USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=21 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 : no HD1:sc= -4.52! C(o=-8.8!,f=-6.9!) USER MOD Set 1.2: A 148 CYS SG : rot 154:sc= -4.31! USER MOD Set 2.1: A 42 HIS : no HE2:sc= -0.674 K(o=-0.67,f=-1.4!) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 30:sc= 0.158 USER MOD Single : A 35 GLN : amide:sc= -0.666 K(o=-0.67,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -2.97 K(o=-3,f=-4.8!) USER MOD Single : A 59 THR OG1 : rot 90:sc= -3.16! USER MOD Single : A 64 THR OG1 : rot 65:sc= -5.52! USER MOD Single : A 65 GLN : amide:sc= -0.286 K(o=-0.29,f=-3.7!) USER MOD Single : A 74 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2!) 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 : amide:sc= -0.105 X(o=-0.11,f=0.092) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.0322 (180deg=-0.615) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 171:sc= -0.836 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.996 (180deg=-1.81!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -1:sc= -0.441 USER MOD Single : A 114 HIS : no HD1:sc= -0.787 K(o=-0.79,f=-2.6) USER MOD Single : A 116 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.8!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -2.81! USER MOD Single : A 129 GLN : amide:sc= -18.3! C(o=-18!,f=-16!) USER MOD Single : A 132 GLN : amide:sc= -5.82! C(o=-5.8!,f=-5!) USER MOD Single : A 134 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.149) USER MOD Single : A 136 MET CE :methyl -155:sc= -0.772 (180deg=-2.7) USER MOD Single : A 137 LYS NZ :NH3+ -166:sc= -5.11! (180deg=-5.57!) USER MOD Single : A 141 GLN : amide:sc= -5.3! K(o=-5.3!,f=-1.4) USER MOD Single : A 145 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.14) USER MOD Single : A 149 SER OG : rot 86:sc= 0.0105 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.528 -7.817 5.636 1.00 0.00 N ATOM 87 CA LEU A 8 6.264 -8.299 5.032 1.00 0.00 C ATOM 88 C LEU A 8 5.568 -7.152 4.293 1.00 0.00 C ATOM 89 O LEU A 8 5.504 -6.037 4.772 1.00 0.00 O ATOM 90 CB LEU A 8 5.353 -8.814 6.143 1.00 0.00 C ATOM 91 CG LEU A 8 6.198 -9.461 7.249 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.919 -8.381 8.049 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.287 -10.242 8.193 1.00 0.00 C ATOM 0 HA LEU A 8 6.479 -9.099 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.766 -7.993 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.647 -9.540 5.740 1.00 0.00 H new ATOM 0 HG LEU A 8 6.928 -10.130 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.517 -8.847 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.570 -7.811 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.186 -7.713 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.886 -10.702 8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.560 -9.564 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.764 -11.018 7.634 1.00 0.00 H new ATOM 105 N ARG A 9 5.030 -7.424 3.136 1.00 0.00 N ATOM 106 CA ARG A 9 4.321 -6.358 2.372 1.00 0.00 C ATOM 107 C ARG A 9 2.890 -6.251 2.905 1.00 0.00 C ATOM 108 O ARG A 9 2.230 -7.248 3.118 1.00 0.00 O ATOM 109 CB ARG A 9 4.290 -6.737 0.889 1.00 0.00 C ATOM 110 CG ARG A 9 3.988 -5.498 0.044 1.00 0.00 C ATOM 111 CD ARG A 9 3.930 -5.887 -1.437 1.00 0.00 C ATOM 112 NE ARG A 9 3.944 -4.654 -2.277 1.00 0.00 N ATOM 113 CZ ARG A 9 5.071 -4.199 -2.756 1.00 0.00 C ATOM 114 NH1 ARG A 9 6.194 -4.803 -2.477 1.00 0.00 N ATOM 115 NH2 ARG A 9 5.078 -3.130 -3.504 1.00 0.00 N ATOM 0 H ARG A 9 5.051 -8.339 2.686 1.00 0.00 H new ATOM 0 HA ARG A 9 4.834 -5.403 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.248 -7.165 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.532 -7.501 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.040 -5.058 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.757 -4.742 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.779 -6.522 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.028 -6.466 -1.637 1.00 0.00 H new ATOM 0 HE ARG A 9 3.072 -4.165 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.193 -5.633 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.072 -4.445 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.203 -2.649 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.958 -2.775 -3.878 1.00 0.00 H new ATOM 129 N ALA A 10 2.407 -5.064 3.139 1.00 0.00 N ATOM 130 CA ALA A 10 1.021 -4.925 3.672 1.00 0.00 C ATOM 131 C ALA A 10 0.373 -3.659 3.125 1.00 0.00 C ATOM 132 O ALA A 10 1.041 -2.707 2.766 1.00 0.00 O ATOM 133 CB ALA A 10 1.061 -4.837 5.199 1.00 0.00 C ATOM 0 H ALA A 10 2.907 -4.188 2.986 1.00 0.00 H new ATOM 0 HA ALA A 10 0.441 -5.795 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.046 -4.736 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.514 -5.742 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.651 -3.971 5.498 1.00 0.00 H new ATOM 139 N CYS A 11 -0.928 -3.630 3.072 1.00 0.00 N ATOM 140 CA CYS A 11 -1.618 -2.418 2.566 1.00 0.00 C ATOM 141 C CYS A 11 -2.941 -2.249 3.310 1.00 0.00 C ATOM 142 O CYS A 11 -3.786 -3.122 3.300 1.00 0.00 O ATOM 143 CB CYS A 11 -1.884 -2.573 1.070 1.00 0.00 C ATOM 144 SG CYS A 11 -0.510 -1.857 0.135 1.00 0.00 S ATOM 0 H CYS A 11 -1.541 -4.394 3.357 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.993 -1.540 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.999 -3.627 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.817 -2.077 0.803 1.00 0.00 H new ATOM 0 HG CYS A 11 0.585 -1.956 0.829 1.00 0.00 H new ATOM 150 N GLY A 12 -3.130 -1.126 3.941 1.00 0.00 N ATOM 151 CA GLY A 12 -4.400 -0.884 4.679 1.00 0.00 C ATOM 152 C GLY A 12 -5.023 0.413 4.169 1.00 0.00 C ATOM 153 O GLY A 12 -4.442 1.105 3.358 1.00 0.00 O ATOM 0 H GLY A 12 -2.456 -0.361 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.087 -1.717 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.208 -0.815 5.750 1.00 0.00 H new ATOM 157 N LEU A 13 -6.201 0.748 4.621 1.00 0.00 N ATOM 158 CA LEU A 13 -6.841 1.999 4.128 1.00 0.00 C ATOM 159 C LEU A 13 -7.175 2.940 5.283 1.00 0.00 C ATOM 160 O LEU A 13 -7.993 2.637 6.130 1.00 0.00 O ATOM 161 CB LEU A 13 -8.147 1.653 3.399 1.00 0.00 C ATOM 162 CG LEU A 13 -8.022 1.959 1.904 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.388 1.822 1.229 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.514 3.387 1.705 1.00 0.00 C ATOM 0 H LEU A 13 -6.742 0.216 5.303 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.139 2.492 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.382 0.598 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.971 2.224 3.826 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.319 1.253 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.292 2.041 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.757 0.805 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.090 2.523 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.428 3.597 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.214 4.089 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.537 3.495 2.176 1.00 0.00 H new ATOM 176 N ILE A 14 -6.600 4.114 5.291 1.00 0.00 N ATOM 177 CA ILE A 14 -6.959 5.086 6.356 1.00 0.00 C ATOM 178 C ILE A 14 -8.216 5.794 5.876 1.00 0.00 C ATOM 179 O ILE A 14 -8.177 6.726 5.100 1.00 0.00 O ATOM 180 CB ILE A 14 -5.822 6.079 6.588 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.669 5.342 7.267 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.305 7.217 7.490 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.465 6.271 7.401 1.00 0.00 C ATOM 0 H ILE A 14 -5.907 4.436 4.615 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.131 4.586 7.309 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.493 6.498 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.980 4.991 8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.397 4.461 6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.491 7.923 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.140 7.730 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.629 6.810 8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.647 5.739 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.148 6.600 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.740 7.138 8.001 1.00 0.00 H new ATOM 195 N ILE A 15 -9.330 5.297 6.301 1.00 0.00 N ATOM 196 CA ILE A 15 -10.633 5.842 5.859 1.00 0.00 C ATOM 197 C ILE A 15 -11.022 7.054 6.692 1.00 0.00 C ATOM 198 O ILE A 15 -10.883 7.063 7.896 1.00 0.00 O ATOM 199 CB ILE A 15 -11.643 4.719 6.044 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.238 3.565 5.128 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.057 5.184 5.707 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.949 2.281 5.549 1.00 0.00 C ATOM 0 H ILE A 15 -9.396 4.516 6.953 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.591 6.174 4.822 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.646 4.401 7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.489 3.806 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.158 3.421 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.755 4.359 5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.334 6.010 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.093 5.515 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.651 1.467 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.676 2.034 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.028 2.425 5.485 1.00 0.00 H new ATOM 214 N PHE A 16 -11.519 8.077 6.050 1.00 0.00 N ATOM 215 CA PHE A 16 -11.927 9.289 6.800 1.00 0.00 C ATOM 216 C PHE A 16 -13.268 9.798 6.276 1.00 0.00 C ATOM 217 O PHE A 16 -13.413 10.118 5.116 1.00 0.00 O ATOM 218 CB PHE A 16 -10.871 10.379 6.612 1.00 0.00 C ATOM 219 CG PHE A 16 -10.861 10.830 5.171 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.041 10.181 4.241 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.675 11.895 4.766 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.034 10.596 2.904 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.668 12.308 3.429 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.848 11.658 2.500 1.00 0.00 C ATOM 0 H PHE A 16 -11.658 8.121 5.041 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.022 9.040 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.085 11.224 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.888 10.000 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.414 9.360 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.307 12.397 5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.401 10.096 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.296 13.129 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.844 11.978 1.468 1.00 0.00 H new ATOM 234 N ARG A 17 -14.250 9.889 7.128 1.00 0.00 N ATOM 235 CA ARG A 17 -15.574 10.395 6.682 1.00 0.00 C ATOM 236 C ARG A 17 -15.557 11.923 6.733 1.00 0.00 C ATOM 237 O ARG A 17 -15.440 12.514 7.788 1.00 0.00 O ATOM 238 CB ARG A 17 -16.659 9.861 7.615 1.00 0.00 C ATOM 239 CG ARG A 17 -18.012 10.434 7.194 1.00 0.00 C ATOM 240 CD ARG A 17 -19.098 9.900 8.122 1.00 0.00 C ATOM 241 NE ARG A 17 -20.417 10.465 7.721 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.785 11.637 8.165 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.991 12.316 8.950 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.944 12.133 7.823 1.00 0.00 N ATOM 0 H ARG A 17 -14.191 9.634 8.114 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.781 10.062 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.684 8.772 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.438 10.139 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.987 11.523 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.231 10.158 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.128 8.811 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.874 10.169 9.154 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.032 9.938 7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.085 11.931 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.278 13.231 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.563 11.605 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.230 13.048 8.171 1.00 0.00 H new ATOM 258 N ARG A 18 -15.655 12.565 5.604 1.00 0.00 N ATOM 259 CA ARG A 18 -15.628 14.055 5.597 1.00 0.00 C ATOM 260 C ARG A 18 -17.049 14.615 5.643 1.00 0.00 C ATOM 261 O ARG A 18 -17.974 14.053 5.087 1.00 0.00 O ATOM 262 CB ARG A 18 -14.930 14.553 4.334 1.00 0.00 C ATOM 263 CG ARG A 18 -14.741 16.068 4.424 1.00 0.00 C ATOM 264 CD ARG A 18 -14.111 16.572 3.126 1.00 0.00 C ATOM 265 NE ARG A 18 -12.795 15.906 2.926 1.00 0.00 N ATOM 266 CZ ARG A 18 -12.011 16.289 1.957 1.00 0.00 C ATOM 267 NH1 ARG A 18 -12.390 17.246 1.150 1.00 0.00 N ATOM 268 NH2 ARG A 18 -10.852 15.716 1.790 1.00 0.00 N ATOM 0 H ARG A 18 -15.752 12.126 4.689 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.083 14.396 6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.964 14.061 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.522 14.301 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.701 16.557 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.104 16.318 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.770 16.362 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.982 17.653 3.167 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.506 15.150 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.298 17.692 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.777 17.546 0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.558 14.968 2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.239 16.016 1.032 1.00 0.00 H new ATOM 434 N ILE A 29 -13.722 15.661 10.667 1.00 0.00 N ATOM 435 CA ILE A 29 -13.371 14.412 9.941 1.00 0.00 C ATOM 436 C ILE A 29 -13.217 13.256 10.923 1.00 0.00 C ATOM 437 O ILE A 29 -12.602 13.380 11.963 1.00 0.00 O ATOM 438 CB ILE A 29 -12.068 14.629 9.168 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.337 15.604 8.022 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.568 13.302 8.601 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.096 16.458 7.765 1.00 0.00 C ATOM 0 HA ILE A 29 -14.169 14.163 9.242 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.308 15.034 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.604 15.054 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.185 16.243 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.640 13.467 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.388 12.602 9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.319 12.888 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.294 17.151 6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.849 17.021 8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.259 15.813 7.499 1.00 0.00 H new ATOM 453 N GLU A 30 -13.780 12.130 10.589 1.00 0.00 N ATOM 454 CA GLU A 30 -13.688 10.942 11.480 1.00 0.00 C ATOM 455 C GLU A 30 -13.041 9.803 10.697 1.00 0.00 C ATOM 456 O GLU A 30 -13.073 9.787 9.486 1.00 0.00 O ATOM 457 CB GLU A 30 -15.094 10.536 11.926 1.00 0.00 C ATOM 458 CG GLU A 30 -15.730 11.695 12.695 1.00 0.00 C ATOM 459 CD GLU A 30 -17.115 11.279 13.199 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.593 10.243 12.770 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.673 12.005 14.003 1.00 0.00 O ATOM 0 H GLU A 30 -14.305 11.981 9.728 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.089 11.171 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.704 10.280 11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.047 9.648 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.096 11.978 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.814 12.570 12.050 1.00 0.00 H new ATOM 469 N PHE A 31 -12.439 8.863 11.373 1.00 0.00 N ATOM 470 CA PHE A 31 -11.774 7.744 10.646 1.00 0.00 C ATOM 471 C PHE A 31 -12.418 6.405 11.024 1.00 0.00 C ATOM 472 O PHE A 31 -12.977 6.254 12.091 1.00 0.00 O ATOM 473 CB