USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 890 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 117 TYR OH : rot -115:sc= 0.914 USER MOD Set 1.2: A 119 CYS SG : rot -123:sc= -2.46! USER MOD Set 2.1: A 40 ASN : amide:sc= 0.626 K(o=-1,f=-6) USER MOD Set 2.2: A 51 THR OG1 : rot -94:sc= 0.533 USER MOD Set 2.3: A 53 LYS NZ :NH3+ -139:sc= -2.19 (180deg=-3.96!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.54) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0606 F(o=-0.91,f=-0.061) USER MOD Single : A 32 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -2.93! F(o=-4.7,f=-2.9!) USER MOD Single : A 37 CYS SG : rot -115:sc= 1.95 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= -2.43 (180deg=-4.65!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.753 X(o=-0.75,f=-1.1) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.705! F(o=-1.2,f=-0.7!) USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= 0.747 (180deg=-0.203) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 149:sc= -4.27! (180deg=-6.7!) USER MOD Single : A 68 THR OG1 : rot 150:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -113:sc= 0.18 (180deg=-0.204) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -141:sc= -5.22! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0896 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0803 USER MOD Single : A 100 SER OG : rot 23:sc= 0.0163 USER MOD Single : A 111 MET CE :methyl -111:sc= -0.342 (180deg=-3.83!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0657 USER MOD Single : A 120 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.9) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 12:sc= 1.06 USER MOD Single : A 128 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.38 K(o=-2.4,f=-4.5!) USER MOD Single : A 133 TYR OH : rot 150:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.698 12.958 -12.752 1.00 0.00 N ATOM 118 CA SER A 12 -0.730 11.676 -12.059 1.00 0.00 C ATOM 119 C SER A 12 0.245 11.667 -10.886 1.00 0.00 C ATOM 120 O SER A 12 1.069 12.571 -10.742 1.00 0.00 O ATOM 121 CB SER A 12 -0.391 10.540 -13.026 1.00 0.00 C ATOM 122 OG SER A 12 -1.558 10.044 -13.659 1.00 0.00 O ATOM 0 HA SER A 12 -1.738 11.526 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.311 10.897 -13.779 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.104 9.733 -12.485 1.00 0.00 H new ATOM 0 HG SER A 12 -1.315 9.320 -14.273 1.00 0.00 H new ATOM 128 N PHE A 13 0.145 10.640 -10.048 1.00 0.00 N ATOM 129 CA PHE A 13 1.017 10.513 -8.886 1.00 0.00 C ATOM 130 C PHE A 13 1.805 9.208 -8.938 1.00 0.00 C ATOM 131 O PHE A 13 1.541 8.342 -9.772 1.00 0.00 O ATOM 132 CB PHE A 13 0.195 10.575 -7.597 1.00 0.00 C ATOM 133 CG PHE A 13 -0.362 11.940 -7.306 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.359 12.480 -8.102 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.111 12.682 -6.236 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.872 13.735 -7.837 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.399 13.938 -5.965 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.393 14.465 -6.767 1.00 0.00 C ATOM 0 H PHE A 13 -0.531 9.884 -10.152 1.00 0.00 H new ATOM 0 HA PHE A 13 1.723 11.344 -8.899 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.627 9.863 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.820 10.261 -6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.739 11.913 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.888 12.274 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.648 14.145 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.021 14.506 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.794 15.446 -6.558 1.00 0.00 H new ATOM 148 N VAL A 14 2.777 9.075 -8.040 1.00 0.00 N ATOM 149 CA VAL A 14 3.604 7.876 -7.982 1.00 0.00 C ATOM 150 C VAL A 14 3.920 7.496 -6.540 1.00 0.00 C ATOM 151 O VAL A 14 3.513 8.182 -5.602 1.00 0.00 O ATOM 152 CB VAL A 14 4.925 8.068 -8.752 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.649 