 2.261 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.860 -8.442 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.853 -7.909 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.526 -9.441 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.780 -9.590 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.989 -8.115 0.988 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.240 -6.663 5.530 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.125 -6.446 7.002 1.00 0.00 C ATOM 1028 C GLU A 67 -13.052 -5.306 7.450 1.00 0.00 C ATOM 1029 O GLU A 67 -13.028 -4.896 8.594 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.675 -6.080 7.334 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.742 -7.196 6.851 1.00 0.00 C ATOM 1032 CD GLU A 67 -10.061 -8.489 7.604 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -10.598 -8.396 8.697 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.768 -9.548 7.072 1.00 0.00 O ATOM 0 H GLU A 67 -11.758 -5.975 4.952 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.415 -7.358 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.409 -5.137 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.562 -5.937 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.864 -7.348 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.703 -6.913 7.017 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.861 -4.787 6.564 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.777 -3.670 6.959 1.00 0.00 C ATOM 1044 C ALA A 68 -16.041 -3.710 6.115 1.00 0.00 C ATOM 1045 O ALA A 68 -17.064 -3.185 6.491 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.086 -2.326 6.733 1.00 0.00 C ATOM 0 H ALA A 68 -13.929 -5.084 5.590 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.030 -3.787 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.758 -1.518 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.179 -2.277 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.827 -2.223 5.679 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.979 -4.312 4.968 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.184 -4.367 4.102 1.00 0.00 C ATOM 1054 C GLY A 69 -17.224 -3.136 3.205 1.00 0.00 C ATOM 1055 O GLY A 69 -18.067 -3.016 2.336 1.00 0.00 O ATOM 0 H GLY A 69 -15.148 -4.768 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.167 -5.272 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.084 -4.412 4.716 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.317 -2.217 3.395 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.316 -1.008 2.533 1.00 0.00 C ATOM 1061 C ILE A 70 -15.222 -1.154 1.474 1.00 0.00 C ATOM 1062 O ILE A 70 -14.084 -1.450 1.778 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.036 0.245 3.362 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.858 0.226 4.652 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.469 1.451 2.534 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.225 1.155 5.691 1.00 0.00 C ATOM 0 H ILE A 70 -15.584 -2.252 4.104 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.295 -0.910 2.063 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.977 0.289 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.881 0.541 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.910 -0.790 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.283 2.365 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.902 1.476 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.533 1.374 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.817 1.135 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.210 0.821 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.196 2.172 5.300 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.556 -0.942 0.228 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.533 -1.063 -0.850 1.00 0.00 C ATOM 1080 C GLU A 71 -14.466 0.253 -1.619 1.00 0.00 C ATOM 1081 O GLU A 71 -15.236 1.159 -1.375 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.908 -2.203 -1.800 1.00 0.00 C ATOM 1083 CG GLU A 71 -15.657 -1.648 -3.011 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.316 -2.799 -3.775 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -16.037 -3.940 -3.445 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.091 -2.519 -4.675 1.00 0.00 O ATOM 0 H GLU A 71 -16.492 -0.691 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.560 -1.281 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.009 -2.726 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.530 -2.932 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.413 -0.932 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.968 -1.112 -3.664 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.555 0.374 -2.539 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.449 1.649 -3.306 1.00 0.00 C ATOM 1096 C ALA A 72 -14.803 1.995 -3.912 1.00 0.00 C ATOM 1097 O ALA A 72 -15.162 3.150 -4.028 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.399 1.507 -4.403 1.00 0.00 C ATOM 0 H ALA A 72 -12.881 -0.348 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.146 2.452 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.326 2.441 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.433 1.276 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.687 0.703 -5.080 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.575 1.014 -4.274 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.913 1.312 -4.841 1.00 0.00 C ATOM 1106 C GLY A 73 -17.752 1.971 -3.747 1.00 0.00 C ATOM 1107 O GLY A 73 -18.840 2.451 -3.985 1.00 0.00 O ATOM 0 H GLY A 73 -15.339 0.024 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.823 1.973 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.392 0.397 -5.190 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.247 1.986 -2.535 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.014 2.602 -1.414 1.00 0.00 C ATOM 1113 C GLN A 74 -17.244 3.774 -0.792 1.00 0.00 C ATOM 1114 O GLN A 74 -17.812 4.555 -0.054 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.282 1.548 -0.348 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.166 0.450 -0.938 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.585 -0.515 0.169 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -19.236 -0.327 1.315 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.329 -1.544 -0.124 1.00 0.00 N ATOM 0 H GLN A 74 -16.339 1.598 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.955 2.984 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.342 1.124 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.771 2.002 0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.047 0.889 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.626 -0.087 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.623 -1.703 -1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.617 -2.191 0.610 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.975 3.931 -1.083 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.237 5.092 -0.499 1.00 0.00 C ATOM 1130 C LEU A 75 -14.559 5.883 -1.611 1.00 0.00 C ATOM 1131 O LEU A 75 -14.704 5.595 -2.783 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.156 4.671 0.520 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.977 3.156 0.560 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.724 2.799 -0.244 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.788 2.690 2.009 1.00 0.00 C ATOM 0 H LEU A 75 -15.428 3.318 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.978 5.696 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.208 5.143 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.431 5.031 1.511 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.857 2.669 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.577 1.719 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.845 3.134 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.856 3.290 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.661 1.608 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.904 3.167 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.664 2.964 2.596 1.00 0.00 H new ATOM 1147 N THR A 76 -13.813 6.875 -1.232 1.00 0.00 N ATOM 1148 CA THR A 76 -13.089 7.712 -2.225 1.00 0.00 C ATOM 1149 C THR A 76 -11.626 7.779 -1.808 1.00 0.00 C ATOM 1150 O THR A 76 -11.296 8.329 -0.780 1.00 0.00 O ATOM 1151 CB THR A 76 -13.688 9.123 -2.233 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.978 9.094 -2.833 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.772 10.067 -3.015 1.00 0.00 C ATOM 0 H THR A 76 -13.670 7.148 -0.260 1.00 0.00 H new ATOM 0 HA THR A 76 -13.178 7.284 -3.223 1.00 0.00 H new ATOM 0 HB THR A 76 -13.780 9.481 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.358 9.997 -2.835 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.200 11.069 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.790 10.094 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.673 9.711 -4.040 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.747 7.215 -2.588 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.308 7.240 -2.211 1.00 0.00 C ATOM 1163 C ILE A 77 -8.716 8.587 -2.612 1.00 0.00 C ATOM 1164 O ILE A 77 -8.909 9.063 -3.714 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.560 6.108 -2.925 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.399 4.822 -2.870 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.205 5.871 -2.241 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.456 4.291 -1.433 1.00 0.00 C ATOM 0 H ILE A 77 -10.961 6.741 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.208 7.100 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.393 6.386 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.407 5.021 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.967 4.068 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.676 5.066 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.610 6.783 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.367 5.596 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.053 3.379 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.446 4.074 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.909 5.041 -0.786 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.011 9.218 -1.716 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.422 10.544 -2.044 1.00 0.00 C ATOM 1182 C ILE A 78 -6.043 10.367 -2.666 1.00 0.00 C ATOM 1183 O ILE A 78 -5.289 9.481 -2.309 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.327 11.399 -0.781 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.363 12.520 -0.868 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.919 11.999 -0.649 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.761 11.911 -0.985 1.00 0.00 C ATOM 0 H ILE A 78 -7.818 8.875 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.066 11.049 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.521 10.779 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.304 13.155 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.157 13.154 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.865 12.606 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.185 11.195 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.706 12.622 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.501 12.709 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.815 11.295 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.964 11.295 -0.109 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.725 11.202 -3.611 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.409 11.107 -4.301 1.00 0.00 C ATOM 1201 C GLU A 79 -3.493 12.248 -3.847 1.00 0.00 C ATOM 1202 O GLU A 79 -3.942 13.316 -3.476 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.631 11.196 -5.812 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.559 10.065 -6.256 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.752 10.137 -7.772 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.254 11.076 -8.367 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.403 9.258 -8.311 1.00 0.00 O ATOM 0 H GLU A 79 -6.327 11.956 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.937 10.157 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.066 12.161 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.678 11.126 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.135 9.100 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.521 10.149 -5.751 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.206 12.028 -3.878 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.251 13.091 -3.455 1.00 0.00 C ATOM 1217 C GLY A 80 -0.690 12.740 -2.080 1.00 0.00 C ATOM 1218 O GLY A 80 0.370 13.193 -1.700 1.00 0.00 O ATOM 0 H GLY A 80 -1.774 11.154 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.442 13.180 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.755 14.057 -3.420 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.384 11.925 -1.335 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.876 11.540 0.005 1.00 0.00 C ATOM 1224 C PHE A 81 -0.461 10.071 0.001 1.00 0.00 C ATOM 1225 O PHE A 81 -1.238 9.196 -0.332 1.00 0.00 O ATOM 1226 CB PHE A 81 -1.965 11.745 1.053 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.504 11.129 2.346 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.725 9.768 2.580 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.841 11.909 3.300 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.286 9.183 3.768 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.403 11.322 4.493 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.623 9.959 4.724 1.00 0.00 C ATOM 0 H PHE A 81 -2.279 11.511 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.015 12.164 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.164 12.808 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.897 11.285 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.236 9.169 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.668 12.959 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.458 8.132 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.105 11.921 5.235 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.280 9.506 5.642 1.00 0.00 H new ATOM 1242 N LYS A 82 0.750 9.782 0.393 1.00 0.00 N ATOM 1243 CA LYS A 82 1.189 8.363 0.436 1.00 0.00 C ATOM 1244 C LYS A 82 2.308 8.198 1.454 1.00 0.00 C ATOM 1245 O LYS A 82 3.271 8.942 1.477 1.00 0.00 O ATOM 1246 CB LYS A 82 1.706 7.908 -0.921 1.00 0.00 C ATOM 1247 CG LYS A 82 1.390 6.415 -1.091 1.00 0.00 C ATOM 1248 CD LYS A 82 1.891 5.924 -2.447 1.00 0.00 C ATOM 1249 CE LYS A 82 3.407 5.727 -2.401 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.041 6.499 -3.507 1.00 0.00 N ATOM 0 H LYS A 82 1.450 10.465 0.684 1.00 0.00 H new ATOM 0 HA LYS A 82 0.327 7.757 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.238 8.487 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.780 8.078 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.860 5.842 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.315 6.251 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.401 4.986 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.632 6.645 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.799 6.059 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.650 4.669 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.072 6.366 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.675 6.162 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.819 7.509 -3.397 1.00 0.00 H new ATOM 1264 N ARG A 83 2.184 7.211 2.282 1.00 0.00 N ATOM 1265 CA ARG A 83 3.220 6.934 3.309 1.00 0.00 C ATOM 1266 C ARG A 83 3.018 5.511 3.819 1.00 0.00 C ATOM 1267 O ARG A 83 1.903 5.048 3.941 1.00 0.00 O ATOM 1268 CB ARG A 83 3.067 7.916 4.472 1.00 0.00 C ATOM 1269 CG ARG A 83 4.189 7.694 5.490 1.00 0.00 C ATOM 1270 CD ARG A 83 5.476 8.372 5.007 1.00 0.00 C ATOM 1271 NE ARG A 83 6.558 8.156 6.011 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.572 8.858 7.111 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.632 9.740 7.334 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.520 8.676 7.991 1.00 0.00 N ATOM 0 H ARG A 83 1.392 6.568 2.293 1.00 0.00 H new ATOM 0 HA ARG A 83 4.215 7.046 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.098 8.941 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.097 7.779 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.897 8.098 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.360 6.626 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.774 7.964 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.306 9.439 4.863 1.00 0.00 H new ATOM 0 HE ARG A 83 7.285 7.462 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.889 9.878 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.642 10.289 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.250 7.985 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.530 9.225 8.851 1.00 0.00 H new ATOM 1288 N GLU A 84 4.078 4.813 4.127 1.00 0.00 N ATOM 1289 CA GLU A 84 3.912 3.430 4.642 1.00 0.00 C ATOM 1290 C GLU A 84 4.561 3.301 6.007 1.00 0.00 C ATOM 1291 O GLU A 84 5.650 3.786 6.238 1.00 0.00 O ATOM 1292 CB GLU A 84 4.538 2.409 3.696 1.00 0.00 C ATOM 1293 CG GLU A 84 5.979 2.803 3.346 1.00 0.00 C ATOM 1294 CD GLU A 84 6.002 4.180 2.676 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.722 5.038 3.159 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.302 4.353 1.692 1.00 0.00 O ATOM 0 H GLU A 84 5.041 5.139 4.044 1.00 0.00 H new ATOM 0 HA GLU A 84 2.843 3.231 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.528 1.423 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.944 2.338 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.589 2.820 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.416 2.059 2.680 1.00 0.00 H new ATOM 1304 N LEU A 85 3.905 2.643 6.915 1.00 0.00 N ATOM 1305 CA LEU A 85 4.495 2.489 8.260 1.00 0.00 C ATOM 1306 C LEU A 85 5.317 1.203 8.278 1.00 0.00 C ATOM 1307 O LEU A 85 4.800 0.119 8.081 1.00 0.00 O ATOM 1308 CB LEU A 85 3.379 2.420 9.303 1.00 0.00 C ATOM 1309 CG LEU A 85 2.359 3.541 9.052 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.503 3.744 10.302 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.073 4.853 8.720 1.00 0.00 C ATOM 0 H LEU A 85 2.992 2.209 6.782 1.00 0.00 H new ATOM 0 HA LEU A 85 5.136 3.339 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.885 1.450 9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.799 2.516 10.304 1.00 0.00 H new ATOM 0 HG LEU A 85 1.730 3.254 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.780 4.540 10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.975 2.819 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.143 4.018 11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.334 5.635 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.714 5.139 9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.680 4.720 7.824 1.00 0.00 H new ATOM 1323 N ASN A 86 6.601 1.318 8.493 1.00 0.00 N ATOM 1324 CA ASN A 86 7.468 0.107 8.500 1.00 0.00 C ATOM 1325 C ASN A 86 8.034 -0.117 9.896 1.00 0.00 C ATOM 1326 O ASN A 86 8.663 0.750 10.469 1.00 0.00 O ATOM 1327 CB ASN A 86 8.627 0.318 7.528 1.00 0.00 C ATOM 1328 CG ASN A 86 8.100 0.950 6.240 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.832 0.846 5.941 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.848 1.562 5.506 1.00 0.00 N flip ATOM 0 H ASN A 86 7.085 2.199 8.664 1.00 0.00 H new ATOM 0 HA ASN A 86 6.877 -0.759 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.382 0.961 7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.110 -0.634 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.838 1.643 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.487 1.995 4.656 1.00 0.00 H new ATOM 1337 N TYR A 87 7.827 -1.279 10.444 1.00 0.00 N ATOM 1338 CA TYR A 87 8.364 -1.563 11.794 1.00 0.00 C ATOM 1339 C TYR A 87 8.291 -3.056 12.062 1.00 0.00 C ATOM 1340 O TYR A 87 7.490 -3.768 11.488 1.00 0.00 O ATOM 1341 CB TYR A 87 7.539 -0.823 12.842 1.00 0.00 C ATOM 1342 CG TYR A 87 6.065 -1.089 12.619 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.479 -2.254 13.133 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.283 -0.168 11.904 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.113 -2.496 12.938 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.917 -0.415 11.707 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.334 -1.578 12.225 1.00 0.00 C ATOM 1348 OH TYR A 87 1.987 -1.817 12.036 1.00 0.00 O ATOM 0 H TYR A 87 7.308 -2.043 10.012 1.00 0.00 H new ATOM 0 HA TYR A 87 9.400 -1.230 11.847 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.829 -1.147 13.841 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.737 0.247 12.784 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.081 -2.965 13.679 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.733 0.730 11.506 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.661 -3.392 13.338 