USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 54 MET CE :methyl -166:sc= -0.537 (180deg=-0.84) USER MOD Set 1.2: A 58 CYS SG : rot 25:sc= -4.21! USER MOD Set 1.3: A 112 SER OG : rot -51:sc= -0.501 USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0.00119 USER MOD Set 2.2: A 106 LYS NZ :NH3+ -168:sc= 0.00108 (180deg=0) USER MOD Set 3.1: A 80 CYS SG : rot -77:sc= 0.45 USER MOD Set 3.2: A 95 CYS SG : rot 59:sc= 0.839 USER MOD Set 4.1: A 86 CYS SG : rot -88:sc= 0.0271 USER MOD Set 4.2: A 90 LYS NZ :NH3+ 146:sc= -0.709 (180deg=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 18 SER OG : rot -140:sc= -0.863 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= -0.972 (180deg=-2.53!) USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= 0.608 (180deg=0.255) USER MOD Single : A 27 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.27! C(o=-3.3!,f=-6.5!) USER MOD Single : A 44 THR OG1 : rot 4:sc= -0.233 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-4!) USER MOD Single : A 60 ASN : amide:sc= -2.2 K(o=-2.2,f=-2.8) USER MOD Single : A 65 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-1.3) USER MOD Single : A 71 GLN : amide:sc=-0.00963 K(o=-0.0096,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0645 X(o=-0.065,f=-0.19) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -169:sc= 1.04 USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.391 USER MOD Single : A 110 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.966 -2.030 -7.977 1.00 0.00 N ATOM 67 CA PHE A 8 -11.790 -1.566 -7.248 1.00 0.00 C ATOM 68 C PHE A 8 -11.254 -0.271 -7.849 1.00 0.00 C ATOM 69 O PHE A 8 -11.010 -0.186 -9.053 1.00 0.00 O ATOM 70 CB PHE A 8 -10.699 -2.639 -7.263 1.00 0.00 C ATOM 71 CG PHE A 8 -11.190 -3.999 -6.856 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.507 -4.268 -5.534 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.334 -5.008 -7.795 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.958 -5.519 -5.157 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.785 -6.260 -7.423 1.00 0.00 C ATOM 76 CZ PHE A 8 -12.098 -6.516 -6.103 1.00 0.00 C ATOM 0 HA PHE A 8 -12.085 -1.372 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.274 -2.700 -8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.894 -2.337 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.401 -3.492 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.091 -4.814 -8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.201 -5.717 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.893 -7.038 -8.164 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.452 -7.494 -5.811 1.00 0.00 H new ATOM 86 N VAL A 9 -11.073 0.738 -7.002 1.00 0.00 N ATOM 87 CA VAL A 9 -10.565 2.029 -7.448 1.00 0.00 C ATOM 88 C VAL A 9 -9.320 1.862 -8.312 1.00 0.00 C ATOM 89 O VAL A 9 -9.300 2.262 -9.476 1.00 0.00 O ATOM 90 CB VAL A 9 -10.229 2.943 -6.254 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.843 4.333 -6.737 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.403 3.011 -5.289 1.00 0.00 C ATOM 0 H VAL A 9 -11.271 0.685 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.355 2.492 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.376 2.520 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.609 4.964 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.970 4.263 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.673 4.769 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.149 3.661 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.276 3.410 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.627 2.011 -4.917 1.00 0.00 H new ATOM 102 N LYS A 10 -8.281 1.267 -7.735 1.00 0.00 N ATOM 103 CA LYS A 10 -7.031 1.044 -8.451 1.00 0.00 C ATOM 104 C LYS A 10 -6.341 -0.224 -7.959 1.00 0.00 C ATOM 105 O LYS A 10 -6.146 -0.410 -6.758 1.00 0.00 O ATOM 106 CB LYS A 10 -6.099 2.245 -8.278 1.00 0.00 C ATOM 107 CG LYS A 10 -4.702 2.016 -8.829 1.00 0.00 C ATOM 108 CD LYS A 10 -3.826 3.245 -8.659 1.00 0.00 C ATOM 109 CE LYS A 10 -2.354 2.873 -8.571 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.836 2.350 -9.865 1.00 0.00 N ATOM 0 H LYS A 10 -8.281 0.930 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.264 0.922 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.539 3.110 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.027 2.488 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.244 1.168 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.765 1.757 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.981 3.923 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.121 3.782 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.775 3.748 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.215 2.121 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.830 2.108 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.371 1.500 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.945 3.076 -10.601 1.00 0.00 H new ATOM 124 N SER A 11 -5.973 -1.093 -8.895 1.00 0.00 N ATOM 125 CA SER A 11 -5.306 -2.345 -8.556 1.00 0.00 C ATOM 126 C SER A 11 -3.913 -2.403 -9.174 1.00 0.00 C ATOM 127 O SER A 11 -3.731 -2.102 -10.353 1.00 0.00 O ATOM 128 CB SER A 11 -6.139 -3.536 -9.034 1.00 0.00 C ATOM 129 OG SER A 11 -6.391 -3.456 -10.427 1.00 0.00 O ATOM 0 H SER A 11 -6.125 -0.953 -9.894 1.00 0.00 H new ATOM 0 HA SER A 11 -5.205 -2.393 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.614 -4.465 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.084 -3.564 -8.491 1.00 0.00 H new ATOM 0 HG SER A 11 -6.923 -4.229 -10.708 1.00 0.00 H new ATOM 135 N GLY A 12 -2.930 -2.792 -8.367 1.00 0.00 N ATOM 136 CA GLY A 12 -1.565 -2.882 -8.850 1.00 0.00 C ATOM 137 C GLY A 12 -0.665 -3.654 -7.905 1.00 0.00 C ATOM 138 O GLY A 12 -1.102 -4.094 -6.842 1.00 0.00 O ATOM 0 H GLY A 12 -3.055 -3.046 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.560 -3.365 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.165 -1.878 -8.988 1.00 0.00 H new ATOM 142 N TRP A 13 0.594 -3.820 -8.294 1.00 0.00 N ATOM 143 CA TRP A 13 1.557 -4.546 -7.474 1.00 0.00 C ATOM 144 C TRP A 13 2.411 -3.583 -6.656 1.00 0.00 C ATOM 145 O TRP A 13 2.756 -2.496 -7.121 1.00 0.00 O ATOM 146 CB TRP A 13 2.453 -5.419 -8.355 1.00 0.00 C ATOM 147 CG TRP A 13 1.801 -6.700 -8.779 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.188 -6.951 -9.973 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.696 -7.903 -8.011 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.708 -8.239 -9.994 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.008 -8.844 -8.802 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.118 -8.279 -6.733 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.733 -10.134 -8.355 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.845 -9.559 -6.290 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.158 -10.474 -7.099 1.00 0.00 C ATOM 0 H TRP A 13 0.972 -3.462 -9.171 1.00 0.00 H new ATOM 0 HA TRP A 13 1.002 -5.185 -6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.739 -4.854 -9.242 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.371 -5.648 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.094 -6.242 -10.782 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.210 -8.674 -10.771 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.648 -7.581 -6.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.204 -10.841 -8.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.166 -9.859 -5.304 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.960 -11.467 -6.724 1.00 0.00 H new ATOM 166 N LEU A 14 2.749 -3.988 -5.437 1.00 0.00 N ATOM 167 CA LEU A 14 3.563 -3.161 -4.554 1.00 0.00 C ATOM 168 C LEU A 14 4.296 -4.018 -3.527 1.00 0.00 C ATOM 169 O LEU A 14 3.790 -5.054 -3.093 1.00 0.00 O ATOM 170 CB LEU A 14 2.689 -2.127 -3.842 1.00 0.00 C ATOM 171 CG LEU A 14 1.852 -1.221 -4.744 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.904 -0.369 -3.914 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.751 -0.341 -5.600 1.00 0.00 C ATOM 0 H LEU A 14 2.472 -4.885 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 14 4.304 -2.644 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.016 -2.654 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.333 -1.499 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 14 1.257 -1.851 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.316 0.269 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.236 -1.016 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.479 0.251 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.137 0.297 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.373 0.280 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.388 -0.969 -6.223 1.00 0.00 H new ATOM 185 N LEU A 15 5.489 -3.579 -3.141 1.00 0.00 N ATOM 186 CA LEU A 15 6.291 -4.305 -2.162 1.00 0.00 C ATOM 187 C LEU A 15 5.970 -3.843 -0.744 1.00 0.00 C ATOM 188 O LEU A 15 6.100 -2.662 -0.421 1.00 0.00 O ATOM 189 CB LEU A 15 7.781 -4.109 -2.449 1.00 0.00 C ATOM 190 CG LEU A 15 8.239 -4.434 -3.871 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.524 -3.691 -4.201 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.431 -5.935 -4.040 1.00 0.00 C ATOM 0 H LEU A 15 5.922 -2.724 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 15 6.047 -5.364 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.039 -3.072 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.349 -4.729 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 15 7.465 -4.106 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.835 -3.935 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.354 -2.617 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.306 -3.988 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.757 -6.148 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.185 -6.287 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.488 -6.446 -3.847 1.00 0.00 H new ATOM 204 N ARG A 16 5.551 -4.782 0.098 1.00 0.00 N ATOM 205 CA ARG A 16 5.212 -4.472 1.481 1.00 0.00 C ATOM 206 C ARG A 16 6.222 -5.094 2.441 1.00 0.00 C ATOM 207 O ARG A 16 6.480 -6.296 2.391 1.00 0.00 O ATOM 208 CB ARG A 16 3.805 -4.973 1.809 1.00 0.00 C ATOM 209 CG ARG A 16 3.428 -4.817 3.273 1.00 0.00 C ATOM 210 CD ARG A 16 2.038 -5.367 3.552 1.00 0.00 C ATOM 211 NE ARG A 16 1.832 -5.640 4.972 1.00 0.00 N ATOM 212 CZ ARG A 16 2.330 -6.702 5.596 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.058 -7.586 4.928 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.099 -6.882 6.890 1.00 0.00 N ATOM 0 H ARG A 16 5.438 -5.764 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 16 5.241 -3.389 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.084 -4.431 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.730 -6.025 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.157 -5.336 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.466 -3.763 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.290 -4.653 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.890 -6.284 2.981 1.00 0.00 H new ATOM 0 HE ARG A 16 1.275 -4.979 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.237 -7.452 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.439 -8.401 5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.538 -6.205 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.482 -7.698 7.368 1.00 0.00 H new ATOM 228 N GLN A 17 6.789 -4.267 3.313 1.00 0.00 N ATOM 229 CA GLN A 17 7.772 -4.736 4.283 1.00 0.00 C ATOM 230 C GLN A 17 7.096 -5.504 5.414 1.00 0.00 C ATOM 231 O GLN A 17 6.133 -5.025 6.014 1.00 0.00 O ATOM 232 CB GLN A 17 8.562 -3.556 4.852 1.00 0.00 C ATOM 233 CG GLN A 17 9.909 -3.951 5.435 1.00 0.00 C ATOM 234 CD GLN A 17 10.622 -2.788 6.096 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.511 -2.584 7.306 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.360 -2.019 5.305 1.00 0.00 N ATOM 0 H GLN A 17 6.585 -3.269 3.368 1.00 0.00 H new ATOM 0 HA GLN A 17 8.459 -5.410 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.718 -2.820 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.968 -3.071 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.765 -4.747 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.539 -4.356 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.423 -2.225 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.864 -1.222 5.694 1.00 0.00 H new ATOM 245 N SER A 18 7.606 -6.697 5.701 1.00 0.00 N ATOM 246 CA SER A 18 7.049 -7.533 6.757 1.00 0.00 C ATOM 247 C SER A 18 7.754 -7.273 8.085 1.00 0.00 C ATOM 248 O SER A 18 8.873 -6.760 8.118 1.00 0.00 O ATOM 249 CB SER A 18 7.170 -9.012 6.384 1.00 0.00 C ATOM 250 OG SER A 18 8.380 -9.266 5.691 1.00 0.00 O ATOM 0 H SER A 18 8.405 -7.106 5.216 1.00 0.00 H new ATOM 0 HA SER A 18 5.995 -7.279 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.129 -9.622 7.286 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.323 -9.304 5.763 1.00 0.00 H new