PHE A 31 -10.288 7.710 11.027 1.00 0.00 C ATOM 474 CG PHE A 31 -9.622 9.025 10.674 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.211 9.279 9.358 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.402 9.988 11.670 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.585 10.492 9.041 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.777 11.199 11.348 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.370 11.449 10.035 1.00 0.00 C ATOM 0 H PHE A 31 -12.379 8.821 12.390 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.886 7.902 9.573 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.184 7.518 12.095 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.791 6.892 10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.377 8.540 8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.715 9.795 12.686 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.269 10.687 8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.609 11.940 12.115 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.888 12.384 9.788 1.00 0.00 H new ATOM 489 N LEU A 32 -12.325 5.421 10.161 1.00 0.00 N ATOM 490 CA LEU A 32 -12.912 4.087 10.486 1.00 0.00 C ATOM 491 C LEU A 32 -11.883 3.286 11.279 1.00 0.00 C ATOM 492 O LEU A 32 -10.745 3.148 10.874 1.00 0.00 O ATOM 493 CB LEU A 32 -13.257 3.328 9.195 1.00 0.00 C ATOM 494 CG LEU A 32 -13.644 1.882 9.531 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.829 1.871 10.497 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.031 1.147 8.246 1.00 0.00 C ATOM 0 H LEU A 32 -11.870 5.486 9.250 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.824 4.223 11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.079 3.824 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.403 3.338 8.517 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.795 1.384 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.098 0.841 10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.555 2.392 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.680 2.372 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.306 0.119 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.878 1.651 7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.185 1.146 7.558 1.00 0.00 H new ATOM 508 N LEU A 33 -12.268 2.759 12.407 1.00 0.00 N ATOM 509 CA LEU A 33 -11.308 1.967 13.225 1.00 0.00 C ATOM 510 C LEU A 33 -11.925 0.614 13.573 1.00 0.00 C ATOM 511 O LEU A 33 -13.072 0.523 13.953 1.00 0.00 O ATOM 512 CB LEU A 33 -10.972 2.732 14.506 1.00 0.00 C ATOM 513 CG LEU A 33 -9.802 3.679 14.241 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.709 4.703 15.368 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.498 2.882 14.178 1.00 0.00 C ATOM 0 H LEU A 33 -13.206 2.842 12.798 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.393 1.806 12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.841 3.296 14.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.716 2.034 15.303 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.963 4.190 13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.874 5.378 15.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.635 5.276 15.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.551 4.188 16.316 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.666 3.560 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.339 2.368 15.126 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.558 2.149 13.374 1.00 0.00 H new ATOM 527 N LEU A 34 -11.168 -0.440 13.433 1.00 0.00 N ATOM 528 CA LEU A 34 -11.707 -1.794 13.738 1.00 0.00 C ATOM 529 C LEU A 34 -11.106 -2.317 15.046 1.00 0.00 C ATOM 530 O LEU A 34 -9.945 -2.106 15.337 1.00 0.00 O ATOM 531 CB LEU A 34 -11.335 -2.732 12.589 1.00 0.00 C ATOM 532 CG LEU A 34 -11.764 -2.092 11.266 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.423 -3.030 10.109 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.270 -1.847 11.288 1.00 0.00 C ATOM 0 H LEU A 34 -10.197 -0.421 13.120 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.790 -1.745 13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.261 -2.918 12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.825 -3.697 12.717 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.239 -1.146 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.729 -2.573 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.348 -3.211 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.948 -3.976 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.578 -1.391 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.791 -2.795 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.518 -1.179 12.113 1.00 0.00 H new ATOM 546 N GLN A 35 -11.885 -3.007 15.834 1.00 0.00 N ATOM 547 CA GLN A 35 -11.360 -3.553 17.119 1.00 0.00 C ATOM 548 C GLN A 35 -10.903 -4.991 16.908 1.00 0.00 C ATOM 549 O GLN A 35 -11.654 -5.825 16.445 1.00 0.00 O ATOM 550 CB GLN A 35 -12.464 -3.547 18.175 1.00 0.00 C ATOM 551 CG GLN A 35 -11.857 -3.880 19.541 1.00 0.00 C ATOM 552 CD GLN A 35 -12.956 -3.892 20.605 1.00 0.00 C ATOM 553 OE1 GLN A 35 -14.043 -3.397 20.380 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.719 -4.445 21.762 1.00 0.00 N ATOM 0 H GLN A 35 -12.865 -3.217 15.643 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.526 -2.935 17.451 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.948 -2.571 18.207 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.233 -4.275 17.918 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.363 -4.851 19.503 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.095 -3.145 19.800 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.807 -4.861 21.951 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.446 -4.462 22.478 1.00 0.00 H new ATOM 641 N HIS A 42 -5.920 -3.865 20.415 1.00 0.00 N ATOM 642 CA HIS A 42 -5.426 -2.563 19.891 1.00 0.00 C ATOM 643 C HIS A 42 -6.340 -2.088 18.763 1.00 0.00 C ATOM 644 O HIS A 42 -7.024 -2.872 18.135 1.00 0.00 O ATOM 645 CB HIS A 42 -4.011 -2.747 19.342 1.00 0.00 C ATOM 646 CG HIS A 42 -4.021 -3.835 18.302 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.195 -5.172 18.634 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.882 -3.801 16.937 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.154 -5.882 17.490 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.966 -5.093 16.431 1.00 0.00 N ATOM 0 HA HIS A 42 -5.421 -1.826 20.694 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.653 -1.814 18.906 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.326 -3.005 20.149 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.329 -5.548 19.573 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.731 -2.909 16.347 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.260 -6.955 17.437 1.00 0.00 H new ATOM 659 N TRP A 43 -6.358 -0.810 18.498 1.00 0.00 N ATOM 660 CA TRP A 43 -7.228 -0.294 17.408 1.00 0.00 C ATOM 661 C TRP A 43 -6.375 -0.040 16.164 1.00 0.00 C ATOM 662 O TRP A 43 -5.325 0.565 16.234 1.00 0.00 O ATOM 663 CB TRP A 43 -7.881 1.015 17.845 1.00 0.00 C ATOM 664 CG TRP A 43 -8.849 0.742 18.949 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.560 0.806 20.270 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.254 0.373 18.855 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.696 0.492 20.992 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.768 0.219 20.165 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.127 0.159 17.772 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.097 -0.138 20.392 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.466 -0.200 17.999 1.00 0.00 C ATOM 672 CH2 TRP A 43 -12.948 -0.346 19.307 1.00 0.00 C ATOM 0 H TRP A 43 -5.809 -0.104 18.989 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.003 -1.027 17.185 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.120 1.720 18.180 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.395 1.477 17.002 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.599 1.061 20.691 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.738 0.465 22.011 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.765 0.271 16.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.465 -0.253 21.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.128 -0.364 17.161 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -13.979 -0.620 19.475 1.00 0.00 H new ATOM 683 N THR A 44 -6.818 -0.497 15.030 1.00 0.00 N ATOM 684 CA THR A 44 -6.036 -0.280 13.785 1.00 0.00 C ATOM 685 C THR A 44 -6.980 -0.330 12.586 1.00 0.00 C ATOM 686 O THR A 44 -8.014 -0.968 12.632 1.00 0.00 O ATOM 687 CB THR A 44 -4.980 -1.378 13.648 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.401 -2.530 14.368 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.645 -0.884 14.208 1.00 0.00 C ATOM 0 H THR A 44 -7.690 -1.013 14.911 1.00 0.00 H new ATOM 0 HA THR A 44 -5.544 0.692 13.825 1.00 0.00 H new ATOM 0 HB THR A 44 -4.856 -1.631 12.595 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.726 -3.235 14.280 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.896 -1.669 14.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.322 -0.002 13.655 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.764 -0.628 15.261 1.00 0.00 H new ATOM 697 N PRO A 45 -6.626 0.329 11.518 1.00 0.00 N ATOM 698 CA PRO A 45 -7.456 0.351 10.284 1.00 0.00 C ATOM 699 C PRO A 45 -7.426 -1.003 9.571 1.00 0.00 C ATOM 700 O PRO A 45 -6.528 -1.796 9.775 1.00 0.00 O ATOM 701 CB PRO A 45 -6.808 1.436 9.421 1.00 0.00 C ATOM 702 CG PRO A 45 -5.395 1.529 9.893 1.00 0.00 C ATOM 703 CD PRO A 45 -5.397 1.122 11.368 1.00 0.00 C ATOM 0 HA PRO A 45 -8.507 0.551 10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.852 1.175 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.324 2.389 9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.748 0.872 9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.012 2.542 9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.512 0.538 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.402 1.994 12.022 1.00 0.00 H new ATOM 711 N PRO A 46 -8.400 -1.266 8.746 1.00 0.00 N ATOM 712 CA PRO A 46 -8.487 -2.554 8.001 1.00 0.00 C ATOM 713 C PRO A 46 -7.258 -2.783 7.122 1.00 0.00 C ATOM 714 O PRO A 46 -7.045 -2.088 6.148 1.00 0.00 O ATOM 715 CB PRO A 46 -9.748 -2.415 7.140 1.00 0.00 C ATOM 716 CG PRO A 46 -10.115 -0.964 7.163 1.00 0.00 C ATOM 717 CD PRO A 46 -9.518 -0.369 8.434 1.00 0.00 C ATOM 0 HA PRO A 46 -8.530 -3.408 8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.562 -2.753 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.558 -3.027 7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.727 -0.455 6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.198 -0.841 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.178 0.654 8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.247 -0.341 9.244 1.00 0.00 H new ATOM 725 N LYS A 47 -6.446 -3.746 7.459 1.00 0.00 N ATOM 726 CA LYS A 47 -5.231 -4.005 6.640 1.00 0.00 C ATOM 727 C LYS A 47 -4.985 -5.508 6.515 1.00 0.00 C ATOM 728 O LYS A 47 -5.522 -6.306 7.258 1.00 0.00 O ATOM 729 CB LYS A 47 -4.019 -3.328 7.288 1.00 0.00 C ATOM 730 CG LYS A 47 -3.729 -3.955 8.654 1.00 0.00 C ATOM 731 CD LYS A 47 -2.637 -3.139 9.352 1.00 0.00 C ATOM 732 CE LYS A 47 -2.145 -3.878 10.600 1.00 0.00 C ATOM 733 NZ LYS A 47 -1.720 -2.885 11.626 1.00 0.00 N ATOM 0 H LYS A 47 -6.571 -4.362 8.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.383 -3.594 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.148 -3.430 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.208 -2.261 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.634 -3.971 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.408 -4.990 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.805 -2.970 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.026 -2.159 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.938 -4.512 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.312 -4.533 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.385 -3.384 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.951 -2.298 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.526 -2.278 11.877 1.00 0.00 H new ATOM 747 N GLY A 48 -4.170 -5.896 5.574 1.00 0.00 N ATOM 748 CA GLY A 48 -3.877 -7.343 5.384 1.00 0.00 C ATOM 749 C GLY A 48 -2.575 -7.493 4.594 1.00 0.00 C ATOM 750 O GLY A 48 -1.857 -6.538 4.374 1.00 0.00 O ATOM 0 H GLY A 48 -3.692 -5.270 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.789 -7.839 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.697 -7.826 4.852 1.00 0.00 H new ATOM 754 N HIS A 49 -2.265 -8.685 4.163 1.00 0.00 N ATOM 755 CA HIS A 49 -1.013 -8.891 3.383 1.00 0.00 C ATOM 756 C HIS A 49 -1.358 -8.930 1.894 1.00 0.00 C ATOM 757 O HIS A 49 -2.187 -9.707 1.460 1.00 0.00 O ATOM 758 CB HIS A 49 -0.374 -10.221 3.803 1.00 0.00 C ATOM 759 CG HIS A 49 0.850 -10.482 2.967 1.00 0.00 C ATOM 760 ND1 HIS A 49 0.768 -10.941 1.659 1.00 0.00 N ATOM 761 CD2 HIS A 49 2.189 -10.350 3.235 1.00 0.00 C ATOM 762 CE1 HIS A 49 2.024 -11.064 1.193 1.00 0.00 C ATOM 763 NE2 HIS A 49 2.925 -10.717 2.114 1.00 0.00 N ATOM 0 H HIS A 49 -2.824 -9.524 4.317 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.312 -8.078 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.105 -10.189 4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.090 -11.034 3.681 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.089 -11.147 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.607 -10.013 4.172 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.272 -11.402 0.198 1.00 0.00 H new ATOM 772 N VAL A 50 -0.742 -8.092 1.104 1.00 0.00 N ATOM 773 CA VAL A 50 -1.057 -8.082 -0.353 1.00 0.00 C ATOM 774 C VAL A 50 -0.567 -9.376 -1.001 1.00 0.00 C ATOM 775 O VAL A 50 0.497 -9.878 -0.699 1.00 0.00 O ATOM 776 CB VAL A 50 -0.397 -6.873 -1.034 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.435 -6.087 -0.022 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.501 -7.343 -2.180 1.00 0.00 C ATOM 0 H VAL A 50 -0.038 -7.417 1.403 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.137 -8.007 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.180 -6.227 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.898 -5.233 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.209 -5.735 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.211 -6.732 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.964 -6.479 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.277 -8.001 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.098 -7.884 -2.913 1.00 0.00 H new ATOM 788 N GLU A 51 -1.342 -9.906 -1.902 1.00 0.00 N ATOM 789 CA GLU A 51 -0.955 -11.161 -2.602 1.00 0.00 C ATOM 790 C GLU A 51 0.285 -10.884 -3.469 1.00 0.00 C ATOM 791 O GLU A 51 0.852 -9.810 -3.418 1.00 0.00 O ATOM 792 CB GLU A 51 -2.133 -11.609 -3.477 1.00 0.00 C ATOM 793 CG GLU A 51 -2.614 -13.005 -3.062 1.00 0.00 C ATOM 794 CD GLU A 51 -3.302 -13.682 -4.253 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.875 -14.768 -4.620 1.00 0.00 O ATOM 796 OE2 GLU A 51 -4.241 -13.105 -4.777 1.00 0.00 O ATOM 0 H GLU A 51 -2.241 -9.517 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.716 -11.949 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.952 -10.895 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.832 -11.619 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.770 -13.607 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.306 -12.929 -2.223 1.00 0.00 H new ATOM 804 N PRO A 52 0.716 -11.841 -4.253 1.00 0.00 N ATOM 805 CA PRO A 52 1.911 -11.683 -5.129 1.00 0.00 C ATOM 806 C PRO A 52 1.613 -10.812 -6.354 1.00 0.00 C ATOM 807 O PRO A 52 2.022 -9.670 -6.437 1.00 0.00 O ATOM 808 CB PRO A 52 2.232 -13.114 -5.560 1.00 0.00 C ATOM 809 CG PRO A 52 0.939 -13.852 -5.479 1.00 0.00 C ATOM 810 CD PRO A 52 0.112 -13.175 -4.395 1.00 0.00 C ATOM 0 HA PRO A 52 2.733 -11.188 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.635 -13.138 