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.314 0.292 11.156 1.00 0.00 H new ATOM 0 HH TYR A 87 1.593 -1.081 11.522 1.00 0.00 H new ATOM 1444 N PRO A 93 9.463 -7.181 10.178 1.00 0.00 N ATOM 1445 CA PRO A 93 9.180 -5.803 9.675 1.00 0.00 C ATOM 1446 C PRO A 93 8.106 -5.790 8.623 1.00 0.00 C ATOM 1447 O PRO A 93 8.175 -6.500 7.645 1.00 0.00 O ATOM 1448 CB PRO A 93 10.478 -5.382 9.033 1.00 0.00 C ATOM 1449 CG PRO A 93 11.072 -6.656 8.549 1.00 0.00 C ATOM 1450 CD PRO A 93 10.671 -7.726 9.553 1.00 0.00 C ATOM 0 HA PRO A 93 8.837 -5.155 10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.309 -4.684 8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.133 -4.883 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.705 -6.902 7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.157 -6.577 8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.473 -8.680 9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.457 -7.901 10.287 1.00 0.00 H new ATOM 1458 N LYS A 94 7.134 -4.976 8.804 1.00 0.00 N ATOM 1459 CA LYS A 94 6.044 -4.912 7.807 1.00 0.00 C ATOM 1460 C LYS A 94 5.920 -3.519 7.229 1.00 0.00 C ATOM 1461 O LYS A 94 5.744 -2.551 7.937 1.00 0.00 O ATOM 1462 CB LYS A 94 4.729 -5.261 8.490 1.00 0.00 C ATOM 1463 CG LYS A 94 4.810 -6.660 9.093 1.00 0.00 C ATOM 1464 CD LYS A 94 3.564 -6.913 9.935 1.00 0.00 C ATOM 1465 CE LYS A 94 2.351 -7.085 9.018 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.033 -8.536 8.886 1.00 0.00 N ATOM 0 H LYS A 94 7.038 -4.345 9.600 1.00 0.00 H new ATOM 0 HA LYS A 94 6.270 -5.614 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.510 -4.532 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.912 -5.213 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.888 -7.406 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.705 -6.753 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.700 -7.806 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.400 -6.081 10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.494 -6.549 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.558 -6.656 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.142 -8.650 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.800 -9.014 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.935 -8.957 9.832 1.00 0.00 H new ATOM 1480 N THR A 95 5.944 -3.419 5.933 1.00 0.00 N ATOM 1481 CA THR A 95 5.756 -2.099 5.311 1.00 0.00 C ATOM 1482 C THR A 95 4.262 -1.941 5.078 1.00 0.00 C ATOM 1483 O THR A 95 3.640 -2.760 4.432 1.00 0.00 O ATOM 1484 CB THR A 95 6.497 -2.028 3.974 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.897 -1.970 4.209 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.051 -0.777 3.211 1.00 0.00 C ATOM 0 H THR A 95 6.085 -4.195 5.286 1.00 0.00 H new ATOM 0 HA THR A 95 6.148 -1.308 5.951 1.00 0.00 H new ATOM 0 HB THR A 95 6.268 -2.915 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.371 -1.926 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.578 -0.725 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.977 -0.825 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.280 0.110 3.801 1.00 0.00 H new ATOM 1494 N VAL A 96 3.674 -0.921 5.617 1.00 0.00 N ATOM 1495 CA VAL A 96 2.215 -0.742 5.439 1.00 0.00 C ATOM 1496 C VAL A 96 1.967 0.580 4.721 1.00 0.00 C ATOM 1497 O VAL A 96 2.341 1.621 5.202 1.00 0.00 O ATOM 1498 CB VAL A 96 1.560 -0.728 6.826 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.056 -0.516 6.683 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.810 -2.075 7.516 1.00 0.00 C ATOM 0 H VAL A 96 4.139 -0.203 6.173 1.00 0.00 H new ATOM 0 HA VAL A 96 1.791 -1.552 4.846 1.00 0.00 H new ATOM 0 HB VAL A 96 1.988 0.081 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.406 -0.507 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.132 0.436 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.371 -1.325 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.346 -2.070 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.379 -2.877 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.883 -2.237 7.620 1.00 0.00 H new ATOM 1510 N ILE A 97 1.335 0.546 3.576 1.00 0.00 N ATOM 1511 CA ILE A 97 1.066 1.810 2.828 1.00 0.00 C ATOM 1512 C ILE A 97 -0.364 2.252 3.123 1.00 0.00 C ATOM 1513 O ILE A 97 -1.292 1.472 3.029 1.00 0.00 O ATOM 1514 CB ILE A 97 1.226 1.561 1.324 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.618 0.966 1.042 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.045 2.874 0.552 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.587 2.043 0.530 1.00 0.00 C ATOM 0 H ILE A 97 0.993 -0.304 3.127 1.00 0.00 H new ATOM 0 HA ILE A 97 1.769 2.584 3.137 1.00 0.00 H new ATOM 0 HB ILE A 97 0.464 0.855 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.016 0.517 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.533 0.168 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.160 2.687 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.050 3.275 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.796 3.594 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.562 1.594 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.198 2.473 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.689 2.827 1.280 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.556 3.485 3.502 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.938 3.939 3.825 1.00 0.00 C ATOM 1531 C TYR A 98 -2.401 5.043 2.874 1.00 0.00 C ATOM 1532 O TYR A 98 -1.712 6.019 2.644 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.971 4.481 5.254 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.960 3.344 6.252 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.025 2.433 6.295 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.899 3.217 7.154 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.026 1.399 7.240 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.897 2.178 8.093 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.959 1.272 8.139 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.962 0.259 9.079 1.00 0.00 O ATOM 0 H TYR A 98 0.174 4.190 3.601 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.606 3.084 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.111 5.130 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.863 5.090 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.845 2.529 5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.080 3.921 7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.849 0.700 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.072 2.077 8.783 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.148 0.314 9.622 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.594 4.904 2.357 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.172 5.946 1.462 1.00 0.00 C ATOM 1552 C TRP A 99 -5.384 6.537 2.184 1.00 0.00 C ATOM 1553 O TRP A 99 -6.125 5.818 2.826 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.635 5.325 0.138 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.484 5.190 -0.802 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.015 6.168 -1.610 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.664 4.023 -1.051 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.946 5.672 -2.336 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.691 4.348 -2.025 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.666 2.722 -0.523 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.755 3.408 -2.463 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.729 1.776 -0.959 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.772 2.119 -1.926 1.00 0.00 C ATOM 0 H TRP A 99 -4.200 4.100 2.521 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.423 6.707 1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.079 4.347 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.409 5.946 -0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.410 7.171 -1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.413 6.215 -3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.395 2.448 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.024 3.676 -3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.743 0.777 -0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.049 1.387 -2.255 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.607 7.816 2.107 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.789 8.381 2.818 1.00 0.00 C ATOM 1576 C LEU A 100 -8.044 8.062 2.006 1.00 0.00 C ATOM 1577 O LEU A 100 -8.063 8.200 0.800 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.636 9.894 2.963 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.157 10.261 2.906 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.979 11.729 3.285 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.370 9.385 3.881 1.00 0.00 C ATOM 0 H LEU A 100 -5.035 8.487 1.593 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.867 7.942 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.179 10.404 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.068 10.226 3.907 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.786 10.099 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.921 11.990 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.535 12.355 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.354 11.892 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.314 9.650 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.742 9.542 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.492 8.337 3.608 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.088 7.618 2.651 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.322 7.271 1.901 1.00 0.00 C ATOM 1595 C ALA A 101 -11.552 7.811 2.620 1.00 0.00 C ATOM 1596 O ALA A 101 -11.560 7.989 3.820 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.437 5.750 1.804 1.00 0.00 C ATOM 0 H ALA A 101 -9.137 7.482 3.661 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.266 7.714 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.341 5.488 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.567 5.352 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.485 5.324 2.806 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.597 8.068 1.886 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.843 8.585 2.509 1.00 0.00 C ATOM 1605 C GLU A 102 -15.001 7.670 2.134 1.00 0.00 C ATOM 1606 O GLU A 102 -15.308 7.509 0.972 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.127 9.991 1.978 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.395 