ATOM 0 HG SER A 18 8.213 -9.902 4.964 1.00 0.00 H new ATOM 256 N THR A 19 7.091 -7.631 9.180 1.00 0.00 N ATOM 257 CA THR A 19 7.652 -7.436 10.511 1.00 0.00 C ATOM 258 C THR A 19 8.230 -8.735 11.060 1.00 0.00 C ATOM 259 O THR A 19 8.656 -8.797 12.214 1.00 0.00 O ATOM 260 CB THR A 19 6.593 -6.903 11.494 1.00 0.00 C ATOM 261 OG1 THR A 19 5.358 -7.604 11.313 1.00 0.00 O ATOM 262 CG2 THR A 19 6.370 -5.412 11.292 1.00 0.00 C ATOM 0 H THR A 19 6.165 -8.058 9.171 1.00 0.00 H new ATOM 0 HA THR A 19 8.450 -6.700 10.413 1.00 0.00 H new ATOM 0 HB THR A 19 6.957 -7.066 12.509 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.691 -7.260 11.943 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.618 -5.058 11.997 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.305 -4.878 11.460 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.027 -5.230 10.274 1.00 0.00 H new ATOM 270 N ILE A 20 8.242 -9.771 10.227 1.00 0.00 N ATOM 271 CA ILE A 20 8.769 -11.069 10.630 1.00 0.00 C ATOM 272 C ILE A 20 9.951 -11.476 9.757 1.00 0.00 C ATOM 273 O ILE A 20 10.825 -12.229 10.188 1.00 0.00 O ATOM 274 CB ILE A 20 7.689 -12.163 10.556 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.646 -11.956 11.656 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.322 -13.541 10.672 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.415 -12.820 11.492 1.00 0.00 C ATOM 0 H ILE A 20 7.893 -9.736 9.269 1.00 0.00 H new ATOM 0 HA ILE A 20 9.101 -10.968 11.663 1.00 0.00 H new ATOM 0 HB ILE A 20 7.189 -12.094 9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.103 -12.168 12.623 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.346 -10.908 11.668 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.545 -14.304 10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.030 -13.686 9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.845 -13.622 11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.719 -12.620 12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.935 -12.592 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.703 -13.871 11.510 1.00 0.00 H new ATOM 289 N LEU A 21 9.972 -10.974 8.527 1.00 0.00 N ATOM 290 CA LEU A 21 11.048 -11.284 7.592 1.00 0.00 C ATOM 291 C LEU A 21 11.932 -10.064 7.355 1.00 0.00 C ATOM 292 O LEU A 21 12.958 -10.149 6.679 1.00 0.00 O ATOM 293 CB LEU A 21 10.470 -11.775 6.264 1.00 0.00 C ATOM 294 CG LEU A 21 9.789 -13.144 6.293 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.836 -13.292 5.117 1.00 0.00 C ATOM 296 CD2 LEU A 21 10.827 -14.256 6.284 1.00 0.00 C ATOM 0 H LEU A 21 9.256 -10.351 8.154 1.00 0.00 H new ATOM 0 HA LEU A 21 11.660 -12.073 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.747 -11.039 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.275 -11.808 5.530 1.00 0.00 H new ATOM 0 HG LEU A 21 9.211 -13.221 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.361 -14.272 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.072 -12.516 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.391 -13.194 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.324 -15.223 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.433 -14.181 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.469 -14.162 7.160 1.00 0.00 H new ATOM 308 N LYS A 22 11.529 -8.930 7.917 1.00 0.00 N ATOM 309 CA LYS A 22 12.285 -7.692 7.771 1.00 0.00 C ATOM 310 C LYS A 22 12.797 -7.533 6.343 1.00 0.00 C ATOM 311 O LYS A 22 13.960 -7.190 6.125 1.00 0.00 O ATOM 312 CB LYS A 22 13.460 -7.669 8.751 1.00 0.00 C ATOM 313 CG LYS A 22 13.115 -7.063 10.100 1.00 0.00 C ATOM 314 CD LYS A 22 12.878 -5.566 9.995 1.00 0.00 C ATOM 315 CE LYS A 22 12.971 -4.890 11.355 1.00 0.00 C ATOM 316 NZ LYS A 22 14.383 -4.616 11.743 1.00 0.00 N ATOM 0 H LYS A 22 10.682 -8.843 8.479 1.00 0.00 H new ATOM 0 HA LYS A 22 11.618 -6.859 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.817 -8.688 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.281 -7.105 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.223 -7.546 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.925 -7.256 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.611 -5.127 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.895 -5.382 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.412 -3.955 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.504 -5.524 12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.404 -4.155 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.911 -5.511 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.822 -3.990 11.038 1.00 0.00 H new ATOM 330 N ARG A 23 11.922 -7.782 5.374 1.00 0.00 N ATOM 331 CA ARG A 23 12.287 -7.665 3.967 1.00 0.00 C ATOM 332 C ARG A 23 11.078 -7.270 3.124 1.00 0.00 C ATOM 333 O ARG A 23 9.934 -7.406 3.558 1.00 0.00 O ATOM 334 CB ARG A 23 12.868 -8.986 3.458 1.00 0.00 C ATOM 335 CG ARG A 23 11.811 -10.010 3.078 1.00 0.00 C ATOM 336 CD ARG A 23 12.418 -11.390 2.882 1.00 0.00 C ATOM 337 NE ARG A 23 12.974 -11.558 1.542 1.00 0.00 N ATOM 338 CZ ARG A 23 14.196 -11.168 1.199 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.987 -10.591 2.093 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.630 -11.355 -0.041 1.00 0.00 N ATOM 0 H ARG A 23 10.956 -8.066 5.537 1.00 0.00 H new ATOM 0 HA ARG A 23 13.043 -6.885 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.497 -8.786 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.513 -9.410 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.049 -10.054 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.313 -9.697 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.202 -11.550 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.656 -12.149 3.056 1.00 0.00 H new ATOM 0 HE ARG A 23 12.391 -11.999 0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.657 -10.446 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.925 -10.292 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.025 -11.799 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.569 -11.055 -0.303 1.00 0.00 H new ATOM 354 N TRP A 24 11.340 -6.781 1.917 1.00 0.00 N ATOM 355 CA TRP A 24 10.274 -6.365 1.013 1.00 0.00 C ATOM 356 C TRP A 24 9.718 -7.558 0.243 1.00 0.00 C ATOM 357 O TRP A 24 10.469 -8.329 -0.355 1.00 0.00 O ATOM 358 CB TRP A 24 10.789 -5.307 0.036 1.00 0.00 C ATOM 359 CG TRP A 24 11.204 -4.032 0.706 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.452 -3.712 1.158 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.368 -2.908 1.002 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.443 -2.456 1.716 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.176 -1.942 1.632 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.016 -2.623 0.794 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.675 -0.714 2.056 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.520 -1.404 1.215 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.347 -0.461 1.840 1.00 0.00 C ATOM 0 H TRP A 24 12.281 -6.663 1.542 1.00 0.00 H new ATOM 0 HA TRP A 24 9.471 -5.936 1.612 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.638 -5.713 -0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.011 -5.088 -0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.319 -4.352 1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.249 -1.983 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.370 -3.343 0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.311 0.013 2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.476 -1.174 1.060 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.929 0.483 2.157 1.00 0.00 H new ATOM 378 N LYS A 25 8.397 -7.705 0.261 1.00 0.00 N ATOM 379 CA LYS A 25 7.740 -8.803 -0.437 1.00 0.00 C ATOM 380 C LYS A 25 6.649 -8.281 -1.367 1.00 0.00 C ATOM 381 O LYS A 25 5.870 -7.402 -0.996 1.00 0.00 O ATOM 382 CB LYS A 25 7.139 -9.787 0.569 1.00 0.00 C ATOM 383 CG LYS A 25 5.895 -9.263 1.264 1.00 0.00 C ATOM 384 CD LYS A 25 5.266 -10.321 2.155 1.00 0.00 C ATOM 385 CE LYS A 25 5.032 -11.619 1.399 1.00 0.00 C ATOM 386 NZ LYS A 25 6.221 -12.515 1.452 1.00 0.00 N ATOM 0 H LYS A 25 7.761 -7.077 0.752 1.00 0.00 H new ATOM 0 HA LYS A 25 8.489 -9.319 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.893 -10.715 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.890 -10.029 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.152 -8.389 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.170 -8.937 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.914 -10.509 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.319 -9.951 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.170 -12.135 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.792 -11.395 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.571 -12.684 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.969 -12.066 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.954 -13.421 1.887 1.00 0.00 H new ATOM 400 N LYS A 26 6.596 -8.828 -2.576 1.00 0.00 N ATOM 401 CA LYS A 26 5.599 -8.421 -3.559 1.00 0.00 C ATOM 402 C LYS A 26 4.203 -8.865 -3.134 1.00 0.00 C ATOM 403 O LYS A 26 4.000 -10.014 -2.744 1.00 0.00 O ATOM 404 CB LYS A 26 5.937 -9.007 -4.932 1.00 0.00 C ATOM 405 CG LYS A 26 5.471 -8.144 -6.092 1.00 0.00 C ATOM 406 CD LYS A 26 6.346 -8.341 -7.319 1.00 0.00 C ATOM 407 CE LYS A 26 6.006 -7.340 -8.413 1.00 0.00 C ATOM 408 NZ LYS A 26 4.939 -7.850 -9.319 1.00 0.00 N ATOM 0 H LYS A 26 7.233 -9.556 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 26 5.611 -7.333 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.016 -9.145 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.483 -9.994 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.438 -8.389 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.488 -7.095 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.394 -8.235 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.218 -9.355 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.681 -6.403 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.901 -7.119 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.051 -7.424 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.013 -8.885 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.007 -7.597 -8.934 1.00 0.00 H new ATOM 422 N ASN A 27 3.245 -7.948 -3.214 1.00 0.00 N ATOM 423 CA ASN A 27 1.868 -8.247 -2.838 1.00 0.00 C ATOM 424 C ASN A 27 0.887 -7.609 -3.817 1.00 0.00 C ATOM 425 O ASN A 27 1.259 -6.746 -4.611 1.00 0.00 O ATOM 426 CB ASN A 27 1.585 -7.749 -1.419 1.00 0.00 C ATOM 427 CG ASN A 27 2.422 -8.466 -0.378 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.095 -7.834 0.437 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.385 -9.793 -0.400 1.00 0.00 N ATOM 0 H ASN A 27 3.396 -6.992 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 27 1.735 -9.328 -2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.783 -6.678 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.528 -7.889 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.928 -10.330 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.813 -10.276 -1.093 1.00 0.00 H new ATOM 436 N TRP A 28 -0.368 -8.041 -3.754 1.00 0.00 N ATOM 437 CA TRP A 28 -1.403 -7.512 -4.635 1.00 0.00 C ATOM 438 C TRP A 28 -2.415 -6.685 -3.850 1.00 0.00 C ATOM 439 O TRP A 28 -3.198 -7.224 -3.067 1.00 0.00 O ATOM 440 CB TRP A 28 -2.114 -8.654 -5.363 1.00 0.00 C ATOM 441 CG TRP A 28 -3.083 -8.182 -6.404 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.420 -8.455 -6.463 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.790 -7.356 -7.537 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.976 -7.849 -7.564 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.997 -7.168 -8.238 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.627 -6.756 -8.025 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.070 -6.406 -9.401 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.701 -6.001 -9.179 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.916 -5.830 -9.857 1.00 0.00 C ATOM 0 H TRP A 28 -0.693 -8.755 -3.103 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.924 -6.864 -5.370 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.369 -9.295 -5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.645 -9.266 -4.634 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.961 -9.059 -5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.958 -7.898 -7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.686 -6.880 -7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.005 -6.274 -9.