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.981 -13.562 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.418 -13.825 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.108 -14.901 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.938 -13.107 -4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.153 -13.731 -3.459 1.00 0.00 H new ATOM 818 N GLY A 53 0.897 -11.346 -7.303 1.00 0.00 N ATOM 819 CA GLY A 53 0.561 -10.559 -8.525 1.00 0.00 C ATOM 820 C GLY A 53 -0.597 -9.613 -8.211 1.00 0.00 C ATOM 821 O GLY A 53 -1.320 -9.183 -9.088 1.00 0.00 O ATOM 0 H GLY A 53 0.528 -12.297 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.430 -9.991 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.288 -11.229 -9.340 1.00 0.00 H new ATOM 825 N GLU A 54 -0.783 -9.293 -6.961 1.00 0.00 N ATOM 826 CA GLU A 54 -1.896 -8.382 -6.570 1.00 0.00 C ATOM 827 C GLU A 54 -1.414 -6.934 -6.568 1.00 0.00 C ATOM 828 O GLU A 54 -0.248 -6.655 -6.381 1.00 0.00 O ATOM 829 CB GLU A 54 -2.376 -8.742 -5.169 1.00 0.00 C ATOM 830 CG GLU A 54 -3.607 -7.908 -4.816 1.00 0.00 C ATOM 831 CD GLU A 54 -4.003 -8.158 -3.361 1.00 0.00 C ATOM 832 OE1 GLU A 54 -5.040 -7.657 -2.959 1.00 0.00 O ATOM 833 OE2 GLU A 54 -3.261 -8.840 -2.676 1.00 0.00 O ATOM 0 H GLU A 54 -0.208 -9.626 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.710 -8.492 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.617 -9.804 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.582 -8.561 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.396 -6.849 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.434 -8.166 -5.477 1.00 0.00 H new ATOM 841 N ASP A 55 -2.308 -6.006 -6.767 1.00 0.00 N ATOM 842 CA ASP A 55 -1.905 -4.576 -6.767 1.00 0.00 C ATOM 843 C ASP A 55 -1.739 -4.084 -5.329 1.00 0.00 C ATOM 844 O ASP A 55 -2.154 -4.724 -4.382 1.00 0.00 O ATOM 845 CB ASP A 55 -2.968 -3.731 -7.454 1.00 0.00 C ATOM 846 CG ASP A 55 -2.416 -2.325 -7.695 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.284 -2.085 -7.317 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.133 -1.516 -8.256 1.00 0.00 O ATOM 0 H ASP A 55 -3.300 -6.178 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.961 -4.482 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.257 -4.188 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.865 -3.681 -6.837 1.00 0.00 H new ATOM 854 N ASP A 56 -1.128 -2.948 -5.172 1.00 0.00 N ATOM 855 CA ASP A 56 -0.911 -2.386 -3.812 1.00 0.00 C ATOM 856 C ASP A 56 -2.209 -1.785 -3.262 1.00 0.00 C ATOM 857 O ASP A 56 -2.741 -2.241 -2.270 1.00 0.00 O ATOM 858 CB ASP A 56 0.156 -1.296 -3.897 1.00 0.00 C ATOM 859 CG ASP A 56 1.483 -1.916 -4.336 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.594 -3.130 -4.288 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.367 -1.166 -4.717 1.00 0.00 O ATOM 0 H ASP A 56 -0.765 -2.377 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.588 -3.183 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.150 -0.527 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.272 -0.809 -2.929 1.00 0.00 H new ATOM 867 N LEU A 57 -2.713 -0.753 -3.888 1.00 0.00 N ATOM 868 CA LEU A 57 -3.962 -0.108 -3.387 1.00 0.00 C ATOM 869 C LEU A 57 -5.107 -1.116 -3.389 1.00 0.00 C ATOM 870 O LEU A 57 -5.885 -1.183 -2.460 1.00 0.00 O ATOM 871 CB LEU A 57 -4.320 1.078 -4.290 1.00 0.00 C ATOM 872 CG LEU A 57 -5.612 1.738 -3.801 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.469 2.139 -2.332 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.890 2.990 -4.634 1.00 0.00 C ATOM 0 H LEU A 57 -2.313 -0.329 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.800 0.243 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.508 1.805 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.442 0.739 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.435 1.031 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.392 2.608 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.269 1.252 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.644 2.843 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.810 3.461 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.061 3.690 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.998 2.713 -5.683 1.00 0.00 H new ATOM 886 N GLU A 58 -5.212 -1.908 -4.419 1.00 0.00 N ATOM 887 CA GLU A 58 -6.306 -2.913 -4.473 1.00 0.00 C ATOM 888 C GLU A 58 -6.270 -3.744 -3.197 1.00 0.00 C ATOM 889 O GLU A 58 -7.290 -4.021 -2.597 1.00 0.00 O ATOM 890 CB GLU A 58 -6.090 -3.834 -5.673 1.00 0.00 C ATOM 891 CG GLU A 58 -6.363 -3.072 -6.978 1.00 0.00 C ATOM 892 CD GLU A 58 -5.467 -1.830 -7.080 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.794 -0.955 -7.867 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.478 -1.765 -6.371 1.00 0.00 O ATOM 0 H GLU A 58 -4.587 -1.902 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.268 -2.409 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.068 -4.213 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.751 -4.698 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.184 -3.726 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.411 -2.775 -7.019 1.00 0.00 H new ATOM 902 N THR A 59 -5.101 -4.128 -2.759 1.00 0.00 N ATOM 903 CA THR A 59 -5.022 -4.919 -1.509 1.00 0.00 C ATOM 904 C THR A 59 -5.722 -4.130 -0.409 1.00 0.00 C ATOM 905 O THR A 59 -6.489 -4.668 0.363 1.00 0.00 O ATOM 906 CB THR A 59 -3.560 -5.155 -1.145 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.952 -5.916 -2.180 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.481 -5.913 0.185 1.00 0.00 C ATOM 0 H THR A 59 -4.209 -3.928 -3.211 1.00 0.00 H new ATOM 0 HA THR A 59 -5.504 -5.888 -1.635 1.00 0.00 H new ATOM 0 HB THR A 59 -3.039 -4.204 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.574 -5.311 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.436 -6.082 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.960 -5.325 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.991 -6.872 0.088 1.00 0.00 H new ATOM 916 N ALA A 60 -5.490 -2.847 -0.353 1.00 0.00 N ATOM 917 CA ALA A 60 -6.177 -2.025 0.674 1.00 0.00 C ATOM 918 C ALA A 60 -7.662 -1.995 0.334 1.00 0.00 C ATOM 919 O ALA A 60 -8.510 -2.199 1.178 1.00 0.00 O ATOM 920 CB ALA A 60 -5.616 -0.601 0.661 1.00 0.00 C ATOM 0 H ALA A 60 -4.858 -2.338 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.021 -2.450 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.124 -0.003 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.548 -0.629 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.775 -0.156 -0.321 1.00 0.00 H new ATOM 926 N LEU A 61 -7.982 -1.761 -0.910 1.00 0.00 N ATOM 927 CA LEU A 61 -9.411 -1.737 -1.321 1.00 0.00 C ATOM 928 C LEU A 61 -10.044 -3.078 -0.981 1.00 0.00 C ATOM 929 O LEU A 61 -11.062 -3.152 -0.322 1.00 0.00 O ATOM 930 CB LEU A 61 -9.479 -1.551 -2.830 1.00 0.00 C ATOM 931 CG LEU A 61 -8.796 -0.249 -3.219 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.807 -0.123 -4.740 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.550 0.927 -2.596 1.00 0.00 C ATOM 0 H LEU A 61 -7.313 -1.585 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.932 -0.929 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.996 -2.390 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.518 -1.539 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.768 -0.244 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.320 0.807 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.273 -0.966 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.837 -0.121 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.061 1.861 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.578 0.933 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.549 0.826 -1.511 1.00 0.00 H new ATOM 945 N ARG A 62 -9.435 -4.139 -1.427 1.00 0.00 N ATOM 946 CA ARG A 62 -9.979 -5.489 -1.138 1.00 0.00 C ATOM 947 C ARG A 62 -9.963 -5.727 0.370 1.00 0.00 C ATOM 948 O ARG A 62 -10.896 -6.259 0.933 1.00 0.00 O ATOM 949 CB ARG A 62 -9.118 -6.541 -1.834 1.00 0.00 C ATOM 950 CG ARG A 62 -9.783 -7.909 -1.695 1.00 0.00 C ATOM 951 CD ARG A 62 -8.916 -8.968 -2.371 1.00 0.00 C ATOM 952 NE ARG A 62 -9.648 -10.263 -2.391 1.00 0.00 N ATOM 953 CZ ARG A 62 -9.296 -11.196 -3.233 1.00 0.00 C ATOM 954 NH1 ARG A 62 -8.300 -10.990 -4.055 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.938 -12.330 -3.256 1.00 0.00 N ATOM 0 H ARG A 62 -8.579 -4.127 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.003 -5.560 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.995 -6.289 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.121 -6.562 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.919 -8.154 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.774 -7.891 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.671 -8.660 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.973 -9.078 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.424 -10.421 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.800 -10.101 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.023 -11.718 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.716 -12.489 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.662 -13.059 -3.914 1.00 0.00 H new ATOM 969 N ALA A 63 -8.908 -5.339 1.032 1.00 0.00 N ATOM 970 CA ALA A 63 -8.845 -5.547 2.503 1.00 0.00 C ATOM 971 C ALA A 63 -9.835 -4.609 3.189 1.00 0.00 C ATOM 972 O ALA A 63 -10.402 -4.927 4.216 1.00 0.00 O ATOM 973 CB ALA A 63 -7.431 -5.258 3.011 1.00 0.00 C ATOM 0 H ALA A 63 -8.091 -4.889 0.619 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.101 -6.582 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.393 -5.413 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.725 -5.930 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.166 -4.225 2.783 1.00 0.00 H new ATOM 979 N THR A 64 -10.048 -3.450 2.627 1.00 0.00 N ATOM 980 CA THR A 64 -11.002 -2.485 3.241 1.00 0.00 C ATOM 981 C THR A 64 -12.402 -3.100 3.290 1.00 0.00 C ATOM 982 O THR A 64 -13.084 -3.035 4.291 1.00 0.00 O ATOM 983 CB THR A 64 -11.036 -1.208 2.399 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.717 -0.711 2.253 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.900 -0.155 3.087 1.00 0.00 C ATOM 0 H THR A 64 -9.601 -3.130 1.768 1.00 0.00 H new ATOM 0 HA THR A 64 -10.679 -2.250 4.255 1.00 0.00 H new ATOM 0 HB THR A 64 -11.458 -1.433 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.183 -1.348 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.920 0.751 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.915 -0.536 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.484 0.073 4.068 1.00 0.00 H new ATOM 993 N GLN A 65 -12.839 -3.695 2.216 1.00 0.00 N ATOM 994 CA GLN A 65 -14.196 -4.309 2.208 1.00 0.00 C ATOM 995 C GLN A 65 -14.162 -5.663 2.922 1.00 0.00 C ATOM 996 O GLN A 65 -15.076 -6.020 3.639 1.00 0.00 O ATOM 997 CB GLN A 65 -14.676 -4.470 0.761 1.00 0.00 C ATOM 998 CG GLN A 65 -15.359 -5.827 0.584 1.00 0.00 C ATOM 999 CD GLN A 65 -16.021 -5.889 -0.792 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.294 -4.871 -1.394 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.289 -7.051 -1.321 1.00 0.00 N ATOM 0 H GLN A 65 -12.316 -3.783 1.344 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.893 -3.660 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.370 -3.669 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.831 -4.387 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.628 -6.630 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.105 -5.975 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.060 -7.907 -0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.728 -7.104 -2.240 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.120 -6.424 2.737 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.043 -7.752 3.414 1.00 0.00 C ATOM 1012 C GLU A 66 -12.983 -7.562 4.930 1.00 0.00 C ATOM 1013 O GLU A 66 -13.561 -8.322 5.684 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.785 -8.491 2.953 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.934 -8.911 1.492 1.00 0.00 C ATOM 1016 CD GLU A 66 -13.069 -9.928 1.368 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.548 -10.119 0.262 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.441 -10.498 2.379 1.00 0.00 O ATOM 0 H GLU A 66 -12.321 -6.187 2.149 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.928 -8.333 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.912 -7.848 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.619 -9.369 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.143 -8.040 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.002 -9.344 1.130 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.281 -6.561 5.383 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.175 -6.331 6.851 1.00 0.00 C ATOM 1028 C GLU A 67 -13.104 -5.193 7.277 1.00 0.00 C ATOM 1029 O GLU A 67 -13.147 -4.823 8.431 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.732 -5.961 7.202 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.800 -7.101 6.799 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.374 -6.776 7.250 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.147 -5.656 7.674 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.531 -7.655 7.167 1.00 0.00 O ATOM 0 H GLU A 67 -11.776 -5.893 4.801 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.465 -7.242 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.445 -5.044 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.645 -5.767 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.133 -8.035 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.828 -7.244 5.719 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.841 -4.628 6.359 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.749 -3.509 6.737 1.00 0.00 C ATOM 1044 C ALA A 68 -16.020 -3.558 5.890 1.00 0.00 C ATOM 1045 O ALA A 68 -17.042 -3.023 6.261 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.040 -2.175 6.501 1.00 0.00 C ATOM 0 H ALA A 68 -13.854 -4.890 5.