10.540 2.635 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.726 11.910 2.045 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.729 12.479 2.444 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.970 12.368 1.201 1.00 0.00 O ATOM 0 H GLU A 102 -12.641 7.941 0.875 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.728 8.617 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.283 10.648 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.248 9.964 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.226 9.853 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.252 10.622 3.713 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.659 7.076 3.096 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.799 6.187 2.745 1.00 0.00 C ATOM 1621 C VAL A 103 -17.988 7.056 2.334 1.00 0.00 C ATOM 1622 O VAL A 103 -18.323 8.034 2.973 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.144 5.275 3.923 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.869 4.624 4.424 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.734 6.080 5.064 1.00 0.00 C ATOM 0 H VAL A 103 -15.459 7.167 4.092 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.530 5.541 1.909 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.866 4.530 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.100 3.970 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.420 4.038 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.169 5.395 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.973 5.414 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.011 6.826 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.642 6.579 4.726 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.589 6.726 1.228 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.721 7.536 0.700 1.00 0.00 C ATOM 1637 C LYS A 104 -20.858 7.629 1.705 1.00 0.00 C ATOM 1638 O LYS A 104 -21.435 8.680 1.900 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.242 6.858 -0.557 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.113 6.766 -1.576 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.554 5.871 -2.730 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.367 5.612 -3.659 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.277 6.714 -4.650 1.00 0.00 N ATOM 0 H LYS A 104 -18.341 5.917 0.658 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.362 8.545 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.617 5.862 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.077 7.423 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.859 7.759 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.216 6.361 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -19.940 4.927 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.365 6.346 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.444 5.549 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.490 4.657 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.471 6.544 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.155 6.753 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.142 7.618 -4.153 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.220 6.546 2.323 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.357 6.613 3.276 1.00 0.00 C ATOM 1659 C ASP A 105 -21.858 6.803 4.692 1.00 0.00 C ATOM 1660 O ASP A 105 -20.939 6.152 5.138 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.176 5.329 3.211 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.667 5.666 3.239 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.021 6.651 3.864 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.427 4.928 2.637 1.00 0.00 O ATOM 0 H ASP A 105 -20.786 5.629 2.213 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.979 7.463 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.935 4.778 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.924 4.683 4.052 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.494 7.680 5.407 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.112 7.919 6.822 1.00 0.00 C ATOM 1672 C TYR A 106 -22.434 6.651 7.612 1.00 0.00 C ATOM 1673 O TYR A 106 -21.698 6.239 8.482 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.914 9.097 7.372 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.403 9.452 8.740 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.232 10.201 8.870 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.096 9.031 9.881 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.751 10.532 10.141 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.618 9.362 11.153 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.444 10.112 11.284 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.966 10.437 12.538 1.00 0.00 O ATOM 0 H TYR A 106 -23.271 8.248 5.069 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.051 8.154 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.826 9.954 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.972 8.839 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.698 10.525 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.001 8.450 9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.845 11.111 10.241 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.154 9.039 12.033 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.565 10.070 13.222 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.530 6.021 7.287 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.916 4.762 7.981 1.00 0.00 C ATOM 1693 C ASP A 107 -23.497 3.581 7.102 1.00 0.00 C ATOM 1694 O ASP A 107 -24.013 2.485 7.216 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.432 4.742 8.195 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.814 5.832 9.200 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -24.915 6.391 9.806 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -26.997 6.090 9.343 1.00 0.00 O ATOM 0 H ASP A 107 -24.180 6.329 6.563 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.424 4.696 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.947 4.907 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.746 3.765 8.563 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.561 3.812 6.225 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.086 2.729 5.325 1.00 0.00 C ATOM 1706 C VAL A 108 -21.964 1.451 6.140 1.00 0.00 C ATOM 1707 O VAL A 108 -21.701 1.478 7.327 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.735 3.142 4.738 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.833 3.596 5.869 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.067 1.976 4.015 1.00 0.00 C ATOM 0 H VAL A 108 -22.102 4.713 6.093 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.783 2.558 4.505 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.899 3.946 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.865 3.894 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.289 4.444 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.695 2.777 6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.109 2.301 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.905 1.158 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.709 1.636 3.203 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.185 0.336 5.521 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.118 -0.936 6.261 1.00 0.00 C ATOM 1722 C GLU A 109 -20.695 -1.218 6.686 1.00 0.00 C ATOM 1723 O GLU A 109 -19.732 -0.873 6.025 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.635 -2.084 5.400 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.483 -3.017 5.042 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.959 -4.044 4.022 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -23.154 -4.098 3.779 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.121 -4.751 3.494 1.00 0.00 O ATOM 0 H GLU A 109 -22.410 0.253 4.530 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.746 -0.851 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.408 -2.634 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.094 -1.692 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.650 -2.444 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.117 -3.520 5.937 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.586 -1.854 7.794 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.264 -2.216 8.345 1.00 0.00 C ATOM 1738 C ILE A 110 -19.212 -3.729 8.544 1.00 0.00 C ATOM 1739 O ILE A 110 -19.909 -4.284 9.373 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.076 -1.493 9.679 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.947 0.015 9.433 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.825 -2.013 10.372 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.710 0.303 8.581 1.00 0.00 C ATOM 0 H ILE A 110 -21.378 -2.150 8.364 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.466 -1.921 7.664 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.940 -1.679 10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.840 0.387 8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.874 0.542 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.694 -1.496 11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.927 -3.083 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.957 -1.833 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.627 1.377 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.820 -0.053 9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.800 -0.209 7.623 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.388 -4.398 7.788 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.283 -5.873 7.925 1.00 0.00 C ATOM 1757 C ARG A 111 -17.004 -6.212 8.655 1.00 0.00 C ATOM 1758 O ARG A 111 -15.911 -6.055 8.147 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.276 -6.527 6.550 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.673 -6.406 5.955 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.672 -6.869 4.498 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.239 -8.288 4.432 1.00 0.00 N ATOM 1763 CZ ARG A 111 -18.835 -8.800 3.302 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -18.800 -8.066 2.226 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -18.468 -10.051 3.252 1.00 0.00 N ATOM 0 H ARG A 111 -17.782 -3.984 7.080 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.139 -6.245 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.545 -6.043 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.987 -7.575 6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.375 -7.006 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.013 -5.372 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.669 -6.761 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.002 -6.245 3.907 1.00 0.00 H new ATOM 0 HE ARG A 111 -19.258 -8.865 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.089 -7.089 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.484 -8.469 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -18.498 -10.625 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -18.152 -10.455 2.370 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.146 -6.672 9.850 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.957 -7.025 10.649 1.00 0.00 C ATOM 1781 C LEU A 112 -15.706 -8.530 10.564 1.00 0.00 C ATOM 1782 O LEU A 112 -16.612 -9.324 10.405 1.00 0.00 O ATOM 1783 CB LEU A 112 -16.187 -6.643 12.109 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.722 -5.214 12.212 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.549 -4.738 13.653 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.951 -4.292 11.258 1.00 0.00 C ATOM 0 H LEU A 112 -18.042 -6.821 10.314 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.094 -6.486 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.894 -7.336 12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.253 -6.729 12.665 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.776 -5.190 11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.925 -3.719 13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -17.106 -5.394 14.