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.807 -5.534 -9.566 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.941 -5.232 -10.756 1.00 0.00 H new ATOM 460 N PHE A 29 -2.395 -5.374 -4.064 1.00 0.00 N ATOM 461 CA PHE A 29 -3.312 -4.473 -3.375 1.00 0.00 C ATOM 462 C PHE A 29 -4.503 -4.126 -4.263 1.00 0.00 C ATOM 463 O PHE A 29 -4.421 -4.203 -5.489 1.00 0.00 O ATOM 464 CB PHE A 29 -2.584 -3.194 -2.956 1.00 0.00 C ATOM 465 CG PHE A 29 -1.618 -3.397 -1.824 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.339 -3.872 -2.065 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.989 -3.113 -0.520 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.553 -4.060 -1.025 1.00 0.00 C ATOM 469 CE2 PHE A 29 -1.102 -3.299 0.523 1.00 0.00 C ATOM 470 CZ PHE A 29 0.170 -3.774 0.270 1.00 0.00 C ATOM 0 H PHE A 29 -1.754 -4.912 -4.709 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.681 -4.981 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.046 -2.794 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.321 -2.445 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.035 -4.098 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.983 -2.742 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.548 -4.430 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.403 -3.073 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.864 -3.921 1.084 1.00 0.00 H new ATOM 480 N ASP A 30 -5.610 -3.745 -3.635 1.00 0.00 N ATOM 481 CA ASP A 30 -6.819 -3.385 -4.367 1.00 0.00 C ATOM 482 C ASP A 30 -7.734 -2.514 -3.511 1.00 0.00 C ATOM 483 O ASP A 30 -8.284 -2.971 -2.508 1.00 0.00 O ATOM 484 CB ASP A 30 -7.564 -4.644 -4.813 1.00 0.00 C ATOM 485 CG ASP A 30 -6.763 -5.474 -5.796 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.637 -5.050 -6.964 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.261 -6.546 -5.398 1.00 0.00 O ATOM 0 H ASP A 30 -5.695 -3.677 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.525 -2.815 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.802 -5.251 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.511 -4.359 -5.270 1.00 0.00 H new ATOM 492 N LEU A 31 -7.891 -1.258 -3.912 1.00 0.00 N ATOM 493 CA LEU A 31 -8.738 -0.321 -3.182 1.00 0.00 C ATOM 494 C LEU A 31 -10.179 -0.393 -3.674 1.00 0.00 C ATOM 495 O LEU A 31 -10.431 -0.505 -4.874 1.00 0.00 O ATOM 496 CB LEU A 31 -8.205 1.105 -3.334 1.00 0.00 C ATOM 497 CG LEU A 31 -8.766 2.138 -2.356 1.00 0.00 C ATOM 498 CD1 LEU A 31 -8.054 2.046 -1.015 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.640 3.541 -2.934 1.00 0.00 C ATOM 0 H LEU A 31 -7.443 -0.864 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.719 -0.598 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.121 1.080 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.414 1.444 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.823 1.924 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.467 2.789 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.195 1.050 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.989 2.234 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.044 4.264 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.590 3.764 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.196 3.600 -3.870 1.00 0.00 H new ATOM 511 N TRP A 32 -11.122 -0.325 -2.741 1.00 0.00 N ATOM 512 CA TRP A 32 -12.539 -0.380 -3.081 1.00 0.00 C ATOM 513 C TRP A 32 -13.107 1.021 -3.277 1.00 0.00 C ATOM 514 O TRP A 32 -12.585 1.994 -2.732 1.00 0.00 O ATOM 515 CB TRP A 32 -13.319 -1.111 -1.987 1.00 0.00 C ATOM 516 CG TRP A 32 -12.951 -2.558 -1.860 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.693 -3.089 -1.885 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.850 -3.660 -1.691 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.755 -4.454 -1.742 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.067 -4.829 -1.620 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.239 -3.772 -1.591 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.630 -6.092 -1.455 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.796 -5.026 -1.427 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.992 -6.172 -1.360 1.00 0.00 C ATOM 0 H TRP A 32 -10.931 -0.232 -1.743 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.641 -0.927 -4.018 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.144 -0.614 -1.033 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.386 -1.032 -2.197 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.783 -2.519 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.954 -5.086 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.866 -2.894 -1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.013 -6.977 -1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.869 -5.125 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.457 -7.138 -1.231 1.00 0.00 H new ATOM 535 N SER A 33 -14.178 1.117 -4.058 1.00 0.00 N ATOM 536 CA SER A 33 -14.814 2.402 -4.329 1.00 0.00 C ATOM 537 C SER A 33 -15.186 3.108 -3.029 1.00 0.00 C ATOM 538 O SER A 33 -15.180 4.337 -2.954 1.00 0.00 O ATOM 539 CB SER A 33 -16.062 2.205 -5.191 1.00 0.00 C ATOM 540 OG SER A 33 -16.552 3.445 -5.670 1.00 0.00 O ATOM 0 H SER A 33 -14.624 0.321 -4.514 1.00 0.00 H new ATOM 0 HA SER A 33 -14.102 3.025 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.827 1.554 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.836 1.706 -4.608 1.00 0.00 H new ATOM 0 HG SER A 33 -17.349 3.292 -6.219 1.00 0.00 H new ATOM 546 N ASP A 34 -15.509 2.323 -2.008 1.00 0.00 N ATOM 547 CA ASP A 34 -15.883 2.872 -0.709 1.00 0.00 C ATOM 548 C ASP A 34 -14.662 3.422 0.020 1.00 0.00 C ATOM 549 O ASP A 34 -14.781 4.291 0.882 1.00 0.00 O ATOM 550 CB ASP A 34 -16.563 1.800 0.144 1.00 0.00 C ATOM 551 CG ASP A 34 -17.431 2.395 1.237 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.064 3.442 0.988 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.477 1.812 2.340 1.00 0.00 O ATOM 0 H ASP A 34 -15.520 1.304 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.583 3.691 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.175 1.164 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.803 1.162 0.594 1.00 0.00 H new ATOM 558 N GLY A 35 -13.487 2.907 -0.331 1.00 0.00 N ATOM 559 CA GLY A 35 -12.261 3.358 0.301 1.00 0.00 C ATOM 560 C GLY A 35 -11.498 2.225 0.960 1.00 0.00 C ATOM 561 O GLY A 35 -10.279 2.297 1.116 1.00 0.00 O ATOM 0 H GLY A 35 -13.363 2.186 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.625 3.835 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.498 4.115 1.048 1.00 0.00 H new ATOM 565 N HIS A 36 -12.217 1.177 1.350 1.00 0.00 N ATOM 566 CA HIS A 36 -11.600 0.025 1.997 1.00 0.00 C ATOM 567 C HIS A 36 -10.436 -0.506 1.166 1.00 0.00 C ATOM 568 O HIS A 36 -10.505 -0.549 -0.063 1.00 0.00 O ATOM 569 CB HIS A 36 -12.635 -1.080 2.211 1.00 0.00 C ATOM 570 CG HIS A 36 -13.344 -0.989 3.527 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.612 -0.463 3.664 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.958 -1.363 4.769 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.973 -0.516 4.933 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.987 -1.058 5.625 1.00 0.00 N ATOM 0 H HIS A 36 -13.227 1.102 1.229 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.215 0.345 2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.370 -1.038 1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.140 -2.049 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.015 -1.817 5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.915 -0.174 5.337 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.990 -1.223 6.632 1.00 0.00 H new ATOM 583 N LEU A 37 -9.367 -0.908 1.844 1.00 0.00 N ATOM 584 CA LEU A 37 -8.186 -1.436 1.169 1.00 0.00 C ATOM 585 C LEU A 37 -7.924 -2.881 1.580 1.00 0.00 C ATOM 586 O LEU A 37 -7.894 -3.203 2.768 1.00 0.00 O ATOM 587 CB LEU A 37 -6.964 -0.573 1.487 1.00 0.00 C ATOM 588 CG LEU A 37 -5.636 -1.047 0.897 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.625 -0.860 -0.612 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.472 -0.304 1.537 1.00 0.00 C ATOM 0 H LEU A 37 -9.293 -0.879 2.861 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.370 -1.412 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.156 0.439 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.857 -0.515 2.570 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.524 -2.110 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.672 -1.203 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.435 -1.438 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.760 0.195 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.535 -0.655 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.578 0.765 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.468 -0.490 2.611 1.00 0.00 H new ATOM 602 N ILE A 38 -7.733 -3.747 0.590 1.00 0.00 N ATOM 603 CA ILE A 38 -7.470 -5.157 0.849 1.00 0.00 C ATOM 604 C ILE A 38 -6.380 -5.691 -0.074 1.00 0.00 C ATOM 605 O ILE A 38 -6.439 -5.511 -1.291 1.00 0.00 O ATOM 606 CB ILE A 38 -8.740 -6.008 0.672 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.854 -5.500 1.590 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.440 -7.473 0.955 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.228 -6.003 1.209 1.00 0.00 C ATOM 0 H ILE A 38 -7.756 -3.497 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.135 -5.231 1.884 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.077 -5.919 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.636 -5.803 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.858 -4.410 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.348 -8.062 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.676 -7.828 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.081 -7.580 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.967 -5.603 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.467 -5.677 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.242 -7.092 1.253 1.00 0.00 H new ATOM 621 N TYR A 39 -5.387 -6.351 0.512 1.00 0.00 N ATOM 622 CA TYR A 39 -4.283 -6.912 -0.258 1.00 0.00 C ATOM 623 C TYR A 39 -4.260 -8.433 -0.148 1.00 0.00 C ATOM 624 O TYR A 39 -4.778 -9.006 0.811 1.00 0.00 O ATOM 625 CB TYR A 39 -2.952 -6.334 0.226 1.00 0.00 C ATOM 626 CG TYR A 39 -2.949 -5.964 1.692 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.758 -4.942 2.172 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.137 -6.637 2.597 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.758 -4.599 3.510 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.132 -6.303 3.937 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.944 -5.283 4.389 1.00 0.00 C ATOM 632 OH TYR A 39 -2.942 -4.946 5.723 1.00 0.00 O ATOM 0 H TYR A 39 -5.324 -6.511 1.517 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.429 -6.644 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.161 -7.062 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.714 -5.449 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.398 -4.406 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.499 -7.435 2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.392 -3.800 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.496 -6.837 4.627 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.315 -5.524 6.206 1.00 0.00 H new ATOM 642 N TYR A 40 -3.656 -9.082 -1.137 1.00 0.00 N ATOM 643 CA TYR A 40 -3.566 -10.537 -1.154 1.00 0.00 C ATOM 644 C TYR A 40 -2.113 -10.992 -1.253 1.00 0.00 C ATOM 645 O TYR A 40 -1.208 -10.180 -1.447 1.00 0.00 O ATOM 646 CB TYR A 40 -4.371 -11.105 -2.324 1.00 0.00 C ATOM 647 CG TYR A 40 -5.813 -10.650 -2.345 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.159 -9.395 -2.829 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.829 -11.477 -1.880 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.475 -8.975 -2.848 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.148 -11.066 -1.897 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.466 -9.814 -2.382 1.00 0.00 C ATOM 653 OH TYR A 40 -9.778 -9.401 -2.401 1.00 0.00 O ATOM 0 H TYR A 40 -3.221 -8.623 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.982 -10.912 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.893 -10.812 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.343 -12.194 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.386 -8.736 -3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.583 -12.457 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.727 -7.995 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.926 -11.721 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.349 -10.110 -2.039 1.00 0.00 H new ATOM 663 N ASP A 41 -1.898 -12.296 -1.121 1.00 0.00 N ATOM 664 CA ASP A 41 -0.556 -12.862 -1.197 1.00 0.00 C ATOM 665 C ASP A 41 -0.065 -12.902 -2.641 1.00 0.00 C ATOM 666 O ASP A 41 1.126 -12.735 -2.906 1.00 0.00 O ATOM 667 CB ASP A 41 -0.538 -14.270 -0.600 1.00 0.00 C ATOM 668 CG ASP A 41 0.855 -14.709 -0.195 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.567 -15.281 -1.046 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.233 -14.482 0.974 1.00 0.00 O ATOM 0 H ASP A 41 -2.636 -12.982 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 41 0.114 -12.224 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.193 -14.301 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.941 -14.975 -1.327 1.00 0.00 H new ATOM 675 N ASP A 42 -0.989 -13.126 -3.568 1.00 0.00 N ATOM 676 CA ASP A 42 -0.650 -13.188 -4.986 1.00 0.00 C ATOM 677 C ASP A 42 -1.849 -12.809 -5.848 1.00 0.00 C ATOM 678 O ASP A 42 -2.932 -12.530 -5.334 1.00 0.00 O ATOM 679 CB ASP A 42 -0.163 -14.591 -5.354 1.00 0.00 C ATOM 680 CG ASP A 42 -0.927 -15.678 -4.625 1.00 0.00 C ATOM 681 OD1 ASP A 42 -2.004 -15.376 -4.070 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.448 -16.832 -4.609 1.00 0.00 O ATOM 0 H ASP A 42 -1.978 -13.268 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 42 0.150 -12.473 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.265 -14.738 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.898 -14.677 -5.120 1.00 0.00 H new ATOM 687 N GLN A 43 -1.647 -12.799 -7.162 1.00 0.00 N ATOM 688 CA GLN A 43 -2.712 -12.452 -8.096 1.00 0.00 C ATOM 689 C GLN A 43 -3.923 -13.360 -7.902 1.00 0.00 C ATOM 690 O GLN A 43 -5.066 -12.933 -8.072 1.00 0.00 O ATOM 691 CB GLN A 43 -2.209 -12.553 -9.537 1.00 0.00 C ATOM 692 CG GLN A 43 -1.821 -13.964 -9.948 1.00 0.00 C ATOM 693 CD GLN A 43 -3.010 -14.784 -10.411 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.148 -14.314 -10.394 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.751 -16.018 -10.827 1.00 0.00 N ATOM 0 H GLN A 43 -0.756 -13.027 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.016 -11.424 -7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.984 -12.188 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.346 -11.898 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.084 -13.915 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.344 -14.466 -9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.792 -16.367 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.511 -16.617 -11.150 1.00 0.00 H new ATOM 704 N THR A 44 -3.665 -14.615 -7.547 1.00 0.00 N ATOM 705 CA THR A 44 -4.732 -15.583 -7.333 1.00 0.00 C ATOM 706 C THR A 44 -5.717 -15.091 -6.277 1.00 0.00 C ATOM 707 O THR A 44 -6.854 -15.558 -6.211 1.00 0.00 O ATOM 708 CB THR A 44 -4.172 -16.950 -6.898 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.345 -16.795 -5.739 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.366 -17.586 -8.021 1.00 0.00 C ATOM 0 H THR A 44 -2.725 -14.984 -7.402 1.00 0.00 H new ATOM 0 HA THR A 44 -5.250 -15.697 -8.285 1.00 0.00 H new ATOM 0 HB THR A 44 -5.012 -17.603 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.369 -15.861 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.980 -18.551 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.006 -17.730 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.534 -16.934 -8.286 1.00 0.00 H new ATOM 718 N ARG A 45 -5.272 -14.147 -5.455 1.00 0.00 N ATOM 719 CA ARG A 45 -6.114 -13.593 -4.402 1.00 0.00 C ATOM 720 C ARG A 45 -6.842 -14.702 -3.648 1.00 0.00 C ATOM 721 O ARG A 45 -8.016 -14.563 -3.303 1.00 0.00 O ATOM 722 CB ARG A 45 -7.129 -12.613 -4.994 1.00 0.00 C ATOM 723 CG ARG A 45 -6.502 -11.334 -5.525 1.00 0.00 C ATOM 724 CD ARG A 45 -7.560 -10.358 -6.016 1.00 0.00 C ATOM 725 NE ARG A 45 -7.872 -10.553 -7.429 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.710 -9.780 -8.111 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.317 -8.765 -7.511 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.942 -10.021 -9.395 1.00 0.00 N ATOM 0 H ARG A 45 -4.333 -13.750 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.472 -13.061 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.669 -13.106 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.863 -12.358 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.909 -10.865 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.819 -11.573 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.467 -10.480 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.212 -9.337 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.422 -11.326 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.141 -8.577 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.960 -8.173 -8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.477 -10.801 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.586 -9.427 -9.917 1.00 0.00 H new ATOM 742 N GLN A 46 -6.138 -15.800 -3.396 1.00 0.00 N ATOM 743 CA GLN A 46 -6.718 -16.932 -2.683 1.00 0.00 C ATOM 744 C GLN A 46 -6.292 -16.931 -1.219 1.00 0.00 C ATOM 745 O GLN A 46 -6.887 -17.617 -0.389 1.00 0.00 O ATOM 746 CB GLN A 46 -6.301 -18.246 -3.347 1.00 0.00 C ATOM 747 CG GLN A 46 -7.057 -18.546 -4.632 1.00 0.00 C ATOM 748 CD GLN A 46 -7.214 -20.032 -4.884 1.00 0.00 C ATOM 749 OE1 GLN A 46 -8.057 -20.691 -4.274 1.00 0.00 O ATOM 750 NE2 GLN A 46 -6.400 -20.569 -5.786 1.00 0.00 N ATOM 0 H GLN A 46 -5.165 -15.930 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.803 -16.839 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.233 -18.211 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.457 -19.064 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.043 -18.083 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.531 -18.093 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.716 -19.985 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.459 -21.565 -5.997 1.00 0.00 H new ATOM 759 N SER A 47 -5.258 -16.155 -0.910 1.00 0.00 N ATOM 760 CA SER A 47 -4.749 -16.067 0.454 1.00 0.00 C ATOM 761 C SER A 47 -4.712 -14.618 0.928 1.00 0.00 C ATOM 762 O SER A 47 -3.656 -13.985 0.944 1.00 0.00 O ATOM 763 CB SER A 47 -3.349 -16.679 0.539 1.00 0.00 C ATOM 764 OG SER A 47 -3.098 -17.200 1.833 1.00 0.00 O ATOM 0 H SER A 47 -4.756 -15.578 -1.585 1.00 0.00 H new ATOM 0 HA SER A 47 -5.423 -16.626 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.250 -17.473 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.603 -15.922 0.297 1.00 0.00 H new ATOM 0 HG SER A 47 -2.198 -17.587 1.861 1.00 0.00 H new ATOM 770 N ILE A 48 -5.873 -14.098 1.313 1.00 0.00 N ATOM 771 CA ILE A 48 -5.974 -12.724 1.788 1.00 0.00 C ATOM 772 C ILE A 48 -4.899 -12.421 2.826 1.00 0.00 C ATOM 773 O ILE A 48 -4.828 -13.071 3.869 1.00 0.00 O ATOM 774 CB ILE A 48 -7.358 -12.441 2.402 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.449 -12.568 1.336 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.385 -11.057 3.033 1.00 0.00 C ATOM 777 CD1 ILE A 48 -9.788 -12.999 1.890 1.00 0.00 C ATOM 0 H ILE A 48 -6.756 -14.608 1.305 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.831 -12.079 0.921 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.551 -13.178 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.566 -11.609 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.128 -13.288 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.370 -10.872 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.630 -11.000 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.174 -10.306 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.512 -13.068 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.687 -13.972 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.131 -12.268 2.622 1.00 0.00 H new ATOM 789 N GLU A 49 -4.065 -11.428 2.533 1.00 0.00 N ATOM 790 CA GLU A 49 -2.993 -11.038 3.442 1.00 0.00 C ATOM 791 C GLU A 49 -3.554 -10.326 4.670 1.00 0.00 C ATOM 792 O GLU A 49 -3.310 -10.736 5.804 1.00 0.00 O ATOM 793 CB GLU A 49 -1.991 -10.130 2.725 1.00 0.00 C ATOM 794 CG GLU A 49 -0.878 -10.888 2.022 1.00 0.00 C ATOM 795 CD GLU A 49 -0.097 -11.784 2.963 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.853 -11.286 3.603 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.435 -12.982 3.061 1.00 0.00 O ATOM 0 H GLU A 49 -4.111 -10.879 1.674 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.482 -11.943 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.523 -9.522 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.551 -9.445 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.305 -11.492 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.197 -10.176 1.556 1.00 0.00 H new ATOM 804 N ASP A 50 -4.305 -9.256 4.434 1.00 0.00 N ATOM 805 CA ASP A 50 -4.901 -8.486 5.520 1.00 0.00 C ATOM 806 C ASP A 50 -5.828 -7.404 4.973 1.00 0.00 C ATOM 807 O ASP A 50 -5.735 -7.022 3.807 1.00 0.00 O ATOM 808 CB ASP A 50 -3.810 -7.852 6.383 1.00 0.00 C ATOM 809 CG ASP A 50 -3.343 -8.771 7.494 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.123 -8.998 8.443 1.00 0.00 O ATOM 811 OD2 ASP A 50 -2.198 -9.264 7.416 1.00 0.00 O ATOM 0 H ASP A 50 -4.516 -8.902 3.501 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.489 -9.167 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.961 -7.588 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.186 -6.925 6.816 1.00 0.00 H new ATOM 816 N LYS A 51 -6.723 -6.914 5.824 1.00 0.00 N ATOM 817 CA LYS A 51 -7.667 -5.876 5.429 1.00 0.00 C ATOM 818 C LYS A 51 -7.549 -4.657 6.339 1.00 0.00 C ATOM 819 O LYS A 51 -7.418 -4.789 7.556 1.00 0.00 O ATOM 820 CB LYS A 51 -9.098 -6.418 5.467 1.00 0.00 C ATOM 821 CG LYS A 51 -10.145 -5.351 5.739 1.00 0.00 C ATOM 822 CD LYS A 51 -11.547 -5.937 5.754 1.00 0.00 C ATOM 823 CE LYS A 51 -12.053 -6.209 4.345 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.511 -6.508 4.328 1.00 0.00 N ATOM 0 H LYS A 51 -6.814 -7.220 6.793 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.427 -5.571 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.321 -6.899 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.166 -7.187 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.939 -4.873 6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.082 -4.575 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.549 -6.864 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.225 -5.248 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.852 -5.343 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.505 -7.049 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.817 -6.688 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.700 -7.349 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.036 -5.697 4.712 1.00 0.00 H new ATOM 838 N VAL A 52 -7.598 -3.471 5.741 1.00 0.00 N ATOM 839 CA VAL A 52 -7.499 -2.229 6.498 1.00 0.00 C ATOM 840 C VAL A 52 -8.204 -1.087 5.775 1.00 0.00 C ATOM 841 O VAL A 52 -8.278 -1.067 4.546 1.00 0.00 O ATOM 842 CB VAL A 52 -6.030 -1.837 6.743 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.926 -0.369 7.128 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.414 -2.722 7.817 1.00 0.00 C ATOM 0 H VAL A 52 -7.706 -3.344 4.735 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.986 -2.403 7.457 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.474 -1.986 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.881 -0.110 7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.327 0.247 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.496 -0.191 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.376 -2.431 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.971 -2.607 8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.454 -3.763 7.497 1.00 0.00 H new ATOM 854 N HIS A 53 -8.722 -0.136 6.546 1.00 0.00 N ATOM 855 CA HIS A 53 -9.422 1.011 5.979 1.00 0.00 C ATOM 856 C HIS A 53 -8.468 2.185 5.779 1.00 0.00 C ATOM 857 O HIS A 53 -7.358 2.193 6.312 1.00 0.00 O ATOM 858 CB HIS A 53 -10.580 1.429 6.886 1.00 0.00 C ATOM 859 CG HIS A 53 -11.770 1.945 6.139 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.957 2.283 6.754 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.953 2.181 4.818 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.818 2.704 5.845 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.233 2.652 4.662 1.00 0.00 N ATOM 0 H HIS A 53 -8.670 -0.137 7.565 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.819 0.718 5.007 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.884 0.574 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.232 2.199 7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.227 2.027 4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.828 3.034 6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.663 2.919 3.776 1.00 0.00 H new ATOM 872 N MET A 54 -8.907 3.174 5.008 1.00 0.00 N ATOM 873 CA MET A 54 -8.092 4.353 4.739 1.00 0.00 C ATOM 874 C MET A 54 -8.531 5.528 5.607 1.00 0.00 C ATOM 875 O MET A 54 -7.826 5.951 6.523 1.00 0.00 O ATOM 876 CB MET A 54 -8.182 4.735 3.260 1.00 0.00 C ATOM 877 CG MET A 54 -7.051 4.168 2.417 1.00 0.00 C ATOM 878 SD MET A 54 -5.423 4.640 3.031 1.00 0.00 S ATOM 879 CE MET A 54 -5.577 6.424 3.063 1.00 0.00 C ATOM 0 H MET A 54 -9.823 3.183 4.558 1.00 0.00 H new ATOM 0 HA MET A 54 -7.057 4.111 4.982 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.133 4.385 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.180 5.822 3.173 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.127 3.081 2.398 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.161 4.513 1.389 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.590 6.872 3.178 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.025 6.767 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.210 6.720 3.900 1.00 0.00 H new ATOM 889 N PRO A 55 -9.724 6.068 5.315 1.00 0.00 N ATOM 890 CA PRO A 55 -10.283 7.201 6.058 1.00 0.00 C ATOM 891 C PRO A 55 -10.695 6.818 7.475 1.00 0.00 C ATOM 892 O PRO A 55 -11.246 7.634 8.214 1.00 0.00 O ATOM 893 CB PRO A 55 -11.511 7.594 5.232 1.00 0.00 C ATOM 894 CG PRO A 55 -11.900 6.349 4.514 1.00 0.00 C ATOM 895 CD PRO A 55 -10.618 5.613 4.236 1.00 0.00 C ATOM 0 HA PRO A 55 -9.558 8.006 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.319 7.952 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.277 8.397 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.574 5.744 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.426 6.581 3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.761 4.533 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.218 5.859 3.252 1.00 0.00 H new ATOM 903 N VAL A 56 -10.422 5.572 7.850 1.00 0.00 N ATOM 904 CA VAL A 56 -10.763 5.082 9.180 1.00 0.00 C ATOM 905 C VAL A 56 -9.529 4.556 9.904 1.00 0.00 C ATOM 906 O VAL A 56 -9.267 4.922 11.051 1.00 0.00 O ATOM 907 CB VAL A 56 -11.820 3.964 9.112 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.707 3.048 10.322 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.217 4.557 9.011 1.00 0.00 C ATOM 0 H VAL A 56 -9.966 4.884 7.251 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.173 5.927 9.733 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.637 3.369 8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.462 2.264 10.257 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.715 2.596 10.