8.384 -10.214 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.761 9.164 -8.109 1.00 0.00 C ATOM 0 H VAL A 14 3.010 9.783 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 14 3.033 7.074 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 14 5.491 7.138 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.593 8.516 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.093 7.562 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.063 9.300 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.690 9.286 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.204 10.101 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.988 8.891 -7.079 1.00 0.00 H new ATOM 164 N LEU A 15 4.649 6.398 -6.369 1.00 0.00 N ATOM 165 CA LEU A 15 5.021 5.926 -5.040 1.00 0.00 C ATOM 166 C LEU A 15 6.452 6.331 -4.699 1.00 0.00 C ATOM 167 O LEU A 15 7.339 6.289 -5.551 1.00 0.00 O ATOM 168 CB LEU A 15 4.877 4.405 -4.959 1.00 0.00 C ATOM 169 CG LEU A 15 3.535 3.833 -5.418 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.714 2.426 -5.967 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.533 3.838 -4.273 1.00 0.00 C ATOM 0 H LEU A 15 4.994 5.818 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 15 4.350 6.388 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.666 3.953 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.046 4.098 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 15 3.146 4.465 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.749 2.035 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.397 2.451 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.125 1.782 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.584 3.428 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.915 3.230 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.382 4.860 -3.927 1.00 0.00 H new ATOM 183 N ASP A 16 6.668 6.721 -3.448 1.00 0.00 N ATOM 184 CA ASP A 16 7.992 7.130 -2.993 1.00 0.00 C ATOM 185 C ASP A 16 8.666 6.011 -2.206 1.00 0.00 C ATOM 186 O ASP A 16 9.489 6.265 -1.326 1.00 0.00 O ATOM 187 CB ASP A 16 7.891 8.388 -2.129 1.00 0.00 C ATOM 188 CG ASP A 16 9.141 9.242 -2.201 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.225 8.686 -2.476 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.036 10.467 -1.984 1.00 0.00 O ATOM 0 H ASP A 16 5.944 6.763 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 16 8.599 7.349 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.033 8.978 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.710 8.100 -1.093 1.00 0.00 H new ATOM 195 N PHE A 17 8.310 4.771 -2.527 1.00 0.00 N ATOM 196 CA PHE A 17 8.880 3.612 -1.849 1.00 0.00 C ATOM 197 C PHE A 17 8.961 2.416 -2.792 1.00 0.00 C ATOM 198 O PHE A 17 8.170 2.295 -3.728 1.00 0.00 O ATOM 199 CB PHE A 17 8.042 3.252 -0.620 1.00 0.00 C ATOM 200 CG PHE A 17 6.580 3.082 -0.920 1.00 0.00 C ATOM 201 CD1 PHE A 17 6.104 1.902 -1.468 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.682 4.103 -0.655 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.759 1.742 -1.744 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.336 3.950 -0.929 1.00 0.00 C ATOM 205 CZ PHE A 17 3.874 2.768 -1.476 1.00 0.00 C ATOM 0 H PHE A 17 7.630 4.543 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 17 9.890 3.869 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.426 2.328 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.162 4.031 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.792 1.098 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.038 5.030 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.401 0.816 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.646 4.753 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.823 2.647 -1.693 1.00 0.00 H new ATOM 215 N SER A 18 9.923 1.535 -2.539 1.00 0.00 N ATOM 216 CA SER A 18 10.111 0.349 -3.368 1.00 0.00 C ATOM 217 C SER A 18 9.067 -0.714 -3.041 1.00 0.00 C ATOM 218 O SER A 18 8.605 -0.816 -1.905 1.00 0.00 O ATOM 219 CB SER A 18 11.517 -0.221 -3.166 1.00 0.00 C ATOM 220 OG SER A 18 12.507 0.762 -3.412 1.00 0.00 O ATOM 0 H SER A 18 10.584 1.619 -1.767 1.00 0.00 H new ATOM 0 HA SER A 18 9.991 0.642 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.618 -0.596 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.668 -1.069 -3.834 1.00 0.00 H new ATOM 0 HG SER A 18 13.396 0.373 -3.274 1.00 0.00 H new ATOM 226 N GLN A 19 8.700 -1.502 -4.046 1.00 0.00 N ATOM 227 CA GLN A 19 7.709 -2.557 -3.866 1.00 0.00 C ATOM 228 C GLN A 19 8.196 -3.594 -2.859 1.00 0.00 C ATOM 229 O GLN A 19 9.353 -4.016 -2.875 1.00 0.00 O ATOM 230 CB GLN A 19 7.403 -3.232 -5.204 1.00 0.00 C ATOM 231 CG GLN A 19 7.035 -2.254 -6.308 1.00 0.00 C ATOM 232 CD GLN A 19 6.054 -1.195 -5.846 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.325 0.003 -5.941 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.905 -1.631 -5.344 1.00 0.00 N ATOM 0 H GLN A 19 9.073 -1.430 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 19 6.797 -2.102 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.272 -3.810 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.583 -3.937 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.940 -1.770 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.604 -2.803 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.722 -2.633 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.205 -0.964 -5.018 1.00 0.00 H new ATOM 243 N PRO A 20 7.293 -4.017 -1.961 1.00 0.00 N ATOM 244 CA PRO A 20 7.608 -5.011 -0.930 1.00 0.00 C ATOM 245 C PRO A 20 7.824 -6.403 -1.514 1.00 0.00 C ATOM 246 O PRO A 20 8.691 -7.149 -1.059 1.00 0.00 O ATOM 247 CB PRO A 20 6.369 -4.994 -0.032 1.00 0.00 C ATOM 248 CG PRO A 20 5.267 -4.521 -0.916 1.00 0.00 C ATOM 249 CD PRO A 20 5.897 -3.558 -1.884 1.00 0.00 C ATOM 0 HA PRO A 20 8.534 -4.776 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.157 -5.985 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.507 -4.328 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.803 -5.355 -1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.483 -4.034 -0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.409 -3.590 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.831 -2.530 -1.528 1.00 0.00 H new ATOM 257 N SER A 21 7.031 -6.746 -2.524 1.00 0.00 N ATOM 258 CA SER A 21 7.134 -8.050 -3.167 1.00 0.00 C ATOM 259 C SER A 21 8.536 -8.270 -3.729 1.00 0.00 C ATOM 260 O SER A 21 8.970 -9.406 -3.916 1.00 0.00 O ATOM 261 CB SER A 21 6.099 -8.173 -4.287 1.00 0.00 C ATOM 262 OG SER A 21 6.563 -7.566 -5.480 1.00 0.00 O ATOM 0 H SER A 21 6.310 -6.139 -2.914 1.00 0.00 H new ATOM 0 HA SER A 21 6.939 -8.815 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.882 -9.225 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.165 -7.704 -3.976 1.00 0.00 H new ATOM 0 HG SER A 21 5.884 -7.660 -6.180 1.00 0.00 H new ATOM 268 N ALA A 22 9.238 -7.174 -3.995 1.00 0.00 N ATOM 269 CA ALA A 22 10.591 -7.245 -4.533 1.00 0.00 C ATOM 270 C ALA A 22 11.429 -8.270 -3.776 1.00 0.00 C ATOM 271 O ALA A 22 12.212 -9.009 -4.374 1.00 0.00 O ATOM 272 CB ALA A 22 11.253 -5.876 -4.480 1.00 0.00 C ATOM 0 H ALA A 22 8.892 -6.226 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 22 10.526 -7.564 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.263 -5.944 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.672 -5.168 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.299 -5.534 -3.446 1.00 0.00 H new ATOM 278 N ASP A 23 11.261 -8.307 -2.459 1.00 0.00 N ATOM 279 CA ASP A 23 12.003 -9.242 -1.620 1.00 0.00 C ATOM 280 C ASP A 23 11.088 -10.345 -1.096 1.00 0.00 C ATOM 281 O ASP A 23 10.427 -10.181 -0.070 1.00 0.00 O ATOM 282 CB ASP A 23 12.655 -8.504 -0.450 1.00 0.00 C ATOM 283 CG ASP A 23 13.631 -7.439 -0.909 1.00 0.00 C ATOM 284 OD1 ASP A 23 13.191 -6.296 -1.153 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.836 -7.749 -1.026 1.00 0.00 O ATOM 0 H ASP A 23 10.618 -7.701 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 23 12.782 -9.700 