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.492 -4.761 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.340 -3.277 11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.893 -4.298 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -16.071 -4.646 10.234 1.00 0.00 H new ATOM 1798 N SER A 113 -14.474 -8.929 10.686 1.00 0.00 N ATOM 1799 CA SER A 113 -14.145 -10.382 10.636 1.00 0.00 C ATOM 1800 C SER A 113 -13.741 -10.832 12.040 1.00 0.00 C ATOM 1801 O SER A 113 -13.446 -10.022 12.892 1.00 0.00 O ATOM 1802 CB SER A 113 -12.993 -10.608 9.665 1.00 0.00 C ATOM 1803 OG SER A 113 -13.387 -10.171 8.369 1.00 0.00 O ATOM 0 H SER A 113 -13.675 -8.310 10.819 1.00 0.00 H new ATOM 0 HA SER A 113 -15.007 -10.956 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.110 -10.061 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.723 -11.664 9.640 1.00 0.00 H new ATOM 0 HG SER A 113 -12.650 -10.312 7.738 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.732 -12.110 12.298 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.352 -12.578 13.658 1.00 0.00 C ATOM 1811 C HIS A 114 -12.118 -11.804 14.125 1.00 0.00 C ATOM 1812 O HIS A 114 -11.924 -11.574 15.301 1.00 0.00 O ATOM 1813 CB HIS A 114 -13.033 -14.071 13.614 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.747 -14.565 15.003 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -11.608 -14.195 15.709 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -13.445 -15.405 15.830 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -11.656 -14.808 16.904 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -12.754 -15.559 17.025 1.00 0.00 N ATOM 0 H HIS A 114 -13.969 -12.845 11.631 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.177 -12.408 14.350 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.872 -14.620 13.187 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.173 -14.251 12.969 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -14.387 -15.875 15.590 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.902 -14.706 17.670 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.028 -16.127 17.827 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.283 -11.403 13.208 1.00 0.00 N ATOM 1828 CA GLU A 115 -10.062 -10.643 13.590 1.00 0.00 C ATOM 1829 C GLU A 115 -10.462 -9.289 14.188 1.00 0.00 C ATOM 1830 O GLU A 115 -9.759 -8.732 15.008 1.00 0.00 O ATOM 1831 CB GLU A 115 -9.193 -10.422 12.351 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.885 -9.741 12.759 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.085 -9.391 11.506 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.566 -9.676 10.421 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.002 -8.850 11.653 1.00 0.00 O ATOM 0 H GLU A 115 -11.394 -11.570 12.208 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.499 -11.210 14.332 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.983 -11.376 11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.725 -9.806 11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.095 -8.839 13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.304 -10.401 13.403 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.584 -8.747 13.781 1.00 0.00 N ATOM 1844 CA HIS A 116 -12.014 -7.427 14.325 1.00 0.00 C ATOM 1845 C HIS A 116 -13.194 -7.610 15.288 1.00 0.00 C ATOM 1846 O HIS A 116 -14.262 -8.042 14.909 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.427 -6.524 13.162 1.00 0.00 C ATOM 1848 CG HIS A 116 -11.232 -6.255 12.295 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.103 -5.600 12.771 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.974 -6.533 10.975 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -9.228 -5.505 11.754 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -9.710 -6.058 10.640 1.00 0.00 N ATOM 0 H HIS A 116 -12.217 -9.162 13.098 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.188 -6.972 14.872 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -13.214 -7.001 12.578 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.834 -5.587 13.541 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -9.963 -5.254 13.720 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.648 -7.042 10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.257 -5.039 11.830 1.00 0.00 H new ATOM 1861 N GLN A 117 -12.990 -7.289 16.534 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.071 -7.439 17.546 1.00 0.00 C ATOM 1863 C GLN A 117 -15.160 -6.389 17.344 1.00 0.00 C ATOM 1864 O GLN A 117 -16.327 -6.643 17.567 1.00 0.00 O ATOM 1865 CB GLN A 117 -13.466 -7.269 18.938 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.573 -7.243 19.991 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.950 -7.200 21.388 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.743 -7.256 21.535 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.728 -7.106 22.430 1.00 0.00 N ATOM 0 H GLN A 117 -12.110 -6.925 16.898 1.00 0.00 H new ATOM 0 HA GLN A 117 -14.520 -8.426 17.437 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.775 -8.086 19.145 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.889 -6.345 18.982 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.213 -6.373 19.840 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.205 -8.125 19.891 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.740 -7.059 22.309 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.325 -7.079 23.367 1.00 0.00 H new ATOM 1878 N ALA A 118 -14.794 -5.204 16.960 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.819 -4.145 16.791 1.00 0.00 C ATOM 1880 C ALA A 118 -15.174 -2.911 16.154 1.00 0.00 C ATOM 1881 O ALA A 118 -13.968 -2.805 16.092 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.369 -3.792 18.174 1.00 0.00 C ATOM 0 H ALA A 118 -13.835 -4.923 16.757 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.626 -4.491 16.145 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.126 -3.014 18.077 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.815 -4.678 18.625 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.558 -3.432 18.807 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.963 -1.983 15.686 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.377 -0.764 15.059 1.00 0.00 C ATOM 1890 C TYR A 119 -16.029 0.492 15.640 1.00 0.00 C ATOM 1891 O TYR A 119 -17.162 0.472 16.078 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.631 -0.790 13.555 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.076 -0.474 13.299 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -18.032 -1.488 13.352 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.458 0.835 13.012 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.378 -1.194 13.115 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.801 1.131 12.774 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.763 0.115 12.825 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.087 0.409 12.591 1.00 0.00 O ATOM 0 H TYR A 119 -16.982 -2.015 15.710 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.306 -0.749 15.261 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.992 -0.064 13.052 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.382 -1.770 13.148 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.732 -2.501 13.576 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.716 1.619 12.974 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.119 -1.979 13.156 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.098 2.145 12.550 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.182 1.367 12.406 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.323 1.591 15.629 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.901 2.860 16.160 1.00 0.00 C ATOM 1911 C ARG A 120 -15.550 4.022 15.229 1.00 0.00 C ATOM 1912 O ARG A 120 -14.549 4.007 14.540 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.333 3.169 17.551 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.837 2.145 18.572 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.375 2.545 19.978 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.691 1.439 20.930 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.400 1.554 22.200 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.794 2.621 22.642 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.696 0.590 23.027 1.00 0.00 N ATOM 0 H ARG A 120 -14.369 1.665 15.275 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.982 2.739 16.223 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.244 3.153 17.518 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.628 4.173 17.857 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.925 2.089 18.539 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.459 1.153 18.323 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.304 2.747 19.978 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.872 3.463 20.290 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.137 0.588 20.588 