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.863 3.627 11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.951 3.753 8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.413 5.177 9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.289 5.167 8.111 1.00 0.00 H new ATOM 919 N ASP A 57 -8.774 3.698 9.228 1.00 0.00 N ATOM 920 CA ASP A 57 -7.565 3.123 9.807 1.00 0.00 C ATOM 921 C ASP A 57 -6.361 4.025 9.558 1.00 0.00 C ATOM 922 O ASP A 57 -5.612 4.346 10.482 1.00 0.00 O ATOM 923 CB ASP A 57 -7.306 1.733 9.223 1.00 0.00 C ATOM 924 CG ASP A 57 -6.630 0.805 10.213 1.00 0.00 C ATOM 925 OD1 ASP A 57 -5.564 1.179 10.744 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.168 -0.295 10.457 1.00 0.00 O ATOM 0 H ASP A 57 -8.977 3.385 8.279 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.714 3.035 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.252 1.294 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.683 1.826 8.333 1.00 0.00 H new ATOM 931 N CYS A 58 -6.180 4.430 8.306 1.00 0.00 N ATOM 932 CA CYS A 58 -5.065 5.295 7.936 1.00 0.00 C ATOM 933 C CYS A 58 -5.317 6.730 8.386 1.00 0.00 C ATOM 934 O CYS A 58 -6.271 7.371 7.945 1.00 0.00 O ATOM 935 CB CYS A 58 -4.842 5.254 6.423 1.00 0.00 C ATOM 936 SG CYS A 58 -3.496 6.316 5.847 1.00 0.00 S ATOM 0 H CYS A 58 -6.790 4.174 7.530 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.170 4.928 8.439 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.633 4.227 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.764 5.550 5.922 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.652 6.512 6.816 1.00 0.00 H new ATOM 942 N ILE A 59 -4.456 7.228 9.268 1.00 0.00 N ATOM 943 CA ILE A 59 -4.586 8.587 9.778 1.00 0.00 C ATOM 944 C ILE A 59 -3.635 9.537 9.059 1.00 0.00 C ATOM 945 O ILE A 59 -3.925 10.723 8.905 1.00 0.00 O ATOM 946 CB ILE A 59 -4.309 8.649 11.292 1.00 0.00 C ATOM 947 CG1 ILE A 59 -2.994 7.939 11.621 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.461 8.027 12.067 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.522 8.169 13.039 1.00 0.00 C ATOM 0 H ILE A 59 -3.661 6.710 9.644 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.614 8.897 9.592 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.220 9.694 11.588 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.117 6.869 11.457 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.223 8.281 10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.251 8.078 13.135 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.380 8.572 11.852 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.579 6.985 11.770 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.585 7.636 13.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.366 9.235 13.202 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.274 7.801 13.737 1.00 0.00 H new ATOM 961 N ASN A 60 -2.499 9.007 8.618 1.00 0.00 N ATOM 962 CA ASN A 60 -1.504 9.808 7.914 1.00 0.00 C ATOM 963 C ASN A 60 -0.840 8.999 6.804 1.00 0.00 C ATOM 964 O ASN A 60 -1.009 7.781 6.725 1.00 0.00 O ATOM 965 CB ASN A 60 -0.444 10.319 8.892 1.00 0.00 C ATOM 966 CG ASN A 60 0.452 11.375 8.273 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.007 12.226 7.511 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.738 11.324 8.600 1.00 0.00 N ATOM 0 H ASN A 60 -2.244 8.026 8.736 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.013 10.660 7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.935 10.734 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.166 9.482 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.390 12.008 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.074 10.601 9.236 1.00 0.00 H new ATOM 975 N ILE A 61 -0.086 9.682 5.951 1.00 0.00 N ATOM 976 CA ILE A 61 0.605 9.026 4.847 1.00 0.00 C ATOM 977 C ILE A 61 1.987 9.631 4.626 1.00 0.00 C ATOM 978 O ILE A 61 2.127 10.844 4.466 1.00 0.00 O ATOM 979 CB ILE A 61 -0.202 9.127 3.539 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.640 8.653 3.764 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.465 8.311 2.442 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.602 9.112 2.690 1.00 0.00 C ATOM 0 H ILE A 61 0.063 10.690 6.002 1.00 0.00 H new ATOM 0 HA ILE A 61 0.710 7.976 5.120 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.228 10.170 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.652 7.564 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.987 9.017 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.117 8.392 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.472 8.690 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.518 7.266 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.602 8.740 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.619 10.201 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.279 8.726 1.723 1.00 0.00 H new ATOM 994 N ARG A 62 3.006 8.778 4.617 1.00 0.00 N ATOM 995 CA ARG A 62 4.378 9.228 4.415 1.00 0.00 C ATOM 996 C ARG A 62 4.907 8.768 3.060 1.00 0.00 C ATOM 997 O ARG A 62 4.612 7.660 2.609 1.00 0.00 O ATOM 998 CB ARG A 62 5.280 8.702 5.533 1.00 0.00 C ATOM 999 CG ARG A 62 4.626 8.725 6.905 1.00 0.00 C ATOM 1000 CD ARG A 62 5.662 8.662 8.016 1.00 0.00 C ATOM 1001 NE ARG A 62 6.319 9.950 8.226 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.708 11.011 8.741 1.00 0.00 C ATOM 1003 NH1 ARG A 62 4.433 10.939 9.096 1.00 0.00 N ATOM 1004 NH2 ARG A 62 6.373 12.148 8.900 1.00 0.00 N ATOM 0 H ARG A 62 2.907 7.771 4.747 1.00 0.00 H new ATOM 0 HA ARG A 62 4.383 10.318 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.577 7.680 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.191 9.299 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.032 9.633 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.940 7.883 6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.182 8.345 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.411 7.909 7.771 1.00 0.00 H new ATOM 0 HE ARG A 62 7.300 10.039 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.918 10.067 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.967 11.756 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.354 12.208 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.903 12.962 9.296 1.00 0.00 H new ATOM 1018 N THR A 63 5.690 9.626 2.414 1.00 0.00 N ATOM 1019 CA THR A 63 6.259 9.308 1.110 1.00 0.00 C ATOM 1020 C THR A 63 7.642 9.929 0.948 1.00 0.00 C ATOM 1021 O THR A 63 7.847 11.102 1.257 1.00 0.00 O ATOM 1022 CB THR A 63 5.351 9.799 -0.034 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.960 11.156 0.200 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.114 8.923 -0.157 1.00 0.00 C ATOM 0 H THR A 63 5.945 10.546 2.772 1.00 0.00 H new ATOM 0 HA THR A 63 6.342 8.222 1.057 1.00 0.00 H new ATOM 0 HB THR A 63 5.913 9.739 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.385 11.462 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.488 9.289 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.415 7.896 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.551 8.955 0.776 1.00 0.00 H new ATOM 1032 N GLY A 64 8.589 9.133 0.460 1.00 0.00 N ATOM 1033 CA GLY A 64 9.941 9.623 0.265 1.00 0.00 C ATOM 1034 C GLY A 64 10.779 9.531 1.525 1.00 0.00 C ATOM 1035 O GLY A 64 10.811 8.491 2.183 1.00 0.00 O ATOM 0 H GLY A 64 8.444 8.158 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.421 9.051 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.904 10.660 -0.068 1.00 0.00 H new ATOM 1039 N HIS A 65 11.460 10.622 1.862 1.00 0.00 N ATOM 1040 CA HIS A 65 12.303 10.659 3.051 1.00 0.00 C ATOM 1041 C HIS A 65 11.484 11.018 4.287 1.00 0.00 C ATOM 1042 O HIS A 65 11.998 11.616 5.232 1.00 0.00 O ATOM 1043 CB HIS A 65 13.438 11.668 2.866 1.00 0.00 C ATOM 1044 CG HIS A 65 14.528 11.183 1.961 1.00 0.00 C ATOM 1045 ND1 HIS A 65 15.649 10.524 2.419 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.663 11.264 0.617 1.00 0.00 C ATOM 1047 CE1 HIS A 65 16.428 10.222 1.395 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.852 10.660 0.290 1.00 0.00 N ATOM 0 H HIS A 65 11.444 11.491 1.329 1.00 0.00 H new ATOM 0 HA HIS A 65 12.729 9.666 3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 65 13.028 12.594 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.865 11.905 3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 65 13.965 11.719 -0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 65 17.375 9.705 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.229 10.565 -0.653 1.00 0.00 H new ATOM 1057 N GLU A 66 10.206 10.651 4.272 1.00 0.00 N ATOM 1058 CA GLU A 66 9.316 10.936 5.391 1.00 0.00 C ATOM 1059 C GLU A 66 9.156 9.710 6.285 1.00 0.00 C ATOM 1060 O GLU A 66 8.998 9.831 7.500 1.00 0.00 O ATOM 1061 CB GLU A 66 7.948 11.391 4.880 1.00 0.00 C ATOM 1062 CG GLU A 66 7.999 12.667 4.056 1.00 0.00 C ATOM 1063 CD GLU A 66 6.664 13.385 4.009 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.645 12.724 3.723 1.00 0.00 O ATOM 1065 OE2 GLU A 66 6.639 14.608 4.259 1.00 0.00 O ATOM 0 H GLU A 66 9.764 10.156 3.497 1.00 0.00 H new ATOM 0 HA GLU A 66 9.760 11.738 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.512 10.595 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.284 11.544 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.752 13.335 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.314 12.427 3.041 1.00 0.00 H new ATOM 1138 N GLN A 71 13.680 1.155 5.169 1.00 0.00 N ATOM 1139 CA GLN A 71 14.697 1.444 4.165 1.00 0.00 C ATOM 1140 C GLN A 71 14.264 0.941 2.792 1.00 0.00 C ATOM 1141 O GLN A 71 13.665 -0.126 2.655 1.00 0.00 O ATOM 1142 CB GLN A 71 16.030 0.806 4.558 1.00 0.00 C ATOM 1143 CG GLN A 71 16.464 1.130 5.979 1.00 0.00 C ATOM 1144 CD GLN A 71 16.891 2.575 6.142 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.318 3.221 5.185 1.00 0.00 O ATOM 1146 NE2 GLN A 71 16.779 3.092 7.361 1.00 0.00 N ATOM 0 HA GLN A 71 14.823 2.526 4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.952 -0.276 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.802 1.142 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.642 0.918 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.290 0.477 6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.420 2.521 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.052 4.060 7.532 1.00 0.00 H new ATOM 1155 N PRO A 72 14.573 1.726 1.749 1.00 0.00 N ATOM 1156 CA PRO A 72 14.225 1.380 0.367 1.00 0.00 C ATOM 1157 C PRO A 72 15.036 0.199 -0.156 1.00 0.00 C ATOM 1158 O PRO A 72 16.185 -0.015 0.230 1.00 0.00 O ATOM 1159 CB PRO A 72 14.567 2.652 -0.413 1.00 0.00 C ATOM 1160 CG PRO A 72 15.612 3.329 0.405 1.00 0.00 C ATOM 1161 CD PRO A 72 15.286 3.012 1.838 1.00 0.00 C ATOM 0 HA PRO A 72 13.183 1.073 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.936 2.417 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.690 3.287 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.607 2.969 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.606 4.405 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.187 2.931 2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.665 3.786 2.289 1.00 0.00 H new ATOM 1169 N PRO A 73 14.426 -0.586 -1.056 1.00 0.00 N ATOM 1170 CA PRO A 73 15.073 -1.758 -1.652 1.00 0.00 C ATOM 1171 C PRO A 73 16.201 -1.375 -2.605 1.00 0.00 C ATOM 1172 O PRO A 73 16.311 -0.221 -3.019 1.00 0.00 O ATOM 1173 CB PRO A 73 13.936 -2.441 -2.416 1.00 0.00 C ATOM 1174 CG PRO A 73 12.971 -1.347 -2.718 1.00 0.00 C ATOM 1175 CD PRO A 73 13.056 -0.390 -1.561 1.00 0.00 C ATOM 0 HA PRO A 73 15.540 -2.393 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.300 -2.911 -3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.471 -3.224 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.224 -0.851 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.959 -1.738 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.888 0.639 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.311 -0.615 -0.798 1.00 0.00 H new ATOM 1183 N ASP A 74 17.035 -2.350 -2.949 1.00 0.00 N ATOM 1184 CA ASP A 74 18.153 -2.116 -3.855 1.00 0.00 C ATOM 1185 C ASP A 74 17.661 -1.912 -5.285 1.00 0.00 C ATOM 1186 O ASP A 74 16.953 -2.754 -5.834 1.00 0.00 O ATOM 1187 CB ASP A 74 19.134 -3.288 -3.802 1.00 0.00 C ATOM 1188 CG ASP A 74 20.503 -2.921 -4.341 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.608 -2.638 -5.552 1.00 0.00 O ATOM 1190 OD2 ASP A 74 21.471 -2.919 -3.550 1.00 0.00 O ATOM 0 H ASP A 74 16.958 -3.310 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 74 18.665 -1.209 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.232 -3.630 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.731 -4.122 -4.378 1.00 0.00 H new ATOM 1195 N GLY A 75 18.041 -0.785 -5.881 1.00 0.00 N ATOM 1196 CA GLY A 75 17.628 -0.490 -7.241 1.00 0.00 C ATOM 1197 C GLY A 75 16.386 0.377 -7.294 1.00 0.00 C ATOM 1198 O GLY A 75 15.714 0.449 -8.323 1.00 0.00 O ATOM 0 H GLY A 75 18.627 -0.072 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.441 0.013 -7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.439 -1.424 -7.771 1.00 0.00 H new ATOM 1202 N LYS A 76 16.079 1.037 -6.183 1.00 0.00 N ATOM 1203 CA LYS A 76 14.910 1.904 -6.105 1.00 0.00 C ATOM 1204 C LYS A 76 15.191 3.121 -5.231 1.00 0.00 C ATOM 1205 O LYS A 76 15.835 3.029 -4.185 1.00 0.00 O ATOM 1206 CB LYS A 76 13.711 1.130 -5.551 1.00 0.00 C ATOM 1207 CG LYS A 76 13.308 -0.060 -6.404 1.00 0.00 C ATOM 1208 CD LYS A 76 12.374 0.352 -7.529 1.00 0.00 C ATOM 1209 CE LYS A 76 11.817 -0.859 -8.263 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.706 -1.290 -9.376 1.00 0.00 N ATOM 0 H LYS A 76 16.625 0.988 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 76 14.678 2.249 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.947 0.782 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.862 1.807 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.199 -0.527 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.819 -0.808 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.552 0.943 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.909 0.991 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.690 -1.683 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.829 -0.621 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.292 -2.117 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.808 -0.513 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.641 -1.541 -8.996 1.00 0.00 H new ATOM 1224 N PRO A 77 14.698 4.290 -5.665 1.00 0.00 N ATOM 1225 CA PRO A 77 14.882 5.548 -4.935 1.00 0.00 C ATOM 1226 C PRO A 77 14.089 5.584 -3.633 1.00 0.00 C ATOM 1227 O PRO A 77 13.595 4.557 -3.167 1.00 0.00 O ATOM 1228 CB PRO A 77 14.359 6.605 -5.910 1.00 0.00 C ATOM 1229 CG PRO A 77 13.389 5.875 -6.774 1.00 0.00 C ATOM 1230 CD PRO A 77 13.921 4.474 -6.902 1.00 0.00 C ATOM 0 HA PRO A 77 15.920 5.699 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.877 7.428 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.169 7.035 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.394 5.875 -6.330 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.302 6.350 -7.751 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.116 3.744 -6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.544 4.360 -7.789 1.00 0.00 H new ATOM 1238 N ARG A 78 13.970 6.773 -3.051 1.00 0.00 N ATOM 1239 CA ARG A 78 13.236 6.942 -1.802 1.00 0.00 C ATOM 1240 C ARG A 78 11.805 7.399 -2.070 1.00 0.00 C ATOM 1241 O ARG A 78 10.860 6.903 -1.458 1.00 0.00 O ATOM 1242 CB ARG A 78 13.947 7.955 -0.902 1.00 0.00 C ATOM 1243 CG ARG A 78 13.286 8.133 0.455 1.00 0.00 C ATOM 1244 CD ARG A 78 13.852 7.164 1.481 1.00 0.00 C ATOM 1245 NE ARG A 78 13.300 7.394 2.814 1.00 0.00 N ATOM 1246 CZ ARG A 78 13.920 7.047 3.936 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.106 6.457 3.887 1.00 0.00 N ATOM 1248 NH2 ARG A 78 13.353 7.289 5.111 1.00 0.00 N ATOM 0 H ARG A 78 14.372 7.633 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 78 13.202 5.977 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.979 7.636 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.980 8.919 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.431 9.157 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.211 7.978 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.637 6.141 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.937 7.265 1.515 1.00 0.00 H new ATOM 0 HE ARG A 78 12.388 7.846 2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.545 6.268 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.580 6.192 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.440 7.742 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.830 7.022 5.972 1.00 0.00 H new ATOM 1262 N ASP A 79 11.655 8.348 -2.988 1.00 0.00 N ATOM 1263 CA ASP A 79 10.340 8.872 -3.337 1.00 0.00 C ATOM 1264 C ASP A 79 9.386 7.742 -3.709 1.00 0.00 C ATOM 1265 O ASP A 79 8.166 7.915 -3.693 1.00 0.00 O ATOM 1266 CB ASP A 79 10.453 9.862 -4.497 1.00 0.00 C ATOM 1267 CG ASP A 79 10.745 11.274 -4.027 1.00 0.00 C ATOM 1268 OD1 ASP A 79 10.043 11.751 -3.111 1.00 0.00 O ATOM 1269 OD2 ASP A 79 11.675 11.901 -4.576 1.00 0.00 O ATOM 0 H ASP A 79 12.428 8.770 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 79 9.940 9.390 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.244 9.536 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.524 9.857 -5.067 1.00 0.00 H new ATOM 1274 N CYS A 80 9.948 6.586 -4.043 1.00 0.00 N ATOM 1275 CA CYS A 80 9.147 5.427 -4.421 1.00 0.00 C ATOM 1276 C CYS A 80 8.658 4.678 -3.185 1.00 0.00 C ATOM 1277 O CYS A 80 8.203 3.537 -3.277 1.00 0.00 O ATOM 1278 CB CYS A 80 9.961 4.487 -5.313 1.00 0.00 C ATOM 1279 SG CYS A 80 10.972 3.297 -4.403 1.00 0.00 S ATOM 0 H CYS A 80 10.955 6.426 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 80 8.279 5.782 -4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.279 3.943 -5.967 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.610 5.083 -5.954 1.00 0.00 H new ATOM 0 HG CYS A 80 12.026 3.894 -3.932 1.00 0.00 H new ATOM 1285 N LEU A 81 8.757 5.325 -2.030 1.00 0.00 N ATOM 1286 CA LEU A 81 8.326 4.720 -0.774 1.00 0.00 C ATOM 1287 C LEU A 81 6.970 5.270 -0.342 1.00 0.00 C ATOM 1288 O LEU A 81 6.719 6.473 -0.430 1.00 0.00 O ATOM 1289 CB LEU A 81 9.364 4.974 0.320 1.00 0.00 C ATOM 1290 CG LEU A 81 10.640 4.135 0.242 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.608 4.530 1.347 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.309 2.652 0.325 1.00 0.00 C ATOM 0 H LEU A 81 9.132 6.269 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 81 8.229 3.646 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.643 6.027 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.894 4.796 1.287 1.00 0.00 H new ATOM 0 HG LEU A 81 11.120 4.327 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.510 3.922 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.871 5.583 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.138 4.369 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.229 2.070 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.806 2.444 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.655 2.378 -0.503 1.00 0.00 H new ATOM 1304 N LEU A 82 6.101 4.383 0.128 1.00 0.00 N ATOM 1305 CA LEU A 82 4.771 4.779 0.577 1.00 0.00 C ATOM 1306 C LEU A 82 4.428 4.121 1.910 1.00 0.00 C ATOM 1307 O LEU A 82 4.390 2.896 2.016 1.00 0.00 O ATOM 1308 CB LEU A 82 3.723 4.405 -0.473 1.00 0.00 C ATOM 1309 CG LEU A 82 2.307 4.923 -0.223 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.135 6.314 -0.811 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.278 3.964 -0.805 1.00 0.00 C ATOM 0 H LEU A 82 6.293 3.384 0.208 1.00 0.00 H new ATOM 0 HA LEU A 82 4.769 5.860 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.059 4.777 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.683 3.318 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 82 2.148 4.985 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.121 6.666 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.847 6.996 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.314 6.279 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.275 4.349 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.436 3.869 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.385 2.986 -0.335 1.00 0.00 H new ATOM 1323 N GLN A 83 4.176 4.944 2.923 1.00 0.00 N ATOM 1324 CA GLN A 83 3.834 4.441 4.248 1.00 0.00 C ATOM 1325 C GLN A 83 2.413 4.840 4.632 1.00 0.00 C ATOM 1326 O GLN A 83 1.978 5.960 4.361 1.00 0.00 O ATOM 1327 CB GLN A 83 4.824 4.970 5.288 1.00 0.00 C ATOM 1328 CG GLN A 83 5.010 4.042 6.478 1.00 0.00 C ATOM 1329 CD GLN A 83 6.280 4.334 7.252 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.358 5.314 7.993 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.285 3.482 7.084 1.00 0.00 N ATOM 0 H GLN A 83 4.202 5.961 2.851 1.00 0.00 H new ATOM 0 HA GLN A 83 3.891 3.353 4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.790 5.131 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.479 5.940 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.153 4.136 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.031 3.010 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.177 2.683 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.165 3.627 7.579 1.00 0.00 H new ATOM 1340 N ILE A 84 1.695 3.918 5.264 1.00 0.00 N ATOM 1341 CA ILE A 84 0.324 4.175 5.686 1.00 0.00 C ATOM 1342 C ILE A 84 0.191 4.096 7.203 1.00 0.00 C ATOM 1343 O ILE A 84 0.028 3.015 7.768 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.659 3.177 5.044 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.502 3.183 3.522 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.089 3.516 5.436 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.644 4.556 2.904 1.00 0.00 C ATOM 0 H ILE A 84 2.040 2.986 5.495 1.00 0.00 H new ATOM 0 HA ILE A 84 0.076 5.183 5.354 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.431 2.176 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.476 2.777 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.248 2.518 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.772 2.802 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.190 3.467 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.331 4.522 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.521 4.483 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.632 4.957 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.119 5.219 3.312 1.00 0.00 H new ATOM 1359 N VAL A 85 0.260 5.251 7.858 1.00 0.00 N ATOM 1360 CA VAL A 85 0.144 5.314 9.310 1.00 0.00 C ATOM 1361 C VAL A 85 -1.253 4.912 9.768 1.00 0.00 C ATOM 1362 O VAL A 85 -2.200 5.692 9.664 1.00 0.00 O ATOM 1363 CB VAL A 85 0.459 6.727 9.837 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.237 6.798 11.340 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.884 7.123 9.481 1.00 0.00 C ATOM 0 H VAL A 85 0.396 6.155 7.406 1.00 0.00 H new ATOM 0 HA VAL A 85 0.872 4.612 9.717 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.220 7.434 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.464 7.803 11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.802 6.560 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.890 6.081 11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.089 8.124 9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.581 6.415 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.004 7.115 8.398 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.374 3.691 10.276 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.657 3.184 10.751 1.00 0.00 C ATOM 1377 C CYS A 86 -3.144 3.981 11.956 1.00 0.00 C ATOM 1378 O CYS A 86 -2.511 4.954 12.367 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.540 1.703 11.116 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.671 0.582 9.704 1.00 0.00 S ATOM 0 H CYS A 86 -0.600 3.034 10.370 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.384 3.296 9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.583 1.536 11.611 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.319 1.455 11.837 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.921 0.292 9.495 