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.013 -3.607 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.704 -1.356 6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.136 -2.131 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.773 -2.086 5.448 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.968 -4.180 4.749 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.183 -4.242 3.888 1.00 0.00 C ATOM 1054 C GLY A 69 -17.233 -2.997 3.014 1.00 0.00 C ATOM 1055 O GLY A 69 -18.090 -2.856 2.162 1.00 0.00 O ATOM 0 H GLY A 69 -15.142 -4.647 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.159 -5.138 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.079 -4.305 4.505 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.318 -2.092 3.213 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.319 -0.862 2.386 1.00 0.00 C ATOM 1061 C ILE A 70 -15.229 -0.984 1.313 1.00 0.00 C ATOM 1062 O ILE A 70 -14.073 -1.197 1.612 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.037 0.355 3.267 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.888 0.301 4.541 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.422 1.603 2.482 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.273 1.199 5.622 1.00 0.00 C ATOM 0 H ILE A 70 -15.575 -2.152 3.909 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.293 -0.739 1.913 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.983 0.368 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.905 0.626 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.952 -0.725 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.230 2.488 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.830 1.655 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.481 1.560 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.884 1.154 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.264 0.855 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.233 2.227 5.262 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.596 -0.855 0.068 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.589 -0.963 -1.029 1.00 0.00 C ATOM 1080 C GLU A 71 -14.434 0.388 -1.722 1.00 0.00 C ATOM 1081 O GLU A 71 -15.177 1.315 -1.472 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.027 -2.038 -2.033 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.335 -1.833 -3.385 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.739 -2.958 -4.339 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.551 -3.780 -3.943 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -14.229 -2.982 -5.448 1.00 0.00 O ATOM 0 H GLU A 71 -16.552 -0.679 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.625 -1.252 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.786 -3.027 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.109 -2.001 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.614 -0.867 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.253 -1.823 -3.254 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.461 0.510 -2.583 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.242 1.808 -3.281 1.00 0.00 C ATOM 1096 C ALA A 72 -14.561 2.303 -3.857 1.00 0.00 C ATOM 1097 O ALA A 72 -14.842 3.486 -3.861 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.216 1.624 -4.396 1.00 0.00 C ATOM 0 H ALA A 72 -12.808 -0.233 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.864 2.545 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.057 2.575 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.274 1.279 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.583 0.887 -5.110 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.388 1.419 -4.323 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.695 1.864 -4.862 1.00 0.00 C ATOM 1106 C GLY A 73 -17.494 2.486 -3.717 1.00 0.00 C ATOM 1107 O GLY A 73 -18.379 3.291 -3.927 1.00 0.00 O ATOM 0 H GLY A 73 -15.218 0.414 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.550 2.589 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.237 1.021 -5.290 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.189 2.110 -2.497 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.937 2.673 -1.336 1.00 0.00 C ATOM 1113 C GLN A 74 -17.149 3.811 -0.672 1.00 0.00 C ATOM 1114 O GLN A 74 -17.670 4.504 0.177 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.210 1.574 -0.312 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.100 0.493 -0.934 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.515 -0.509 0.146 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.457 -0.275 0.876 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -18.843 -1.617 0.284 1.00 0.00 N ATOM 0 H GLN A 74 -16.457 1.440 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.881 3.075 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.270 1.135 0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.696 1.996 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.983 0.948 -1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.564 -0.019 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.052 -1.813 -0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.108 -2.288 1.005 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.915 4.037 -1.055 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.154 5.172 -0.444 1.00 0.00 C ATOM 1130 C LEU A 75 -14.529 6.004 -1.552 1.00 0.00 C ATOM 1131 O LEU A 75 -14.789 5.806 -2.722 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.028 4.720 0.509 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.905 3.199 0.567 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.660 2.773 -0.201 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.752 2.753 2.021 1.00 0.00 C ATOM 0 H LEU A 75 -15.408 3.494 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.871 5.743 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.081 5.148 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.223 5.107 1.509 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.796 2.747 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.564 1.688 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.744 3.096 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.780 3.230 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.664 1.667 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.857 3.205 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.625 3.068 2.592 1.00 0.00 H new ATOM 1147 N THR A 76 -13.699 6.927 -1.182 1.00 0.00 N ATOM 1148 CA THR A 76 -13.025 7.785 -2.185 1.00 0.00 C ATOM 1149 C THR A 76 -11.548 7.864 -1.817 1.00 0.00 C ATOM 1150 O THR A 76 -11.177 8.520 -0.865 1.00 0.00 O ATOM 1151 CB THR A 76 -13.644 9.184 -2.144 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.997 9.115 -2.572 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.864 10.131 -3.052 1.00 0.00 C ATOM 0 H THR A 76 -13.454 7.128 -0.212 1.00 0.00 H new ATOM 0 HA THR A 76 -13.142 7.374 -3.188 1.00 0.00 H new ATOM 0 HB THR A 76 -13.603 9.563 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.395 10.010 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.313 11.123 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.829 10.189 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.892 9.758 -4.076 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.698 7.194 -2.544 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.254 7.238 -2.194 1.00 0.00 C ATOM 1163 C ILE A 77 -8.705 8.606 -2.579 1.00 0.00 C ATOM 1164 O ILE A 77 -8.887 9.073 -3.685 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.491 6.144 -2.950 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.317 4.851 -2.972 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.155 5.878 -2.248 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.387 4.251 -1.566 1.00 0.00 C ATOM 0 H ILE A 77 -10.938 6.625 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.130 7.069 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.312 6.475 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.322 5.058 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.868 4.135 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.611 5.100 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.562 6.793 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.340 5.552 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.975 3.334 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.380 4.027 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.856 4.965 -0.889 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.048 9.264 -1.672 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.507 10.606 -1.989 1.00 0.00 C ATOM 1182 C ILE A 78 -6.120 10.476 -2.607 1.00 0.00 C ATOM 1183 O ILE A 78 -5.311 9.663 -2.206 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.456 11.453 -0.718 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.412 12.639 -0.880 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.036 11.971 -0.482 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.829 12.123 -1.141 1.00 0.00 C ATOM 0 H ILE A 78 -7.863 8.930 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.159 11.099 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.751 10.844 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.398 13.256 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.086 13.272 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.015 12.573 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.354 11.127 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.726 12.582 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.508 12.968 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.836 11.525 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.153 11.509 -0.301 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.853 11.269 -3.600 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.537 11.205 -4.285 1.00 0.00 C ATOM 1201 C GLU A 79 -3.644 12.352 -3.812 1.00 0.00 C ATOM 1202 O GLU A 79 -4.113 13.396 -3.405 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.755 11.308 -5.791 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.624 10.138 -6.256 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.835 10.229 -7.766 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.480 11.247 -8.334 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.354 9.279 -8.330 1.00 0.00 O ATOM 0 H GLU A 79 -6.497 11.967 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.049 10.260 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.237 12.254 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.797 11.294 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.146 9.192 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.585 10.158 -5.742 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.358 12.151 -3.855 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.415 13.210 -3.406 1.00 0.00 C ATOM 1217 C GLY A 80 -0.841 12.817 -2.047 1.00 0.00 C ATOM 1218 O GLY A 80 0.215 13.271 -1.654 1.00 0.00 O ATOM 0 H GLY A 80 -1.917 11.292 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.612 13.333 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.930 14.168 -3.335 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.528 11.969 -1.329 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.019 11.536 0.003 1.00 0.00 C ATOM 1224 C PHE A 81 -0.595 10.070 -0.049 1.00 0.00 C ATOM 1225 O PHE A 81 -1.355 9.212 -0.447 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.117 11.685 1.059 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.617 11.111 2.363 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.690 9.729 2.588 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.078 11.951 3.342 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.226 9.191 3.794 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.615 11.412 4.545 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.688 10.032 4.773 1.00 0.00 C ATOM 0 H PHE A 81 -2.419 11.558 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.165 12.161 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.380 12.735 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.021 11.166 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.104 9.080 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.020 13.015 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.284 8.127 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.200 12.061 5.301 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.329 9.618 5.704 1.00 0.00 H new ATOM 1242 N LYS A 82 0.596 9.772 0.384 1.00 0.00 N ATOM 1243 CA LYS A 82 1.040 8.355 0.394 1.00 0.00 C ATOM 1244 C LYS A 82 2.166 8.177 1.404 1.00 0.00 C ATOM 1245 O LYS A 82 3.119 8.930 1.433 1.00 0.00 O ATOM 1246 CB LYS A 82 1.544 7.920 -0.978 1.00 0.00 C ATOM 1247 CG LYS A 82 1.202 6.440 -1.166 1.00 0.00 C ATOM 1248 CD LYS A 82 1.778 5.931 -2.485 1.00 0.00 C ATOM 1249 CE LYS A 82 3.290 5.766 -2.358 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.974 6.664 -3.328 1.00 0.00 N ATOM 0 H LYS A 82 1.278 10.446 0.730 1.00 0.00 H new ATOM 0 HA LYS A 82 0.182 7.740 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.080 8.520 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.620 8.074 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.603 5.858 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.120 6.305 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.320 4.978 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.545 6.630 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.608 6.002 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.570 4.730 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.004 6.550 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.680 6.419 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.717 7.652 -3.128 1.00 0.00 H new ATOM 1264 N ARG A 83 2.064 7.175 2.219 1.00 0.00 N ATOM 1265 CA ARG A 83 3.123 6.909 3.224 1.00 0.00 C ATOM 1266 C ARG A 83 2.931 5.496 3.754 1.00 0.00 C ATOM 1267 O ARG A 83 1.821 5.059 3.972 1.00 0.00 O ATOM 1268 CB ARG A 83 3.012 7.907 4.374 1.00 0.00 C ATOM 1269 CG ARG A 83 4.103 7.603 5.405 1.00 0.00 C ATOM 1270 CD ARG A 83 4.192 8.750 6.412 1.00 0.00 C ATOM 1271 NE ARG A 83 3.072 8.653 7.392 1.00 0.00 N ATOM 1272 CZ ARG A 83 3.266 8.094 8.557 1.00 0.00 C ATOM 1273 NH1 ARG A 83 4.426 7.572 8.846 1.00 0.00 N ATOM 1274 NH2 ARG A 83 2.297 8.051 9.428 1.00 0.00 N ATOM 0 H ARG A 83 1.283 6.519 2.234 1.00 0.00 H new ATOM 0 HA ARG A 83 4.107 7.012 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.120 8.925 4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.027 7.840 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.880 6.669 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.062 7.469 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.148 8.714 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.149 9.707 5.891 1.00 0.00 H new ATOM 0 HE ARG A 83 2.153 9.024 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.182 7.600 8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.577 7.136 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.388 8.454 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.448 7.615 10.338 1.00 0.00 H new ATOM 1288 N GLU A 84 3.990 4.775 3.971 1.00 0.00 N ATOM 1289 CA GLU A 84 3.822 3.400 4.493 1.00 0.00 C ATOM 1290 C GLU A 84 4.434 3.299 5.876 1.00 0.00 C ATOM 1291 O GLU A 84 5.490 3.834 6.138 1.00 0.00 O ATOM 1292 CB GLU A 84 4.485 2.372 3.570 1.00 0.00 C ATOM 1293 CG GLU A 84 5.891 2.823 3.168 1.00 0.00 C ATOM 1294 CD GLU A 84 5.818 4.140 2.390 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.465 5.086 2.810 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.121 4.179 1.391 1.00 0.00 O ATOM 0 H GLU A 84 4.952 5.074 3.812 1.00 0.00 H new ATOM 0 HA GLU A 84 2.754 3.185 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.539 1.407 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.875 2.232 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.509 2.950 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.367 2.056 2.557 1.00 0.00 H new ATOM 1304 N LEU A 85 3.791 2.607 6.769 1.00 0.00 N ATOM 1305 CA LEU A 85 4.373 2.473 8.121 1.00 0.00 C ATOM 1306 C LEU A 85 5.187 1.182 8.146 1.00 0.00 C ATOM 1307 O LEU A 85 4.660 0.098 7.988 1.00 0.00 O ATOM 1308 CB LEU A 85 3.253 2.412 9.168 1.00 0.00 C ATOM 1309 CG LEU A 85 2.268 3.567 8.948 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.397 3.754 10.191 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.029 4.864 8.670 1.00 0.00 C ATOM 0 H LEU A 85 2.899 2.135 6.621 1.00 0.00 H new ATOM 0 HA LEU A 85 5.008 3.328 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.730 1.458 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.677 2.470 10.170 1.00 0.00 H new ATOM 0 HG LEU A 85 1.638 3.327 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.700 4.576 10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.839 2.838 10.385 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.031 3.981 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.319 5.676 8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.670 5.099 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.641 4.742 7.776 1.00 0.00 H new ATOM 1323 N ASN A 86 6.476 1.291 8.320 1.00 0.00 N ATOM 1324 CA ASN A 86 7.327 0.073 8.330 1.00 0.00 C ATOM 1325 C ASN A 86 7.952 -0.100 9.709 1.00 0.00 C ATOM 1326 O ASN A 86 8.741 0.709 10.153 1.00 0.00 O ATOM 1327 CB ASN A 86 8.435 0.217 7.281 1.00 0.00 C ATOM 1328 CG ASN A 86 8.788 1.693 7.095 1.00 0.00 C ATOM 1329 OD1 ASN A 86 9.068 2.390 8.050 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.787 2.206 5.893 1.00 0.00 N ATOM 0 H ASN A 86 6.974 2.171 8.455 1.00 0.00 H new ATOM 0 HA ASN A 86 6.716 -0.799 8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.318 -0.340 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.108 -0.210 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.021 3.190 5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.552 