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.545 3.370 21.996 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.569 2.706 23.633 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.155 -0.254 22.683 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.469 0.680 24.017 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.354 5.045 15.240 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.066 6.236 14.399 1.00 0.00 C ATOM 1935 C TRP A 121 -15.686 7.384 15.333 1.00 0.00 C ATOM 1936 O TRP A 121 -16.520 7.919 16.038 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.312 6.606 13.590 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.417 5.686 12.416 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.172 4.565 12.356 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.746 5.796 11.131 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.000 3.975 11.113 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.132 4.703 10.320 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.845 6.735 10.597 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.642 4.551 9.019 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.350 6.585 9.292 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.746 5.496 8.506 1.00 0.00 C ATOM 0 H TRP A 121 -17.204 5.107 15.800 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.252 6.031 13.703 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.203 6.526 14.212 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.250 7.641 13.254 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.805 4.191 13.147 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.457 3.111 10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.532 7.578 11.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.952 3.711 8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.660 7.313 8.892 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.360 5.385 7.503 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.434 7.750 15.371 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.013 8.839 16.296 1.00 0.00 C ATOM 1959 C LEU A 122 -13.215 9.894 15.536 1.00 0.00 C ATOM 1960 O LEU A 122 -12.872 9.721 14.384 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.141 8.258 17.413 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.516 6.789 17.670 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.418 5.879 17.122 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.667 6.543 19.176 1.00 0.00 C ATOM 0 H LEU A 122 -13.689 7.345 14.805 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.903 9.299 16.725 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.089 8.329 17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.272 8.839 18.326 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.460 6.571 17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.684 4.838 17.304 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.310 6.044 16.050 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.475 6.105 17.620 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.933 5.500 19.349 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.725 6.766 19.677 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.451 7.188 19.573 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.914 10.986 16.185 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.135 12.069 15.522 1.00 0.00 C ATOM 1978 C GLY A 123 -10.645 11.721 15.556 1.00 0.00 C ATOM 1979 O GLY A 123 -10.255 10.666 16.018 1.00 0.00 O ATOM 0 H GLY A 123 -13.176 11.175 17.152 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.467 12.191 14.491 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.309 13.019 16.028 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.819 12.603 15.060 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.353 12.339 15.041 1.00 0.00 C ATOM 1985 C LEU A 124 -7.842 12.083 16.464 1.00 0.00 C ATOM 1986 O LEU A 124 -7.059 11.184 16.695 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.639 13.563 14.445 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.120 13.379 14.512 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.726 12.015 13.948 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.443 14.462 13.678 1.00 0.00 C ATOM 0 H LEU A 124 -10.100 13.500 14.665 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.149 11.456 14.435 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.949 13.705 13.410 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.927 14.462 14.990 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.805 13.447 15.553 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.644 11.898 14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.206 11.228 14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.047 11.944 12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.362 14.334 13.724 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.774 14.384 12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.709 15.443 14.071 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.271 12.868 17.420 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.793 12.680 18.828 1.00 0.00 C ATOM 2004 C GLU A 125 -8.098 11.273 19.331 1.00 0.00 C ATOM 2005 O GLU A 125 -7.224 10.575 19.799 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.487 13.682 19.746 1.00 0.00 C ATOM 2007 CG GLU A 125 -9.994 13.407 19.777 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.692 14.545 20.518 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -11.904 14.490 20.644 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -9.999 15.453 20.950 1.00 0.00 O ATOM 0 H GLU A 125 -8.933 13.633 17.288 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.714 12.836 18.837 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.075 13.611 20.753 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.301 14.698 19.396 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.383 13.325 18.762 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.193 12.457 20.273 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.326 10.851 19.250 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.671 9.486 19.732 1.00 0.00 C ATOM 2020 C GLU A 126 -9.061 8.472 18.790 1.00 0.00 C ATOM 2021 O GLU A 126 -8.384 7.551 19.194 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.180 9.310 19.720 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.748 9.494 21.126 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.050 10.653 21.853 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.611 11.735 21.870 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -9.980 10.434 22.397 1.00 0.00 O ATOM 0 H GLU A 126 -10.105 11.390 18.872 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.291 9.347 20.744 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.632 10.033 19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.434 8.319 19.345 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.819 9.689 21.067 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.622 8.574 21.696 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.274 8.648 17.528 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.681 7.700 16.573 1.00 0.00 C ATOM 2036 C ALA A 127 -7.200 7.614 16.924 1.00 0.00 C ATOM 2037 O ALA A 127 -6.557 6.602 16.742 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.896 8.224 15.153 1.00 0.00 C ATOM 0 H ALA A 127 -9.828 9.401 17.120 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.135 6.711 16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.459 7.527 14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.964 8.321 14.959 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.418 9.198 15.048 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.673 8.670 17.482 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.251 8.666 17.910 1.00 0.00 C ATOM 2046 C CYS A 128 -5.148 7.948 19.255 1.00 0.00 C ATOM 2047 O CYS A 128 -4.264 7.150 19.481 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.778 10.111 18.085 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.787 10.250 19.594 1.00 0.00 S ATOM 0 H CYS A 128 -7.173 9.541 17.660 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.637 8.162 17.164 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.188 10.418 17.221 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.636 10.781 18.139 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.386 11.478 19.738 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.049 8.246 20.150 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.017 7.608 21.495 1.00 0.00 C ATOM 2057 C GLN A 129 -6.100 6.090 21.354 1.00 0.00 C ATOM 2058 O GLN A 129 -5.299 5.359 21.902 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.186 8.159 22.328 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.456 7.316 22.169 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.365 6.095 23.081 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.300 5.763 23.560 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.442 5.409 23.347 1.00 0.00 N ATOM 0 H GLN A 129 -6.811 8.909 20.006 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.081 7.840 22.003 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.900 8.187 23.379 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.393 9.186 22.026 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.335 7.909 22.422 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.571 7.002 21.132 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.337 5.688 22.945 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.389 4.594 23.958 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.047 5.616 20.601 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.170 4.145 20.394 1.00 0.00 C ATOM 2074 C LEU A 130 -5.954 3.655 19.601 1.00 0.00 C ATOM 2075 O LEU A 130 -5.429 2.589 19.841 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.437 3.844 19.594 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.672 4.257 20.385 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.662 4.916 19.435 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.323 3.018 20.995 1.00 0.00 C ATOM 0 H LEU A 130 -7.744 6.182 20.117 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.220 3.642 21.360 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.410 4.377 18.644 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.484 2.780 19.362 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.388 4.949 