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.273 3.562 12.519 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.847 4.239 13.676 1.00 0.00 C ATOM 1388 C ARG A 87 -4.545 3.471 14.959 1.00 0.00 C ATOM 1389 O ARG A 87 -4.061 4.042 15.937 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.359 4.393 13.505 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.913 5.672 14.112 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.389 5.534 14.451 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.802 6.474 15.489 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.976 6.416 16.108 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.848 5.468 15.795 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.280 7.308 17.042 1.00 0.00 N ATOM 0 H ARG A 87 -4.808 2.757 12.193 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.394 5.228 13.749 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.600 4.371 12.442 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.857 3.538 13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.353 5.920 15.014 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.775 6.497 13.413 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.984 5.701 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.591 4.516 14.783 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.154 7.216 15.753 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.618 4.781 15.077 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.749 5.426 16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.612 8.039 17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.182 7.262 17.517 1.00 0.00 H new ATOM 1410 N ASP A 88 -4.834 2.175 14.949 1.00 0.00 N ATOM 1411 CA ASP A 88 -4.593 1.328 16.112 1.00 0.00 C ATOM 1412 C ASP A 88 -3.121 0.941 16.207 1.00 0.00 C ATOM 1413 O ASP A 88 -2.755 -0.212 15.984 1.00 0.00 O ATOM 1414 CB ASP A 88 -5.460 0.070 16.042 1.00 0.00 C ATOM 1415 CG ASP A 88 -6.939 0.378 16.169 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -7.586 0.620 15.129 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -7.450 0.379 17.309 1.00 0.00 O ATOM 0 H ASP A 88 -5.236 1.687 14.148 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.859 1.895 17.004 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.278 -0.441 15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.165 -0.616 16.836 1.00 0.00 H new ATOM 1422 N GLY A 89 -2.278 1.915 16.539 1.00 0.00 N ATOM 1423 CA GLY A 89 -0.855 1.657 16.656 1.00 0.00 C ATOM 1424 C GLY A 89 -0.363 0.649 15.637 1.00 0.00 C ATOM 1425 O GLY A 89 -0.288 -0.547 15.921 1.00 0.00 O ATOM 0 H GLY A 89 -2.556 2.878 16.729 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.308 2.592 16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.636 1.291 17.659 1.00 0.00 H new ATOM 1429 N LYS A 90 -0.027 1.130 14.445 1.00 0.00 N ATOM 1430 CA LYS A 90 0.460 0.263 13.379 1.00 0.00 C ATOM 1431 C LYS A 90 0.892 1.082 12.167 1.00 0.00 C ATOM 1432 O LYS A 90 0.492 2.236 12.009 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.624 -0.737 12.971 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.233 -1.610 11.791 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.374 -2.521 11.370 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.187 -3.027 9.948 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.491 -3.286 9.276 1.00 0.00 N ATOM 0 H LYS A 90 -0.083 2.117 14.193 1.00 0.00 H new ATOM 0 HA LYS A 90 1.326 -0.282 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.857 -1.375 13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.535 -0.192 12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.059 -0.979 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.636 -2.212 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.436 -3.368 12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.318 -1.982 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.621 -2.294 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.598 -3.944 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.409 -3.065 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.749 -4.287 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.226 -2.687 9.703 1.00 0.00 H new ATOM 1451 N THR A 91 1.711 0.478 11.311 1.00 0.00 N ATOM 1452 CA THR A 91 2.197 1.151 10.113 1.00 0.00 C ATOM 1453 C THR A 91 2.495 0.150 9.003 1.00 0.00 C ATOM 1454 O THR A 91 2.985 -0.950 9.261 1.00 0.00 O ATOM 1455 CB THR A 91 3.469 1.969 10.405 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.223 2.893 11.472 1.00 0.00 O ATOM 1457 CG2 THR A 91 3.922 2.726 9.166 1.00 0.00 C ATOM 0 H THR A 91 2.052 -0.477 11.426 1.00 0.00 H new ATOM 0 HA THR A 91 1.406 1.826 9.787 1.00 0.00 H new ATOM 0 HB THR A 91 4.259 1.278 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.037 3.408 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.822 3.296 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.136 2.018 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.133 3.407 8.847 1.00 0.00 H new ATOM 1465 N ILE A 92 2.195 0.537 7.767 1.00 0.00 N ATOM 1466 CA ILE A 92 2.433 -0.327 6.618 1.00 0.00 C ATOM 1467 C ILE A 92 3.482 0.273 5.687 1.00 0.00 C ATOM 1468 O ILE A 92 3.274 1.338 5.105 1.00 0.00 O ATOM 1469 CB ILE A 92 1.138 -0.574 5.822 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.027 -1.065 6.752 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.385 -1.578 4.706 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.362 -0.684 6.290 1.00 0.00 C ATOM 0 H ILE A 92 1.787 1.443 7.536 1.00 0.00 H new ATOM 0 HA ILE A 92 2.797 -1.277 7.008 1.00 0.00 H new ATOM 0 HB ILE A 92 0.820 0.367 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.088 -2.150 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.193 -0.658 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.460 -1.742 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.148 -1.191 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.724 -2.522 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.098 -1.065 6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.442 0.402 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.549 -1.113 5.306 1.00 0.00 H new ATOM 1484 N SER A 93 4.608 -0.419 5.550 1.00 0.00 N ATOM 1485 CA SER A 93 5.691 0.045 4.691 1.00 0.00 C ATOM 1486 C SER A 93 5.534 -0.501 3.276 1.00 0.00 C ATOM 1487 O SER A 93 5.779 -1.681 3.022 1.00 0.00 O ATOM 1488 CB SER A 93 7.044 -0.378 5.267 1.00 0.00 C ATOM 1489 OG SER A 93 7.007 -0.417 6.683 1.00 0.00 O ATOM 0 H SER A 93 4.794 -1.303 6.023 1.00 0.00 H new ATOM 0 HA SER A 93 5.647 1.133 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.316 -1.360 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.816 0.319 4.940 1.00 0.00 H new ATOM 0 HG SER A 93 7.883 -0.692 7.026 1.00 0.00 H new ATOM 1495 N LEU A 94 5.125 0.366 2.356 1.00 0.00 N ATOM 1496 CA LEU A 94 4.935 -0.027 0.964 1.00 0.00 C ATOM 1497 C LEU A 94 5.964 0.646 0.062 1.00 0.00 C ATOM 1498 O LEU A 94 6.554 1.663 0.429 1.00 0.00 O ATOM 1499 CB LEU A 94 3.522 0.331 0.501 1.00 0.00 C ATOM 1500 CG LEU A 94 2.383 -0.101 1.424 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.081 0.573 1.019 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.229 -1.615 1.408 1.00 0.00 C ATOM 0 H LEU A 94 4.919 1.346 2.549 1.00 0.00 H new ATOM 0 HA LEU A 94 5.071 -1.106 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.467 1.412 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.358 -0.117 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 94 2.627 0.209 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.282 0.253 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.196 1.655 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.830 0.295 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.414 -1.905 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.008 -1.948 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.155 -2.079 1.748 1.00 0.00 H new ATOM 1514 N CYS A 95 6.173 0.074 -1.118 1.00 0.00 N ATOM 1515 CA CYS A 95 7.130 0.620 -2.074 1.00 0.00 C ATOM 1516 C CYS A 95 6.628 0.450 -3.504 1.00 0.00 C ATOM 1517 O CYS A 95 6.242 -0.645 -3.911 1.00 0.00 O ATOM 1518 CB CYS A 95 8.489 -0.064 -1.913 1.00 0.00 C ATOM 1519 SG CYS A 95 9.666 0.313 -3.233 1.00 0.00 S ATOM 0 H CYS A 95 5.693 -0.768 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 95 7.241 1.685 -1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.923 0.233 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.338 -1.143 -1.872 1.00 0.00 H new ATOM 0 HG CYS A 95 9.864 1.597 -3.284 1.00 0.00 H new ATOM 1525 N ALA A 96 6.634 1.543 -4.261 1.00 0.00 N ATOM 1526 CA ALA A 96 6.180 1.515 -5.646 1.00 0.00 C ATOM 1527 C ALA A 96 7.333 1.210 -6.596 1.00 0.00 C ATOM 1528 O ALA A 96 8.497 1.424 -6.262 1.00 0.00 O ATOM 1529 CB ALA A 96 5.526 2.839 -6.013 1.00 0.00 C ATOM 0 H ALA A 96 6.948 2.458 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 96 5.443 0.718 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.192 2.805 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.670 3.015 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.247 3.647 -5.891 1.00 0.00 H new ATOM 1535 N GLU A 97 7.000 0.708 -7.781 1.00 0.00 N ATOM 1536 CA GLU A 97 8.009 0.372 -8.779 1.00 0.00 C ATOM 1537 C GLU A 97 8.825 1.603 -9.162 1.00 0.00 C ATOM 1538 O GLU A 97 10.047 1.535 -9.292 1.00 0.00 O ATOM 1539 CB GLU A 97 7.349 -0.224 -10.024 1.00 0.00 C ATOM 1540 CG GLU A 97 7.161 -1.730 -9.951 1.00 0.00 C ATOM 1541 CD GLU A 97 8.474 -2.485 -10.024 1.00 0.00 C ATOM 1542 OE1 GLU A 97 9.444 -1.936 -10.588 1.00 0.00 O ATOM 1543 OE2 GLU A 97 8.532 -3.625 -9.517 1.00 0.00 O ATOM 0 H GLU A 97 6.040 0.525 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 97 8.681 -0.368 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.378 0.248 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.956 0.016 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.651 -1.984 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.515 -2.052 -10.768 1.00 0.00 H new ATOM 1550 N SER A 98 8.140 2.728 -9.342 1.00 0.00 N ATOM 1551 CA SER A 98 8.800 3.973 -9.715 1.00 0.00 C ATOM 1552 C SER A 98 8.056 5.175 -9.141 1.00 0.00 C ATOM 1553 O SER A 98 6.894 5.072 -8.746 1.00 0.00 O ATOM 1554 CB SER A 98 8.886 4.093 -11.238 1.00 0.00 C ATOM 1555 OG SER A 98 7.601 4.011 -11.830 1.00 0.00 O ATOM 0 H SER A 98 7.128 2.802 -9.235 1.00 0.00 H new ATOM 0 HA SER A 98 9.808 3.959 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.353 5.041 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.523 3.301 -11.633 1.00 0.00 H new ATOM 0 HG SER A 98 7.683 4.092 -12.803 1.00 0.00 H new ATOM 1561 N THR A 99 8.735 6.318 -9.096 1.00 0.00 N ATOM 1562 CA THR A 99 8.142 7.540 -8.569 1.00 0.00 C ATOM 1563 C THR A 99 6.717 7.724 -9.080 1.00 0.00 C ATOM 1564 O THR A 99 5.815 8.073 -8.319 1.00 0.00 O ATOM 1565 CB THR A 99 8.975 8.778 -8.948 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.344 8.580 -8.578 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.435 10.025 -8.264 1.00 0.00 C ATOM 0 H THR A 99 9.697 6.422 -9.419 1.00 0.00 H new ATOM 0 HA THR A 99 8.126 7.441 -7.484 1.00 0.00 H new ATOM 0 HB THR A 99 8.907 8.917 -10.027 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.867 9.371 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.040 10.886 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.402 10.190 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.475 9.893 -7.183 1.00 0.00 H new ATOM 1575 N ASP A 100 6.522 7.487 -10.372 1.00 0.00 N ATOM 1576 CA ASP A 100 5.206 7.625 -10.985 1.00 0.00 C ATOM 1577 C ASP A 100 4.176 6.766 -10.258 1.00 0.00 C ATOM 1578 O ASP A 100 3.101 7.244 -9.895 1.00 0.00 O ATOM 1579 CB ASP A 100 5.264 7.233 -12.462 1.00 0.00 C ATOM 1580 CG ASP A 100 3.910 6.821 -13.006 1.00 0.00 C ATOM 1581 OD1 ASP A 100 2.994 7.669 -13.022 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.767 5.650 -13.415 1.00 0.00 O ATOM 0 H ASP A 100 7.259 7.198 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 100 4.903 8.669 -10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.645 8.073 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.969 6.411 -12.589 1.00 0.00 H new ATOM 1587 N ASP A 101 4.511 5.497 -10.051 1.00 0.00 N ATOM 1588 CA ASP A 101 3.615 4.572 -9.368 1.00 0.00 C ATOM 1589 C ASP A 101 3.277 5.076 -7.969 1.00 0.00 C ATOM 1590 O ASP A 101 2.108 5.134 -7.585 1.00 0.00 O ATOM 1591 CB ASP A 101 4.250 3.183 -9.284 1.00 0.00 C ATOM 1592 CG ASP A 101 3.909 2.317 -10.480 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.666 2.878 -11.569 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.886 1.078 -10.328 1.00 0.00 O ATOM 0 H ASP A 101 5.396 5.086 -10.347 1.00 0.00 H new ATOM 0 HA ASP A 101 2.692 4.507 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.333 3.286 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.914 2.688 -8.373 1.00 0.00 H new ATOM 1599 N CYS A 102 4.306 5.439 -7.211 