1.623 5.090 1.00 0.00 H new ATOM 1337 N TYR A 87 7.606 -1.157 10.389 1.00 0.00 N ATOM 1338 CA TYR A 87 8.181 -1.394 11.736 1.00 0.00 C ATOM 1339 C TYR A 87 8.152 -2.880 12.052 1.00 0.00 C ATOM 1340 O TYR A 87 7.329 -3.619 11.551 1.00 0.00 O ATOM 1341 CB TYR A 87 7.363 -0.651 12.789 1.00 0.00 C ATOM 1342 CG TYR A 87 5.903 -0.990 12.619 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.103 -0.213 11.776 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.346 -2.079 13.303 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.747 -0.520 11.616 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.990 -2.388 13.144 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.189 -1.607 12.300 1.00 0.00 C ATOM 1348 OH TYR A 87 1.852 -1.910 12.145 1.00 0.00 O ATOM 0 H TYR A 87 6.948 -1.867 10.067 1.00 0.00 H new ATOM 0 HA TYR A 87 9.209 -1.032 11.747 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.698 -0.928 13.788 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.512 0.424 12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.532 0.625 11.247 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.964 -2.680 13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.131 0.082 10.965 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.562 -3.228 13.671 1.00 0.00 H new ATOM 0 HH TYR A 87 1.629 -2.694 12.689 1.00 0.00 H new ATOM 1444 N PRO A 93 9.378 -6.937 10.271 1.00 0.00 N ATOM 1445 CA PRO A 93 9.044 -5.568 9.768 1.00 0.00 C ATOM 1446 C PRO A 93 7.917 -5.587 8.753 1.00 0.00 C ATOM 1447 O PRO A 93 7.979 -6.289 7.770 1.00 0.00 O ATOM 1448 CB PRO A 93 10.323 -5.101 9.091 1.00 0.00 C ATOM 1449 CG PRO A 93 11.022 -6.352 8.688 1.00 0.00 C ATOM 1450 CD PRO A 93 10.635 -7.425 9.693 1.00 0.00 C ATOM 0 HA PRO A 93 8.709 -4.921 10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.106 -4.474 8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.935 -4.507 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.733 -6.647 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.102 -6.204 8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.503 -8.394 9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.402 -7.551 10.457 1.00 0.00 H new ATOM 1458 N LYS A 94 6.903 -4.811 8.966 1.00 0.00 N ATOM 1459 CA LYS A 94 5.781 -4.803 7.997 1.00 0.00 C ATOM 1460 C LYS A 94 5.648 -3.441 7.339 1.00 0.00 C ATOM 1461 O LYS A 94 5.363 -2.453 7.986 1.00 0.00 O ATOM 1462 CB LYS A 94 4.478 -5.112 8.731 1.00 0.00 C ATOM 1463 CG LYS A 94 4.503 -6.543 9.278 1.00 0.00 C ATOM 1464 CD LYS A 94 3.152 -6.866 9.917 1.00 0.00 C ATOM 1465 CE LYS A 94 2.107 -7.089 8.818 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.883 -8.550 8.634 1.00 0.00 N ATOM 0 H LYS A 94 6.800 -4.184 9.764 1.00 0.00 H new ATOM 0 HA LYS A 94 5.982 -5.554 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.337 -4.405 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.633 -4.989 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.715 -7.248 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.300 -6.649 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.236 -7.757 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.841 -6.049 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.172 -6.598 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.446 -6.642 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.948 -8.707 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.618 -8.938 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.926 -9.027 9.557 1.00 0.00 H new ATOM 1480 N THR A 95 5.795 -3.384 6.046 1.00 0.00 N ATOM 1481 CA THR A 95 5.613 -2.089 5.355 1.00 0.00 C ATOM 1482 C THR A 95 4.125 -1.943 5.092 1.00 0.00 C ATOM 1483 O THR A 95 3.518 -2.777 4.452 1.00 0.00 O ATOM 1484 CB THR A 95 6.366 -2.078 4.022 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.763 -2.027 4.271 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.941 -0.852 3.207 1.00 0.00 C ATOM 0 H THR A 95 6.031 -4.174 5.446 1.00 0.00 H new ATOM 0 HA THR A 95 5.999 -1.272 5.965 1.00 0.00 H new ATOM 0 HB THR A 95 6.132 -2.983 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.247 -2.022 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.476 -0.843 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.868 -0.895 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.176 0.055 3.765 1.00 0.00 H new ATOM 1494 N VAL A 96 3.529 -0.906 5.589 1.00 0.00 N ATOM 1495 CA VAL A 96 2.076 -0.733 5.372 1.00 0.00 C ATOM 1496 C VAL A 96 1.841 0.579 4.636 1.00 0.00 C ATOM 1497 O VAL A 96 2.144 1.636 5.136 1.00 0.00 O ATOM 1498 CB VAL A 96 1.375 -0.699 6.731 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.126 -0.537 6.520 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.644 -2.009 7.480 1.00 0.00 C ATOM 0 H VAL A 96 3.983 -0.173 6.134 1.00 0.00 H new ATOM 0 HA VAL A 96 1.679 -1.557 4.779 1.00 0.00 H new ATOM 0 HB VAL A 96 1.756 0.138 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.629 -0.512 7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.320 0.393 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.504 -1.376 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.144 -1.984 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.262 -2.847 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.717 -2.129 7.629 1.00 0.00 H new ATOM 1510 N ILE A 97 1.290 0.513 3.457 1.00 0.00 N ATOM 1511 CA ILE A 97 1.023 1.759 2.682 1.00 0.00 C ATOM 1512 C ILE A 97 -0.408 2.205 2.963 1.00 0.00 C ATOM 1513 O ILE A 97 -1.345 1.448 2.809 1.00 0.00 O ATOM 1514 CB ILE A 97 1.194 1.464 1.187 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.585 0.850 0.940 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.039 2.759 0.382 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.557 1.910 0.395 1.00 0.00 C ATOM 0 H ILE A 97 1.012 -0.352 2.994 1.00 0.00 H new ATOM 0 HA ILE A 97 1.717 2.547 2.973 1.00 0.00 H new ATOM 0 HB ILE A 97 0.429 0.756 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.975 0.435 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.504 0.025 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.161 2.544 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.048 3.179 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.797 3.476 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.534 1.456 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.174 2.305 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.653 2.721 1.117 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.587 3.421 3.407 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.961 3.896 3.729 1.00 0.00 C ATOM 1531 C TYR A 98 -2.407 5.007 2.783 1.00 0.00 C ATOM 1532 O TYR A 98 -1.708 5.976 2.565 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.979 4.459 5.150 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.974 3.335 6.156 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.058 2.454 6.231 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.889 3.182 7.024 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.057 1.422 7.174 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.888 2.148 7.968 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.972 1.269 8.042 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.975 0.253 8.977 1.00 0.00 O ATOM 0 H TYR A 98 0.157 4.102 3.560 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.637 3.047 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.111 5.100 5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.864 5.080 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.896 2.571 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.051 3.861 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.895 0.743 7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.050 2.030 8.639 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.093 0.195 9.400 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.601 4.893 2.272 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.155 5.956 1.393 1.00 0.00 C ATOM 1552 C TRP A 99 -5.361 6.544 2.123 1.00 0.00 C ATOM 1553 O TRP A 99 -6.106 5.829 2.765 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.620 5.374 0.054 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.459 5.167 -0.865 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.960 6.100 -1.707 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.659 3.967 -1.062 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.908 5.545 -2.414 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.683 4.234 -2.048 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.688 2.686 -0.485 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.766 3.261 -2.450 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.763 1.708 -0.885 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.807 1.994 -1.867 1.00 0.00 C ATOM 0 H TRP A 99 -4.222 4.099 2.429 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.393 6.707 1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.131 4.426 0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.341 6.047 -0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.323 7.112 -1.811 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.366 6.044 -3.119 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.425 2.453 0.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.030 3.487 -3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.789 0.728 -0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.102 1.235 -2.173 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.579 7.820 2.044 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.756 8.380 2.758 1.00 0.00 C ATOM 1576 C LEU A 100 -8.012 8.051 1.950 1.00 0.00 C ATOM 1577 O LEU A 100 -8.031 8.171 0.740 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.607 9.897 2.909 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.125 10.284 2.882 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.979 11.745 3.303 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.335 9.398 3.850 1.00 0.00 C ATOM 0 H LEU A 100 -5.009 8.490 1.528 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.830 7.944 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.138 10.405 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.059 10.224 3.845 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.737 10.147 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.926 12.025 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.535 12.380 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.372 11.874 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.282 9.680 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.721 9.529 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.438 8.354 3.554 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.057 7.620 2.603 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.303 7.263 1.863 1.00 0.00 C ATOM 1595 C ALA A 101 -11.525 7.845 2.578 1.00 0.00 C ATOM 1596 O ALA A 101 -11.490 8.134 3.754 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.433 5.741 1.801 1.00 0.00 C ATOM 0 H ALA A 101 -9.103 7.500 3.615 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.250 7.674 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.342 5.475 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.569 5.323 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.481 5.338 2.813 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.607 8.017 1.866 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.837 8.587 2.493 1.00 0.00 C ATOM 1605 C GLU A 102 -15.055 7.723 2.133 1.00 0.00 C ATOM 1606 O GLU A 102 -15.395 7.583 0.979 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.044 10.001 1.951 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.253 10.650 2.624 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.545 11.991 1.947 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.814 12.346 1.036 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.498 12.640 2.349 1.00 0.00 O ATOM 0 H GLU A 102 -12.693 7.787 0.876 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.724 8.607 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.152 10.602 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.194 9.967 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.121 9.995 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.057 10.800 3.686 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.726 7.151 3.109 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.923 6.312 2.789 1.00 0.00 C ATOM 1621 C VAL A 103 -18.125 7.223 2.517 1.00 0.00 C ATOM 1622 O VAL A 103 -18.356 8.198 3.205 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.209 5.337 3.940 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.896 4.711 4.383 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.830 6.053 5.137 1.00 0.00 C ATOM 0 H VAL A 103 -15.498 7.229 4.100 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.729 5.720 1.895 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.910 4.582 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.082 4.015 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.448 4.176 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.215 5.493 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.019 5.333 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.145 6.821 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.769 6.517 4.836 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.863 6.934 1.478 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.021 7.801 1.107 1.00 0.00 C ATOM 1637 C LYS A 104 -21.106 7.806 2.186 1.00 0.00 C ATOM 1638 O LYS A 104 -21.748 8.813 2.411 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.650 7.302 -0.199 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.685 6.367 -0.940 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.341 7.064 -1.160 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.187 7.420 -2.638 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.476 7.965 -3.150 1.00 0.00 N ATOM 0 H LYS A 104 -18.713 6.131 0.867 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.635 8.814 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.580 6.777 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -20.903 8.151 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.539 5.453 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.113 6.076 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.283 7.965 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.526 6.413 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.392 8.155 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.900 6.537 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -19.298 8.539 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.114 7.180 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.918 8.557 -2.418 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.358 6.700 2.827 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.450 6.689 3.841 1.00 0.00 C ATOM 1659 C ASP A 105 -21.905 6.772 5.263 1.00 0.00 C ATOM 1660 O ASP A 105 -20.922 6.155 5.605 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.269 5.409 3.700 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.753 5.768 3.630 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.093 6.656 2.865 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.525 5.154 4.347 1.00 0.00 O ATOM 0 H ASP A 105 -20.865 5.816 2.697 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.074 7.565 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.970 4.869 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.082 4.748 4.546 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.572 7.513 6.103 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.141 7.616 7.522 1.00 0.00 C ATOM 1672 C TYR A 106 -22.415 6.274 8.187 1.00 0.00 C ATOM 1673 O TYR A 106 -21.621 5.760 8.952 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.947 8.708 8.226 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.787 