21.178 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.552 5.217 19.988 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.202 5.794 18.982 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.942 4.209 18.654 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.207 3.313 21.561 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.614 2.331 20.200 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.614 2.525 21.660 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.504 4.433 18.651 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.321 4.015 17.839 1.00 0.00 C ATOM 2093 C ALA A 131 -3.044 4.256 18.648 1.00 0.00 C ATOM 2094 O ALA A 131 -2.158 4.989 18.251 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.281 4.827 16.553 1.00 0.00 C ATOM 0 H ALA A 131 -5.903 5.338 18.402 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.396 2.956 17.592 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.419 4.524 15.958 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.194 4.652 15.984 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.201 5.887 16.794 1.00 0.00 H new ATOM 2101 N GLN A 132 -2.961 3.632 19.787 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.771 3.792 20.674 1.00 0.00 C ATOM 2103 C GLN A 132 -0.496 3.874 19.838 1.00 0.00 C ATOM 2104 O GLN A 132 0.388 4.658 20.113 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.664 2.575 21.599 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.808 1.598 21.307 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.113 2.114 21.913 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -4.181 3.338 22.351 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -5.089 1.390 21.982 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.679 3.006 20.150 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.887 4.707 21.255 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.704 2.079 21.453 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.703 2.894 22.641 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.923 1.473 20.230 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.571 0.617 21.718 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.038 0.431 21.639 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.958 1.743 22.382 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.392 3.072 18.822 1.00 0.00 N ATOM 2119 CA PHE A 133 0.835 3.117 17.987 1.00 0.00 C ATOM 2120 C PHE A 133 1.041 4.547 17.484 1.00 0.00 C ATOM 2121 O PHE A 133 0.185 5.125 16.847 1.00 0.00 O ATOM 2122 CB PHE A 133 0.676 2.155 16.812 1.00 0.00 C ATOM 2123 CG PHE A 133 0.701 0.739 17.340 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.484 0.128 17.777 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.913 0.043 17.408 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.452 -1.179 18.277 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.944 -1.264 17.909 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.761 -1.875 18.342 1.00 0.00 C ATOM 0 H PHE A 133 -1.096 2.392 18.534 1.00 0.00 H new ATOM 0 HA PHE A 133 1.704 2.817 18.572 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.261 2.347 16.290 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.479 2.304 16.090 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.420 0.665 17.728 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.825 0.514 17.074 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.364 -1.651 18.613 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.880 -1.801 17.961 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.784 -2.884 18.726 1.00 0.00 H new ATOM 2138 N LYS A 134 2.169 5.125 17.792 1.00 0.00 N ATOM 2139 CA LYS A 134 2.435 6.529 17.366 1.00 0.00 C ATOM 2140 C LYS A 134 2.341 6.663 15.843 1.00 0.00 C ATOM 2141 O LYS A 134 1.848 7.647 15.329 1.00 0.00 O ATOM 2142 CB LYS A 134 3.839 6.941 17.818 1.00 0.00 C ATOM 2143 CG LYS A 134 4.118 8.376 17.365 1.00 0.00 C ATOM 2144 CD LYS A 134 5.536 8.783 17.774 1.00 0.00 C ATOM 2145 CE LYS A 134 5.791 10.226 17.340 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.159 10.641 17.763 1.00 0.00 N ATOM 0 H LYS A 134 2.921 4.684 18.322 1.00 0.00 H new ATOM 0 HA LYS A 134 1.686 7.176 17.823 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.920 6.868 18.903 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.582 6.264 17.397 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.005 8.454 16.284 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.392 9.056 17.811 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.657 8.689 18.853 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.265 8.118 17.312 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.692 10.314 16.258 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.046 10.887 17.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.331 11.623 17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.238 10.572 18.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 7.864 10.017 17.320 1.00 0.00 H new ATOM 2160 N GLU A 135 2.824 5.695 15.121 1.00 0.00 N ATOM 2161 CA GLU A 135 2.786 5.777 13.631 1.00 0.00 C ATOM 2162 C GLU A 135 1.364 6.062 13.186 1.00 0.00 C ATOM 2163 O GLU A 135 1.118 6.856 12.297 1.00 0.00 O ATOM 2164 CB GLU A 135 3.210 4.433 13.049 1.00 0.00 C ATOM 2165 CG GLU A 135 4.307 3.852 13.929 1.00 0.00 C ATOM 2166 CD GLU A 135 4.752 2.496 13.384 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.721 1.964 13.896 1.00 0.00 O ATOM 2168 OE2 GLU A 135 4.110 2.009 12.468 1.00 0.00 O ATOM 0 H GLU A 135 3.246 4.846 15.497 1.00 0.00 H new ATOM 0 HA GLU A 135 3.455 6.567 13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.359 3.753 13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.570 4.559 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.156 4.535 13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.944 3.741 14.951 1.00 0.00 H new ATOM 2176 N MET A 136 0.425 5.413 13.798 1.00 0.00 N ATOM 2177 CA MET A 136 -0.984 5.626 13.424 1.00 0.00 C ATOM 2178 C MET A 136 -1.409 7.008 13.895 1.00 0.00 C ATOM 2179 O MET A 136 -2.086 7.732 13.190 1.00 0.00 O ATOM 2180 CB MET A 136 -1.812 4.538 14.085 1.00 0.00 C ATOM 2181 CG MET A 136 -1.198 3.183 13.736 1.00 0.00 C ATOM 2182 SD MET A 136 -0.946 3.044 11.949 1.00 0.00 S ATOM 2183 CE MET A 136 -2.614 3.500 11.412 1.00 0.00 C ATOM 0 H MET A 136 0.578 4.739 14.548 1.00 0.00 H new ATOM 0 HA MET A 136 -1.126 5.574 12.345 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.830 4.679 15.166 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.845 4.586 13.741 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.246 3.064 14.254 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.851 2.381 14.081 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.818 3.053 10.439 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.342 3.137 12.138 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.688 4.585 11.335 1.00 0.00 H new ATOM 2193 N LYS A 137 -0.977 7.408 15.059 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.324 8.769 15.516 1.00 0.00 C ATOM 2195 C LYS A 137 -0.791 9.707 14.458 1.00 0.00 C ATOM 2196 O LYS A 137 -1.369 10.732 14.171 1.00 0.00 O ATOM 2197 CB LYS A 137 -0.641 9.091 16.849 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.589 8.818 18.020 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.222 7.500 18.714 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.323 7.793 19.913 1.00 0.00 C ATOM 2201 NZ LYS A 137 0.756 8.732 19.505 1.00 0.00 N ATOM 0 H LYS A 137 -0.408 6.856 15.700 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.400 8.863 15.661 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.261 8.489 16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.330 10.136 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.538 9.639 18.735 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.617 8.772 17.660 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.125 6.984 19.040 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.711 6.838 18.015 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.909 8.226 20.724 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.110 6.867 20.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 1.570 8.625 20.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 1.051 8.520 18.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 0.403 9.709 19.555 1.00 0.00 H new ATOM 2215 N ALA A 138 0.316 9.337 13.868 1.00 0.00 N ATOM 2216 CA ALA A 138 0.918 10.169 12.799 1.00 0.00 C ATOM 2217 C ALA A 138 0.160 9.932 11.496 1.00 0.00 C ATOM 2218 O ALA A 138 -0.244 10.858 10.817 1.00 0.00 O ATOM 2219 CB ALA A 138 2.373 9.780 12.604 1.00 0.00 C ATOM 0 H ALA A 138 0.830 8.484 14.088 1.00 0.00 H new ATOM 0 HA ALA A 138 0.858 11.220 13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.811 10.394 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.919 9.937 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.434 8.729 12.320 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.040 8.684 11.144 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.777 8.378 9.888 1.00 0.00 C ATOM 2227 C ALA A 139 -2.115 9.090 9.948 1.00 0.00 C ATOM 2228 O ALA A 139 -2.509 9.795 9.037 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.017 6.871 9.779 1.00 0.00 C ATOM 0 H ALA A 139 0.276 7.871 11.673 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.199 8.708 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.557 6.654 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.060 6.350 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.606 6.534 10.632 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.805 8.934 11.035 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.102 9.617 11.196 1.00 0.00 C ATOM 2237 C LEU A 140 -3.827 11.123 11.233 1.00 0.00 C ATOM 2238 O LEU A 140 -4.642 11.939 10.845 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.722 9.172 12.519 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.844 7.645 12.539 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.760 7.146 13.982 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.190 7.223 11.947 1.00 0.00 C ATOM 0 H LEU A 140 -2.520 8.356 11.825 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.784 9.378 10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.106 9.509 13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.704 9.627 12.644 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.034 7.216 11.948 