1.00 0.00 N ATOM 1600 CA CYS A 102 4.118 5.937 -5.853 1.00 0.00 C ATOM 1601 C CYS A 102 3.134 7.102 -5.833 1.00 0.00 C ATOM 1602 O CYS A 102 2.200 7.126 -5.030 1.00 0.00 O ATOM 1603 CB CYS A 102 5.457 6.373 -5.258 1.00 0.00 C ATOM 1604 SG CYS A 102 5.376 6.824 -3.509 1.00 0.00 S ATOM 0 H CYS A 102 5.279 5.398 -7.514 1.00 0.00 H new ATOM 0 HA CYS A 102 3.707 5.128 -5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.177 5.564 -5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.834 7.224 -5.825 1.00 0.00 H new ATOM 0 HG CYS A 102 6.488 7.398 -3.157 1.00 0.00 H new ATOM 1610 N LEU A 103 3.351 8.068 -6.718 1.00 0.00 N ATOM 1611 CA LEU A 103 2.485 9.239 -6.801 1.00 0.00 C ATOM 1612 C LEU A 103 1.039 8.829 -7.061 1.00 0.00 C ATOM 1613 O LEU A 103 0.117 9.327 -6.417 1.00 0.00 O ATOM 1614 CB LEU A 103 2.968 10.177 -7.909 1.00 0.00 C ATOM 1615 CG LEU A 103 4.113 11.120 -7.537 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.717 11.744 -8.786 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.626 12.200 -6.582 1.00 0.00 C ATOM 0 H LEU A 103 4.119 8.064 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 103 2.529 9.762 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.284 9.571 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.122 10.778 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 103 4.887 10.540 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.530 12.412 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.103 10.958 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.951 12.310 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.454 12.862 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.834 12.777 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.241 11.736 -5.674 1.00 0.00 H new ATOM 1629 N ALA A 104 0.849 7.916 -8.008 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.484 7.435 -8.350 1.00 0.00 C ATOM 1631 C ALA A 104 -1.226 6.947 -7.111 1.00 0.00 C ATOM 1632 O ALA A 104 -2.323 7.416 -6.808 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.395 6.325 -9.386 1.00 0.00 C ATOM 0 H ALA A 104 1.602 7.495 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.046 8.267 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.398 5.975 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.088 6.705 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.189 5.497 -8.983 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.621 6.002 -6.399 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.226 5.450 -5.192 1.00 0.00 C ATOM 1641 C TRP A 105 -1.471 6.542 -4.157 1.00 0.00 C ATOM 1642 O TRP A 105 -2.549 6.621 -3.566 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.330 4.361 -4.600 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.629 2.992 -5.131 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.197 2.204 -5.881 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.841 2.250 -4.953 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.428 1.018 -6.180 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.679 1.021 -5.622 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.046 2.503 -4.293 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.677 0.051 -5.648 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.036 1.540 -4.320 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.847 0.326 -4.993 1.00 0.00 C ATOM 0 H TRP A 105 0.287 5.603 -6.637 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.186 5.012 -5.465 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.712 4.604 -4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.445 4.356 -3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.195 2.474 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.026 0.258 -6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.201 3.435 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.533 -0.885 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.972 1.726 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.640 -0.407 -4.995 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.466 7.383 -3.941 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.572 8.473 -2.978 1.00 0.00 C ATOM 1665 C LYS A 106 -1.782 9.351 -3.282 1.00 0.00 C ATOM 1666 O LYS A 106 -2.582 9.651 -2.395 1.00 0.00 O ATOM 1667 CB LYS A 106 0.702 9.320 -2.992 1.00 0.00 C ATOM 1668 CG LYS A 106 0.569 10.632 -2.239 1.00 0.00 C ATOM 1669 CD LYS A 106 1.927 11.190 -1.847 1.00 0.00 C ATOM 1670 CE LYS A 106 1.793 12.331 -0.849 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.746 11.836 0.555 1.00 0.00 N ATOM 0 H LYS A 106 0.433 7.331 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.700 8.038 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.517 8.742 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.977 9.530 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.042 11.357 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.035 10.480 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.537 10.397 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.448 11.543 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.633 13.016 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.888 12.898 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.453 12.609 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.063 11.054 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.689 11.498 0.836 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.911 9.758 -4.540 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.025 10.602 -4.960 1.00 0.00 C ATOM 1687 C PHE A 107 -4.361 9.945 -4.626 1.00 0.00 C ATOM 1688 O PHE A 107 -5.293 10.605 -4.166 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.942 10.881 -6.462 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.812 11.795 -6.841 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.584 12.966 -6.135 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.977 11.484 -7.902 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.546 13.809 -6.482 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.063 12.324 -8.253 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.280 13.487 -7.541 1.00 0.00 C ATOM 0 H PHE A 107 -1.259 9.518 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.959 11.545 -4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.828 9.936 -6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.882 11.322 -6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.225 13.222 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.141 10.575 -8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.380 14.720 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.705 12.071 -9.083 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.094 14.143 -7.812 1.00 0.00 H new ATOM 1705 N THR A 108 -4.447 8.639 -4.862 1.00 0.00 N ATOM 1706 CA THR A 108 -5.668 7.892 -4.589 1.00 0.00 C ATOM 1707 C THR A 108 -5.961 7.846 -3.094 1.00 0.00 C ATOM 1708 O THR A 108 -7.105 8.020 -2.669 1.00 0.00 O ATOM 1709 CB THR A 108 -5.578 6.452 -5.128 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.189 6.468 -6.506 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.911 5.734 -4.980 1.00 0.00 C ATOM 0 H THR A 108 -3.685 8.077 -5.242 1.00 0.00 H new ATOM 0 HA THR A 108 -6.478 8.413 -5.099 1.00 0.00 H new ATOM 0 HB THR A 108 -4.829 5.916 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.248 6.732 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.823 4.719 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.190 5.697 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.677 6.270 -5.540 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.923 7.611 -2.299 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.069 7.543 -0.849 1.00 0.00 C ATOM 1721 C LEU A 109 -5.468 8.900 -0.278 1.00 0.00 C ATOM 1722 O LEU A 109 -6.433 9.005 0.479 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.764 7.070 -0.207 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.271 5.686 -0.630 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.767 5.572 -0.432 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -3.997 4.600 0.150 1.00 0.00 C ATOM 0 H LEU A 109 -3.971 7.464 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.859 6.827 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.985 7.797 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.893 7.073 0.875 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.489 5.552 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.434 4.580 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.262 6.327 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.526 5.727 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.633 3.622 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.811 4.731 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.068 4.668 -0.042 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.721 9.935 -0.647 1.00 0.00 N ATOM 1739 CA GLN A 110 -4.998 11.285 -0.172 1.00 0.00 C ATOM 1740 C GLN A 110 -6.443 11.678 -0.462 1.00 0.00 C ATOM 1741 O GLN A 110 -6.989 12.584 0.169 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.044 12.285 -0.828 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.677 12.345 -0.165 1.00 0.00 C ATOM 1744 CD GLN A 110 -1.868 13.550 -0.605 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.102 14.112 -1.676 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -0.910 13.953 0.220 1.00 0.00 N ATOM 0 H GLN A 110 -3.919 9.865 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.845 11.302 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.918 12.020 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.496 13.277 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.803 12.372 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.124 11.435 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.751 13.458 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.333 14.758 -0.023 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.057 10.992 -1.419 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.439 11.269 -1.792 1.00 0.00 C ATOM 1757 C ASP A 111 -9.406 10.446 -0.946 1.00 0.00 C ATOM 1758 O ASP A 111 -10.409 10.961 -0.454 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.659 10.970 -3.276 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.791 11.786 -3.870 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.940 12.963 -3.481 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.526 11.247 -4.723 1.00 0.00 O ATOM 0 H ASP A 111 -6.619 10.240 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.634 12.326 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.740 11.175 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.875 9.909 -3.402 1.00 0.00 H new ATOM 1767 N SER A 112 -9.096 9.163 -0.782 1.00 0.00 N ATOM 1768 CA SER A 112 -9.940 8.268 0.000 1.00 0.00 C ATOM 1769 C SER A 112 -10.128 8.799 1.418 1.00 0.00 C ATOM 1770 O SER A 112 -11.196 8.651 2.011 1.00 0.00 O ATOM 1771 CB SER A 112 -9.327 6.866 0.046 1.00 0.00 C ATOM 1772 OG SER A 112 -8.387 6.754 1.100 1.00 0.00 O ATOM 0 H SER A 112 -8.267 8.721 -1.180 1.00 0.00 H new ATOM 0 HA SER A 112 -10.916 8.215 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.116 6.125 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.840 6.647 -0.904 1.00 0.00 H new ATOM 0 HG SER A 112 -7.743 7.491 1.044 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.082 9.418 1.955 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.130 9.970 3.303 1.00 0.00 C ATOM 1780 C ARG A 113 -10.046 11.190 3.359 1.00 0.00 C ATOM 1781 O ARG A 113 -10.863 11.326 4.270 1.00 0.00 O ATOM 1782 CB ARG A 113 -7.725 10.353 3.771 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.140 11.544 3.031 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.716 11.836 3.481 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.676 12.456 4.802 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.550 12.748 5.443 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -3.377 12.479 4.886 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.595 13.312 6.643 1.00 0.00 N ATOM 0 H ARG A 113 -8.191 9.550 1.477 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.531 9.205 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -7.755 10.578 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.063 9.496 3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.151 11.348 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.764 12.422 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.144 10.908 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.235 12.494 2.757 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.561 12.677 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.338 12.047 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.514 12.704 5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.495 13.522 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.729 13.536 7.134 1.00 0.00 H new