8.576 9.723 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.512 8.605 10.300 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.918 8.421 10.535 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.367 8.484 11.687 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -23.773 8.298 11.923 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.497 8.330 12.497 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.350 8.212 13.866 1.00 0.00 O ATOM 0 H TYR A 106 -23.403 8.055 5.864 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.082 7.867 7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.608 9.691 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.000 8.628 7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.639 8.721 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.902 8.396 10.091 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.383 8.510 12.132 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.645 8.179 12.549 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.232 8.113 14.282 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.540 5.697 7.876 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.896 4.379 8.454 1.00 0.00 C ATOM 1693 C ASP A 107 -23.473 3.286 7.472 1.00 0.00 C ATOM 1694 O ASP A 107 -23.903 2.152 7.568 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.408 4.311 8.687 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.790 5.265 9.821 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -26.977 5.461 10.030 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -24.892 5.784 10.461 1.00 0.00 O ATOM 0 H ASP A 107 -24.234 6.089 7.239 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.386 4.238 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.940 4.581 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.703 3.292 8.939 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.629 3.622 6.530 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.163 2.612 5.541 1.00 0.00 C ATOM 1706 C VAL A 108 -21.971 1.286 6.265 1.00 0.00 C ATOM 1707 O VAL A 108 -21.602 1.252 7.422 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.832 3.073 4.951 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.894 3.439 6.096 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.202 1.947 4.123 1.00 0.00 C ATOM 0 H VAL A 108 -22.243 4.558 6.405 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.892 2.495 4.739 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.999 3.935 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.938 3.771 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.336 4.242 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.736 2.567 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.254 2.288 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.028 1.080 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.876 1.672 3.311 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.237 0.199 5.612 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.088 -1.109 6.284 1.00 0.00 C ATOM 1722 C GLU A 109 -20.644 -1.327 6.699 1.00 0.00 C ATOM 1723 O GLU A 109 -19.712 -0.898 6.048 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.533 -2.239 5.363 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.332 -3.110 4.989 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.758 -4.136 3.939 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.949 -4.363 3.813 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -20.889 -4.668 3.269 1.00 0.00 O ATOM 0 H GLU A 109 -22.551 0.160 4.642 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.719 -1.109 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.293 -2.845 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -22.989 -1.828 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.525 -2.489 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -20.946 -3.617 5.874 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.475 -2.010 7.782 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.119 -2.310 8.289 1.00 0.00 C ATOM 1738 C ILE A 110 -18.964 -3.821 8.432 1.00 0.00 C ATOM 1739 O ILE A 110 -19.559 -4.434 9.293 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.938 -1.631 9.643 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.872 -0.115 9.447 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.654 -2.130 10.297 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.678 0.246 8.557 1.00 0.00 C ATOM 0 H ILE A 110 -21.235 -2.382 8.351 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.363 -1.939 7.597 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.782 -1.872 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.796 0.242 8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.779 0.381 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.526 -1.644 11.264 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.713 -3.209 10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.804 -1.894 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.638 1.327 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.756 -0.095 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.789 -0.237 7.586 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.164 -4.425 7.602 1.00 0.00 N ATOM 1756 CA ARG A 111 -17.970 -5.895 7.699 1.00 0.00 C ATOM 1757 C ARG A 111 -16.614 -6.163 8.317 1.00 0.00 C ATOM 1758 O ARG A 111 -15.580 -5.873 7.746 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.050 -6.521 6.314 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.497 -6.451 5.848 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.604 -6.915 4.401 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.021 -6.815 3.964 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.420 -7.452 2.903 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.573 -8.174 2.223 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.665 -7.369 2.521 1.00 0.00 N ATOM 0 H ARG A 111 -17.636 -3.964 6.861 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.750 -6.334 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.400 -5.991 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.709 -7.556 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.123 -7.075 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.868 -5.430 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.969 -6.302 3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.253 -7.943 4.308 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.680 -6.247 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.600 -8.238 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.883 -8.675 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.326 -6.804 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.977 -7.869 1.689 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.617 -6.701 9.493 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.339 -6.978 10.181 1.00 0.00 C ATOM 1781 C LEU A 112 -14.940 -8.432 9.955 1.00 0.00 C ATOM 1782 O LEU A 112 -15.769 -9.317 9.919 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.511 -6.731 11.678 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.227 -5.398 11.911 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.089 -5.000 13.382 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.609 -4.311 11.028 1.00 0.00 C ATOM 0 H LEU A 112 -17.455 -6.963 10.012 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.563 -6.323 9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.083 -7.544 12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.537 -6.720 12.167 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.281 -5.507 11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.598 -4.051 13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.537 -5.769 14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.033 -4.896 13.633 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.124 -3.366 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.553 -4.199 11.274 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.709 -4.593 9.980 1.00 0.00 H new ATOM 1798 N SER A 113 -13.672 -8.683 9.816 1.00 0.00 N ATOM 1799 CA SER A 113 -13.203 -10.077 9.606 1.00 0.00 C ATOM 1800 C SER A 113 -13.001 -10.736 10.973 1.00 0.00 C ATOM 1801 O SER A 113 -13.078 -10.087 11.997 1.00 0.00 O ATOM 1802 CB SER A 113 -11.882 -10.059 8.839 1.00 0.00 C ATOM 1803 OG SER A 113 -12.098 -9.516 7.542 1.00 0.00 O ATOM 0 H SER A 113 -12.935 -7.978 9.839 1.00 0.00 H new ATOM 0 HA SER A 113 -13.939 -10.639 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.144 -9.463 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.480 -11.069 8.760 1.00 0.00 H new ATOM 0 HG SER A 113 -13.047 -9.298 7.432 1.00 0.00 H new ATOM 1809 N HIS A 114 -12.744 -12.015 11.005 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.551 -12.693 12.316 1.00 0.00 C ATOM 1811 C HIS A 114 -11.516 -11.921 13.141 1.00 0.00 C ATOM 1812 O HIS A 114 -11.621 -11.823 14.347 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.058 -14.121 12.085 1.00 0.00 C ATOM 1814 CG HIS A 114 -10.710 -14.082 11.423 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -10.538 -13.625 10.122 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -9.458 -14.438 11.861 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -9.228 -13.716 9.829 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -8.529 -14.204 10.854 1.00 0.00 N ATOM 0 H HIS A 114 -12.660 -12.616 10.185 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.498 -12.720 12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.994 -14.654 13.034 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.766 -14.666 11.461 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.230 -14.838 12.838 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.796 -13.429 8.881 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -7.523 -14.371 10.891 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.522 -11.366 12.505 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.493 -10.595 13.263 1.00 0.00 C ATOM 1829 C GLU A 115 -10.156 -9.408 13.966 1.00 0.00 C ATOM 1830 O GLU A 115 -9.718 -8.973 15.012 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.414 -10.083 12.304 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.320 -9.371 13.104 1.00 0.00 C ATOM 1833 CD GLU A 115 -6.268 -8.805 12.150 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.452 -8.932 10.952 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -5.293 -8.250 12.636 1.00 0.00 O ATOM 0 H GLU A 115 -10.376 -11.412 11.496 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.033 -11.248 14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.987 -10.914 11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.852 -9.399 11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.755 -8.568 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.855 -10.067 13.802 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.205 -8.877 13.396 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.891 -7.714 14.030 1.00 0.00 C ATOM 1845 C HIS A 116 -13.316 -8.107 14.432 1.00 0.00 C ATOM 1846 O HIS A 116 -13.979 -8.858 13.744 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.946 -6.555 13.035 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.564 -6.014 12.812 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.915 -5.236 13.760 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.697 -6.122 11.754 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.711 -4.905 13.257 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.531 -5.422 12.040 1.00 0.00 N ATOM 0 H HIS A 116 -11.616 -9.198 12.519 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.338 -7.410 14.919 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.371 -6.894 12.090 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.598 -5.768 13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.891 -6.666 10.841 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.982 -4.298 13.773 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.709 -5.324 11.444 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.789 -7.602 15.541 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.170 -7.947 15.990 1.00 0.00 C ATOM 1863 C GLN A 117 -15.992 -6.672 16.204 1.00 0.00 C ATOM 1864 O GLN A 117 -17.205 -6.712 16.233 1.00 0.00 O ATOM 1865 CB GLN A 117 -15.096 -8.726 17.302 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.526 -7.831 18.406 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.461 -8.621 19.715 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -15.360 -9.376 20.026 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -13.429 -8.479 20.500 1.00 0.00 N ATOM 0 H GLN A 117 -13.279 -6.966 16.155 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.650 -8.555 15.223 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -16.089 -9.078 17.583 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.469 -9.608 17.177 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.531 -7.481 18.129 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.151 -6.947 18.532 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.674 -7.845 20.240 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.377 -9.002 21.374 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.351 -5.545 16.366 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.114 -4.283 16.591 1.00 0.00 C ATOM 1880 C ALA A 118 -15.352 -3.093 16.003 1.00 0.00 C ATOM 1881 O ALA A 118 -14.151 -3.135 15.841 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.304 -4.073 18.095 1.00 0.00 C ATOM 0 H ALA A 118 -14.336 -5.444 16.352 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.084 -4.358 16.100 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.861 -3.152 18.266 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.857 -4.914 18.513 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.330 -4.003 18.579 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.044 -2.032 15.684 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.361 -0.837 15.105 1.00 0.00 C ATOM 1890 C TYR A 119 -15.932 0.441 15.719 1.00 0.00 C ATOM 1891 O TYR A 119 -17.016 0.446 16.270 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.579 -0.817 13.592 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.041 -0.593 13.300 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.924 -1.676 13.335 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.512 0.691 12.989 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.280 -1.483 13.057 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.871 0.884 12.713 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.755 -0.201 12.746 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.092 -0.010 12.467 1.00 0.00 O ATOM 0 H TYR A 119 -17.053 -1.940 15.799 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.295 -0.891 15.324 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.981 -0.027 13.138 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.249 -1.759 13.153 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.558 -2.663 13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.829 1.527 12.963 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.961 -2.321 13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.238 1.871 12.474 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.254 0.937 12.273 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.211 1.527 15.631 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.713 2.803 16.209 1.00 0.00 C ATOM 1911 C ARG A 120 -15.439 3.951 15.246 1.00 0.00 C ATOM 1912 O ARG A 120 -14.463 3.958 14.523 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.988 3.106 17.521 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.269 2.004 18.539 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.667 2.406 19.886 1.00 0.00 C ATOM 1916 NE ARG A 120 -14.751 1.257 20.832 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.734 1.179 21.688 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.657 