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.847 6.060 13.997 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.803 7.440 14.413 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.570 7.583 14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.270 6.136 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -6.998 7.656 12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.262 7.576 10.918 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.670 11.485 11.721 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.295 12.927 11.826 1.00 0.00 C ATOM 2256 C GLN A 141 -1.919 13.500 10.457 1.00 0.00 C ATOM 2257 O GLN A 141 -2.428 14.527 10.050 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.094 13.039 12.760 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.552 13.544 14.126 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.712 15.065 14.078 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.107 15.631 12.973 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.474 15.745 15.055 1.00 0.00 N flip ATOM 0 H GLN A 141 -1.959 10.834 12.056 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.146 13.490 12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.610 12.068 12.864 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.355 13.720 12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.497 13.076 14.401 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.826 13.268 14.890 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.165 15.303 15.921 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.583 16.758 15.010 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.028 12.866 9.749 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.624 13.402 8.418 1.00 0.00 C ATOM 2273 C GLU A 142 -1.803 13.314 7.444 1.00 0.00 C ATOM 2274 O GLU A 142 -2.003 14.183 6.619 1.00 0.00 O ATOM 2275 CB GLU A 142 0.556 12.586 7.882 1.00 0.00 C ATOM 2276 CG GLU A 142 1.739 12.703 8.846 1.00 0.00 C ATOM 2277 CD GLU A 142 2.943 11.951 8.269 1.00 0.00 C ATOM 2278 OE1 GLU A 142 4.022 12.078 8.827 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.763 11.257 7.281 1.00 0.00 O ATOM 0 H GLU A 142 -0.563 12.003 10.032 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.327 14.446 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.267 11.541 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.842 12.946 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.992 13.752 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.471 12.291 9.819 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.592 12.277 7.534 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.752 12.154 6.610 1.00 0.00 C ATOM 2289 C GLY A 143 -4.679 13.350 6.809 1.00 0.00 C ATOM 2290 O GLY A 143 -5.074 14.005 5.866 1.00 0.00 O ATOM 0 H GLY A 143 -2.483 11.515 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.407 12.114 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.290 11.226 6.803 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.011 13.662 8.028 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.889 14.836 8.262 1.00 0.00 C ATOM 2296 C HIS A 144 -5.148 16.078 7.786 1.00 0.00 C ATOM 2297 O HIS A 144 -5.713 16.959 7.167 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.188 14.969 9.754 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.142 16.114 9.986 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.477 16.141 10.304 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.744 17.443 9.913 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.900 17.457 10.426 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.822 18.205 10.184 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.715 13.160 8.865 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.829 14.717 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.620 14.042 10.131 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.263 15.137 10.306 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -9.068 15.319 10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.752 17.800 9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.894 17.803 10.667 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.878 16.151 8.081 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.076 17.331 7.666 1.00 0.00 C ATOM 2314 C GLN A 145 -3.142 17.499 6.149 1.00 0.00 C ATOM 2315 O GLN A 145 -3.306 18.591 5.643 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.622 17.120 8.071 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.823 18.391 7.789 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.151 19.440 8.852 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -0.842 19.262 10.012 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.769 20.534 8.505 1.00 0.00 N ATOM 0 H GLN A 145 -3.361 15.438 8.595 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.477 18.221 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.562 16.868 9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.198 16.281 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.245 18.172 7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.064 18.774 6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -2.030 20.685 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.992 21.239 9.208 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.999 16.425 5.418 1.00 0.00 N ATOM 2330 CA PHE A 146 -3.036 16.522 3.932 1.00 0.00 C ATOM 2331 C PHE A 146 -4.445 16.862 3.438 1.00 0.00 C ATOM 2332 O PHE A 146 -4.636 17.778 2.666 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.612 15.187 3.330 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.655 15.298 1.830 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.852 15.057 1.156 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.505 15.645 1.118 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.908 15.159 -0.236 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.556 15.749 -0.278 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.760 15.506 -0.955 1.00 0.00 C ATOM 0 H PHE A 146 -2.858 15.485 5.788 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.355 17.315 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.607 14.926 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.276 14.392 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.739 14.791 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.579 15.833 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.836 14.970 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.669 16.016 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.800 15.587 -2.031 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.433 16.119 3.854 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.822 16.394 3.382 1.00 0.00 C ATOM 2351 C LEU A 147 -7.182 17.861 3.623 1.00 0.00 C ATOM 2352 O LEU A 147 -7.927 18.459 2.871 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.803 15.484 4.114 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.502 14.031 3.752 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.497 13.117 4.452 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.643 13.842 2.243 1.00 0.00 C ATOM 0 H LEU A 147 -5.340 15.334 4.499 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.880 16.194 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.718 15.629 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.827 15.736 3.838 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.487 13.787 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.282 12.080 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.414 13.247 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.509 13.368 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.428 12.805 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.660 14.089 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.941 14.497 1.727 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.654 18.453 4.653 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.953 19.891 4.917 1.00 0.00 C ATOM 2370 C CYS A 148 -6.141 20.743 3.946 1.00 0.00 C ATOM 2371 O CYS A 148 -6.384 21.919 3.782 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.565 20.249 6.352 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.658 19.379 7.499 1.00 0.00 S ATOM 0 H CYS A 148 -6.029 18.008 5.325 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.019 20.076 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.527 19.973 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.641 21.326 6.504 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.233 19.548 8.716 1.00 0.00 H new ATOM 2379 N SER A 149 -5.170 20.151 3.307 1.00 0.00 N ATOM 2380 CA SER A 149 -4.329 20.916 2.347 1.00 0.00 C ATOM 2381 C SER A 149 -4.984 20.917 0.963 1.00 0.00 C ATOM 2382 O SER A 149 -4.520 21.579 0.057 1.00 0.00 O ATOM 2383 CB SER A 149 -2.951 20.261 2.247 1.00 0.00 C ATOM 2384 OG SER A 149 -2.213 20.521 3.433 1.00 0.00 O ATOM 0 H SER A 149 -4.923 19.167 3.410 1.00 0.00 H new ATOM 0 HA SER A 149 -4.229 21.942 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.058 19.186 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.415 20.648 1.381 1.00 0.00 H new ATOM 0 HG SER A 149 -2.530 19.934 4.151 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.043 20.175 0.780 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.685 20.150 -0.562 1.00 0.00 C ATOM 2392 C ILE A 150 -7.672 21.310 -0.672 1.00 0.00 C ATOM 2393 O ILE A 150 -7.334 22.459 -0.458 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.424 18.815 -0.769 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.766 17.708 0.065 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.346 18.430 -2.247 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.610 16.432 -0.017 1.00 0.00 C ATOM 0 H ILE A 150 -6.485 19.593 1.492 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.918 20.250 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.462 18.930 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.758 17.513 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.672 18.028 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.867 17.485 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.814 19.208 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.302 18.322 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.141 15.647 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.609 16.631 0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.681 16.109 -1.056 1.00 0.00 H new