2.100 21.719 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.793 0.170 22.512 1.00 0.00 N ATOM 0 H ARG A 120 -14.296 1.583 15.183 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.784 2.701 16.385 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.915 3.184 17.344 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.317 4.068 17.914 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.343 1.848 18.638 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -14.840 1.061 18.201 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.628 2.708 19.756 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.200 3.265 20.293 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.037 0.528 20.811 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.614 2.887 21.072 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.422 2.033 22.390 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.074 -0.553 22.486 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -16.558 0.104 23.183 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.283 4.940 15.262 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.071 6.118 14.386 1.00 0.00 C ATOM 1935 C TRP A 121 -15.702 7.300 15.280 1.00 0.00 C ATOM 1936 O TRP A 121 -16.529 7.815 16.005 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.359 6.418 13.621 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.430 5.524 12.424 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.072 4.335 12.374 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.837 5.727 11.114 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.909 3.794 11.110 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.154 4.618 10.297 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.061 6.760 10.561 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.714 4.538 8.973 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.617 6.683 9.234 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.941 5.575 8.441 1.00 0.00 C ATOM 0 H TRP A 121 -17.116 4.982 15.849 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.276 5.930 13.665 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.225 6.258 14.263 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.380 7.463 13.313 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.621 3.882 13.186 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.298 2.898 10.815 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.805 7.619 11.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.969 3.682 8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -15.021 7.483 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.594 5.521 7.420 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.463 7.711 15.266 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.054 8.835 16.153 1.00 0.00 C ATOM 1959 C LEU A 122 -13.285 9.887 15.363 1.00 0.00 C ATOM 1960 O LEU A 122 -12.977 9.717 14.201 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.145 8.329 17.275 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.385 6.842 17.561 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.128 6.059 17.194 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.693 6.643 19.052 1.00 0.00 C ATOM 0 H LEU A 122 -13.722 7.320 14.684 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.961 9.270 16.572 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.102 8.484 16.999 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.324 8.909 18.180 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.230 6.487 16.971 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.288 4.999 17.394 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -11.908 6.200 16.136 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.289 6.418 17.790 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.863 5.585 19.250 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.850 6.993 19.648 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.585 7.210 19.318 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.960 10.973 16.008 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.198 12.047 15.329 1.00 0.00 C ATOM 1978 C GLY A 123 -10.710 11.698 15.371 1.00 0.00 C ATOM 1979 O GLY A 123 -10.321 10.623 15.787 1.00 0.00 O ATOM 0 H GLY A 123 -13.193 11.160 16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.532 12.152 14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.375 13.004 15.820 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.875 12.594 14.939 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.414 12.319 14.944 1.00 0.00 C ATOM 1985 C LEU A 124 -7.919 12.035 16.364 1.00 0.00 C ATOM 1986 O LEU A 124 -7.111 11.154 16.575 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.683 13.544 14.393 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.170 13.353 14.503 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.767 11.984 13.945 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.477 14.446 13.690 1.00 0.00 C ATOM 0 H LEU A 124 -10.141 13.511 14.580 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.216 11.443 14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.961 13.704 13.351 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.985 14.435 14.944 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.874 13.411 15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.687 11.860 14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.267 11.199 14.511 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.059 11.918 12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.396 14.322 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.784 14.373 12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.756 15.424 14.083 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.369 12.780 17.336 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.877 12.551 18.727 1.00 0.00 C ATOM 2004 C GLU A 125 -8.211 11.128 19.198 1.00 0.00 C ATOM 2005 O GLU A 125 -7.330 10.372 19.548 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.522 13.577 19.661 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.024 13.306 19.776 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.706 14.500 20.444 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.025 15.480 20.698 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -11.896 14.414 20.692 1.00 0.00 O ATOM 0 H GLU A 125 -9.050 13.532 17.231 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.793 12.666 18.743 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.058 13.527 20.646 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.354 14.584 19.280 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.451 13.136 18.788 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.198 12.401 20.358 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.461 10.744 19.188 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.817 9.361 19.627 1.00 0.00 C ATOM 2020 C GLU A 126 -9.092 8.370 18.742 1.00 0.00 C ATOM 2021 O GLU A 126 -8.474 7.428 19.198 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.313 9.150 19.455 1.00 0.00 C ATOM 2023 CG GLU A 126 -12.046 9.402 20.772 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.756 8.267 21.757 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.303 7.224 21.314 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -12.000 8.458 22.937 1.00 0.00 O ATOM 0 H GLU A 126 -10.247 11.325 18.897 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.536 9.222 20.671 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.694 9.822 18.686 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.506 8.133 19.114 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.729 10.354 21.198 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.119 9.474 20.593 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.158 8.595 17.473 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.473 7.698 16.532 1.00 0.00 C ATOM 2036 C ALA A 127 -6.987 7.689 16.898 1.00 0.00 C ATOM 2037 O ALA A 127 -6.279 6.732 16.659 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.698 8.214 15.108 1.00 0.00 C ATOM 0 H ALA A 127 -9.663 9.371 17.045 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.860 6.680 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.194 7.557 14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.766 8.231 14.892 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.294 9.222 15.018 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.522 8.751 17.509 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.093 8.811 17.924 1.00 0.00 C ATOM 2046 C CYS A 128 -4.917 8.078 19.259 1.00 0.00 C ATOM 2047 O CYS A 128 -4.106 7.179 19.371 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.662 10.268 18.095 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.054 10.523 19.782 1.00 0.00 S ATOM 0 H CYS A 128 -7.074 9.578 17.737 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.480 8.338 17.157 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -3.882 10.515 17.375 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.502 10.933 17.895 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.685 11.761 19.928 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.662 8.447 20.279 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.493 7.742 21.589 1.00 0.00 C ATOM 2057 C GLN A 129 -5.717 6.248 21.374 1.00 0.00 C ATOM 2058 O GLN A 129 -4.920 5.431 21.786 1.00 0.00 O ATOM 2059 CB GLN A 129 -6.486 8.225 22.663 1.00 0.00 C ATOM 2060 CG GLN A 129 -7.532 9.177 22.103 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.897 8.583 22.419 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -9.766 9.250 22.948 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.118 7.338 22.102 1.00 0.00 N ATOM 0 H GLN A 129 -6.363 9.188 20.262 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.485 7.959 21.944 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.984 7.363 23.107 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.938 8.723 23.463 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.430 10.166 22.550 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.405 9.298 21.027 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.383 6.786 21.659 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.026 6.915 22.297 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.787 5.879 20.714 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.021 4.430 20.467 1.00 0.00 C ATOM 2074 C LEU A 130 -5.833 3.906 19.674 1.00 0.00 C ATOM 2075 O LEU A 130 -5.240 2.898 20.000 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.287 4.232 19.638 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.524 4.597 20.456 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.590 5.123 19.518 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.070 3.356 21.160 1.00 0.00 C ATOM 0 H LEU A 130 -7.497 6.510 20.342 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.135 3.903 21.414 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.242 4.849 18.741 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.355 3.195 19.308 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.255 5.349 21.198 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.479 5.388 20.090 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.216 6.006 19.000 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.843 4.355 18.788 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -10.952 3.626 21.741 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.340 2.606 20.417 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.308 2.950 21.825 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.466 4.617 18.644 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.299 4.206 17.829 1.00 0.00 C ATOM 2093 C ALA A 131 -3.043 4.641 18.572 1.00 0.00 C ATOM 2094 O ALA A 131 -2.172 5.288 18.027 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.366 4.886 16.462 1.00 0.00 C ATOM 0 H ALA A 131 -5.931 5.470 18.333 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.292 3.127 17.675 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.507 4.583 15.863 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.285 4.592 15.954 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.354 5.968 16.593 1.00 0.00 H new ATOM 2101 N GLN A 132 -2.967 4.295 19.826 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.793 4.683 20.653 1.00 0.00 C ATOM 2103 C GLN A 132 -0.530 4.613 19.808 1.00 0.00 C ATOM 2104 O GLN A 132 0.368 5.419 19.949 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.661 3.706 21.814 1.00 0.00 C ATOM 2106 CG GLN A 132 -1.946 2.288 21.315 1.00 0.00 C ATOM 2107 CD GLN A 132 -0.873 1.338 21.840 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -1.177 0.252 22.296 1.00 0.00 O ATOM 2109 NE2 GLN A 132 0.379 1.703 21.796 1.00 0.00 N ATOM 0 H GLN A 132 -3.677 3.753 20.318 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.930 5.698 21.027 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.658 3.760 22.238 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.358 3.971 22.609 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.930 1.964 21.652 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.960 2.271 20.225 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.631 2.614 21.413 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.105 1.077 22.144 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.450 3.659 18.932 1.00 0.00 N ATOM 2119 CA PHE A 133 0.759 3.550 18.087 1.00 0.00 C ATOM 2120 C PHE A 133 1.021 4.914 17.448 1.00 0.00 C ATOM 2121 O PHE A 133 0.192 5.455 16.745 1.00 0.00 O ATOM 2122 CB PHE A 133 0.531 2.489 17.013 1.00 0.00 C ATOM 2123 CG PHE A 133 0.002 1.220 17.649 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.357 0.878 18.965 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.853 0.384 16.921 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.140 -0.297 19.542 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.348 -0.791 17.502 1.00 0.00 C ATOM 2128 CZ PHE A 133 -0.993 -1.131 18.812 1.00 0.00 C ATOM 0 H PHE A 133 -1.167 2.953 18.766 1.00 0.00 H new ATOM 0 HA PHE A 133 1.622 3.256 18.684 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.177 2.857 16.270 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.464 2.282 16.489 1.00 0.00 H new ATOM 0 HD1 PHE A 133 1.013 1.522 19.532 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.131 0.645 15.911 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.136 -0.560 20.553 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.005 -1.436 16.937 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.377 -2.036 19.259 1.00 0.00 H new ATOM 2138 N LYS A 134 2.165 5.478 17.711 1.00 0.00 N ATOM 2139 CA LYS A 134 2.501 6.819 17.154 1.00 0.00 C ATOM 2140 C LYS A 134 2.386 6.809 15.631 1.00 0.00 C ATOM 2141 O LYS A 134 1.951 7.766 15.023 1.00 0.00 O ATOM 2142 CB LYS A 134 3.934 7.176 17.555 1.00 0.00 C ATOM 2143 CG LYS A 134 4.296 8.559 17.015 1.00 0.00 C ATOM 2144 CD LYS A 134 5.741 8.890 17.392 1.00 0.00 C ATOM 2145 CE LYS A 134 6.038 10.350 17.050 1.00 0.00 C ATOM 2146 NZ LYS A 134 5.400 11.239 18.064 1.00 0.00 N ATOM 0 H LYS A 134 2.891 5.063 18.295 1.00 0.00 H new ATOM 0 HA LYS A 134 1.804 7.557 17.550 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.031 7.163 18.641 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.627 6.431 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.177 8.581 15.932 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.621 9.310 17.425 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.899 8.716 18.456 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.427 8.234 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.115 10.518 17.030 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.660 10.586 16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.801 12.196 17.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.375 11.279 17.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.579 10.863 19.017 1.00 0.00 H new ATOM 2160 N GLU A 135 2.782 5.741 15.008 1.00 0.00 N ATOM 2161 CA GLU A 135 2.716 5.670 13.522 1.00 0.00 C ATOM 2162 C GLU A 135 1.299 5.965 13.061 1.00 0.00 C ATOM 2163 O GLU A 135 1.074 6.707 12.126 1.00 0.00 O ATOM 2164 CB GLU A 135 3.061 4.250 13.089 1.00 0.00 C ATOM 2165 CG GLU A 135 4.238 3.751 13.917 1.00 0.00 C ATOM 2166 CD GLU A 135 4.614 2.345 13.465 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.615 1.837 13.943 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.889 1.799 12.649 1.00 0.00 O ATOM 0 H GLU A 135 3.152 4.907 15.464 1.00 0.00 H new ATOM 0 HA GLU A 135 3.410 6.393 13.092 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.200 3.595 13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.312 4.230 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.089 4.422 13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.977 3.747 14.975 1.00 0.00 H new ATOM 2176 N MET A 136 0.347 5.369 13.705 1.00 0.00 N ATOM 2177 CA MET A 136 -1.058 5.586 13.310 1.00 0.00 C ATOM 2178 C MET A 136 -1.501 6.972 13.754 1.00 0.00 C ATOM 2179 O MET A 136 -2.104 7.709 13.000 1.00 0.00 O ATOM 2180 CB MET A 136 -1.903 4.510 13.966 1.00 0.00 C ATOM 2181 CG MET A 136 -1.307 3.141 13.625 1.00 0.00 C ATOM 2182 SD MET A 136 -1.042 3.005 11.838 1.00 0.00 S ATOM 2183 CE MET A 136 -2.696 3.496 11.290 1.00 0.00 C ATOM 0 H MET A 136 0.484 4.737 14.493 1.00 0.00 H new ATOM 0 HA MET A 136 -1.172 5.526 12.228 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.926 4.654 15.046 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.933 4.572 13.615 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.362 3.005 14.152 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.977 2.350 13.962 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.894 3.072 10.305 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.438 3.129 11.999 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.753 4.583 11.235 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.176 7.360 14.958 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.558 8.724 15.391 1.00 0.00 C ATOM 2195 C LYS A 137 -0.973 9.679 14.365 1.00 0.00 C ATOM 2196 O LYS A 137 -1.565 10.678 14.023 1.00 0.00 O ATOM 2197 CB LYS A 137 -0.987 9.015 16.780 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.865 8.340 17.836 1.00 0.00 C ATOM 2199 CD LYS A 137 -0.997 7.586 18.843 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.272 8.569 19.761 1.00 0.00 C ATOM 2201 NZ LYS A 137 0.032 9.821 19.014 1.00 0.00 N ATOM 0 H LYS A 137 -0.672 6.800 15.645 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.641 8.833 15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.036 8.646 16.850 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.951 10.090 16.953 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.466 9.089 18.352 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.559 7.650 17.355 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.617 6.914 19.436 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.271 6.967 18.316 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.890 8.794 20.630 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.650 8.122 20.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.721 10.386 19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.429 9.582 18.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.842 10.370 18.887 1.00 0.00 H new ATOM 2215 N ALA A 138 0.179 9.334 13.844 1.00 0.00 N ATOM 2216 CA ALA A 138 0.821 10.174 12.796 1.00 0.00 C ATOM 2217 C ALA A 138 0.085 9.940 11.478 1.00 0.00 C ATOM 2218 O ALA A 138 -0.264 10.862 10.774 1.00 0.00 O ATOM 2219 CB ALA A 138 2.281 9.763 12.632 1.00 0.00 C ATOM 0 H ALA A 138 0.703 8.499 14.105 1.00 0.00 H new ATOM 0 HA ALA A 138 0.774 11.225 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.748 10.379 11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.806 9.900 13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.333 8.715 12.337 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.163 8.695 11.155 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.890 8.384 9.896 1.00 0.00 C ATOM 2227 C ALA A 139 -2.235 9.093 9.945 1.00 0.00 C ATOM 2228 O ALA A 139 -2.618 9.805 9.037 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.116 6.873 9.808 1.00 0.00 C ATOM 0 H ALA A 139 0.108 7.884 11.711 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.317 8.713 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.649 6.638 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.154 6.360 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.706 6.543 10.663 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.938 8.928 11.026 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.245 9.606 11.183 1.00 0.00 C ATOM 2237 C LEU A 140 -3.976 11.113 11.244 1.00 0.00 C ATOM 2238 O LEU A 140 -4.781 11.925 10.836 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.893 9.139 12.490 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.959 7.608 12.523 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.892 7.122 13.974 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.275 7.133 11.902 1.00 0.00 C ATOM 0 H LEU A 140 -2.658 8.345 11.815 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.914 9.373 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.319 9.505 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.896 9.557 12.578 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.119 7.205 11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.939 6.033 13.996 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.957 7.454 14.426 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.732 7.533 14.534 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.317 6.044 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.113 7.542 12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.334 7.474 10.868 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.834 11.472 11.770 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.454 12.912 11.895 1.00 0.00 C ATOM 2256 C GLN A 141 -2.070 13.497 10.536 1.00 0.00 C ATOM 2257 O GLN A 141 -2.561 14.535 10.136 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.247 13.008 12.827 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.693 13.455 14.218 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.968 14.960 14.212 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.875 15.607 15.238 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -2.300 15.549 13.096 1.00 0.00 N ATOM 0 H GLN A 141 -2.137 10.817 12.124 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.304 13.471 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.748 12.041 12.890 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.522 13.715 12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.591 12.913 14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.922 13.219 14.951 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.378 15.006 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.482 16.553 13.083 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.185 12.856 9.827 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.764 13.397 8.507 1.00 0.00 C ATOM 2273 C GLU A 142 -1.947 13.359 7.536 1.00 0.00 C ATOM 2274 O GLU A 142 -2.111 14.239 6.712 1.00 0.00 O ATOM 2275 CB GLU A 142 0.384 12.550 7.950 1.00 0.00 C ATOM 2276 CG GLU A 142 1.580 12.621 8.904 1.00 0.00 C ATOM 2277 CD GLU A 142 2.728 11.780 8.343 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.493 11.057 7.386 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.820 11.874 8.878 1.00 0.00 O ATOM 0 H GLU A 142 -0.736 11.983 10.104 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.429 14.427 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.062 11.516 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.671 12.911 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.899 13.656 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.295 12.255 9.890 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.777 12.355 7.625 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.946 12.278 6.703 1.00 0.00 C ATOM 2289 C GLY A 143 -4.811 13.529 6.877 1.00 0.00 C ATOM 2290 O GLY A 143 -5.139 14.202 5.925 1.00 0.00 O ATOM 0 H GLY A 143 -2.697 11.588 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.605 12.198 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.533 11.384 6.915 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.171 13.853 8.088 1.00 0.00 N ATOM 2295 CA HIS A 144 -6.002 15.072 8.311 1.00 0.00 C ATOM 2296 C HIS A 144 -5.197 16.294 7.879 1.00 0.00 C ATOM 2297 O HIS A 144 -5.711 17.215 7.277 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.351 15.188 9.798 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.302 16.336 10.008 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.508 16.903 11.260 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.112 17.031 9.146 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.409 17.891 11.114 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -8.808 18.010 9.847 1.00 0.00 N ATOM 0 H HIS A 144 -4.928 13.330 8.930 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.923 15.008 7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.803 14.260 10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.444 15.342 10.383 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -8.196 16.846 8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.765 18.511 11.923 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.481 18.678 9.471 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.930 16.303 8.187 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.069 17.458 7.806 1.00 0.00 C ATOM 2314 C GLN A 145 -3.079 17.643 6.288 1.00 0.00 C ATOM 2315 O GLN A 145 -3.174 18.746 5.787 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.635 17.179 8.262 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.781 18.428 8.046 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.195 19.508 9.047 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.051 19.339 10.240 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.711 20.624 8.604 1.00 0.00 N ATOM 0 H GLN A 145 -3.451 15.556 8.689 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.450 18.362 8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.625 16.896 9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.220 16.340 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.274 18.186 8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.905 18.795 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.832 20.767 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.992 21.352 9.261 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.969 16.572 5.556 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.955 16.676 4.070 1.00 0.00 C ATOM 2331 C PHE A 146 -4.354 17.001 3.532 1.00 0.00 C ATOM 2332 O PHE A 146 -4.526 17.901 2.738 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.487 15.345 3.487 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.513 15.428 1.985 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.678 15.091 1.297 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.377 15.849 1.282 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.718 15.172 -0.098 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.415 15.931 -0.115 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.586 15.592 -0.804 1.00 0.00 C ATOM 0 H PHE A 146 -2.888 15.624 5.924 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.278 17.479 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.479 15.117 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.133 14.537 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.551 14.767 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.475 16.109 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.621 14.911 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.542 16.256 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.615 15.655 -1.882 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.347 16.271 3.950 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.728 16.527 3.449 1.00 0.00 C ATOM 2351 C LEU A 147 -7.114 17.988 3.683 1.00 0.00 C ATOM 2352 O LEU A 147 -7.806 18.588 2.884 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.715 15.609 4.173 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.406 14.152 3.820 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.410 13.235 4.510 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.515 13.955 2.307 1.00 0.00 C ATOM 0 H LEU A 147 -5.264 15.505 4.619 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.760 16.323 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.643 15.757 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.737 15.856 3.885 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.396 13.912 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.189 12.198 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.342 13.368 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.418 13.482 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.295 12.917 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.526 14.200 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.803 14.608 1.803 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.669 18.574 4.754 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.015 19.999 5.003 1.00 0.00 C ATOM 2370 C CYS A 148 -6.231 20.876 4.026 1.00 0.00 C ATOM 2371 O CYS A 148 -6.517 22.045 3.852 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.659 20.376 6.445 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.823 19.581 7.584 1.00 0.00 S ATOM 0 H CYS A 148 -6.085 18.133 5.464 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.084 20.151 4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.640 20.063 6.673 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.695 21.458 6.568 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.252 19.413 8.740 1.00 0.00 H new ATOM 2379 N SER A 149 -5.229 20.316 3.397 1.00 0.00 N ATOM 2380 CA SER A 149 -4.402 21.108 2.438 1.00 0.00 C ATOM 2381 C SER A 149 -4.969 21.023 1.016 1.00 0.00 C ATOM 2382 O SER A 149 -4.462 21.654 0.113 1.00 0.00 O ATOM 2383 CB SER A 149 -2.973 20.566 2.435 1.00 0.00 C ATOM 2384 OG SER A 149 -2.285 21.044 3.580 1.00 0.00 O ATOM 0 H SER A 149 -4.948 19.342 3.507 1.00 0.00 H new ATOM 0 HA SER A 149 -4.415 22.150 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.986 19.476 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.455 20.880 1.529 1.00 0.00 H new ATOM 0 HG SER A 149 -2.459 20.448 4.339 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.002 20.257 0.794 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.551 20.172 -0.588 1.00 0.00 C ATOM 2392 C ILE A 150 -7.643 21.230 -0.755 1.00 0.00 C ATOM 2393 O ILE A 150 -7.453 22.388 -0.445 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.149 18.780 -0.852 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.497 17.732 0.047 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.899 18.401 -2.311 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.301 16.431 -0.046 1.00 0.00 C ATOM 0 H ILE A 150 -6.483 19.695 1.497 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.743 20.344 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.218 18.812 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.465 17.561 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.468 18.085 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.320 17.415 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.372 19.134 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.826 18.383 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.844 15.675 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.325 16.612 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.307 16.080 -1.078 1.00 0.00 H new