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.880 -8.043 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.176 -9.222 0.183 1.00 0.00 H new ATOM 290 N TYR A 24 11.055 -11.467 -1.807 1.00 0.00 N ATOM 291 CA TYR A 24 10.219 -12.595 -1.415 1.00 0.00 C ATOM 292 C TYR A 24 10.454 -12.966 0.046 1.00 0.00 C ATOM 293 O TYR A 24 9.512 -13.249 0.787 1.00 0.00 O ATOM 294 CB TYR A 24 10.502 -13.802 -2.311 1.00 0.00 C ATOM 295 CG TYR A 24 9.479 -14.907 -2.180 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.205 -14.769 -2.718 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.785 -16.089 -1.517 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.267 -15.775 -2.600 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.853 -17.102 -1.396 1.00 0.00 C ATOM 300 CZ TYR A 24 7.596 -16.940 -1.938 1.00 0.00 C ATOM 301 OH TYR A 24 6.664 -17.946 -1.818 1.00 0.00 O ATOM 0 H TYR A 24 11.597 -11.619 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 24 9.176 -12.300 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.537 -13.473 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.487 -14.200 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.944 -13.859 -3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.768 -16.218 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.281 -15.651 -3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.108 -18.016 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 24 7.055 -18.698 -1.326 1.00 0.00 H new ATOM 311 N LEU A 25 11.718 -12.962 0.454 1.00 0.00 N ATOM 312 CA LEU A 25 12.080 -13.298 1.827 1.00 0.00 C ATOM 313 C LEU A 25 11.637 -12.201 2.790 1.00 0.00 C ATOM 314 O LEU A 25 10.740 -12.405 3.608 1.00 0.00 O ATOM 315 CB LEU A 25 13.591 -13.512 1.940 1.00 0.00 C ATOM 316 CG LEU A 25 14.093 -14.922 1.630 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.488 -15.929 2.596 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.770 -15.300 0.192 1.00 0.00 C ATOM 0 H LEU A 25 12.510 -12.730 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 25 11.568 -14.222 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.088 -12.814 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.900 -13.252 2.952 1.00 0.00 H new ATOM 0 HG LEU A 25 15.176 -14.936 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.857 -16.927 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.771 -15.670 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.402 -15.913 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.135 -16.307 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.691 -15.268 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.252 -14.596 -0.486 1.00 0.00 H new ATOM 330 N ASP A 26 12.271 -11.038 2.686 1.00 0.00 N ATOM 331 CA ASP A 26 11.940 -9.907 3.545 1.00 0.00 C ATOM 332 C ASP A 26 10.432 -9.677 3.584 1.00 0.00 C ATOM 333 O ASP A 26 9.914 -9.042 4.503 1.00 0.00 O ATOM 334 CB ASP A 26 12.649 -8.643 3.057 1.00 0.00 C ATOM 335 CG ASP A 26 12.423 -7.460 3.977 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.271 -7.678 5.198 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.399 -6.316 3.478 1.00 0.00 O ATOM 0 H ASP A 26 13.017 -10.854 2.015 1.00 0.00 H new ATOM 0 HA ASP A 26 12.280 -10.138 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.718 -8.838 2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.294 -8.394 2.057 1.00 0.00 H new ATOM 342 N PHE A 27 9.734 -10.196 2.580 1.00 0.00 N ATOM 343 CA PHE A 27 8.286 -10.045 2.498 1.00 0.00 C ATOM 344 C PHE A 27 7.579 -11.143 3.286 1.00 0.00 C ATOM 345 O PHE A 27 6.868 -10.868 4.253 1.00 0.00 O ATOM 346 CB PHE A 27 7.830 -10.076 1.037 1.00 0.00 C ATOM 347 CG PHE A 27 6.337 -10.083 0.875 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.620 -11.263 0.982 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.651 -8.908 0.615 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.246 -11.273 0.834 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.277 -8.911 0.466 1.00 0.00 C ATOM 352 CZ PHE A 27 3.574 -10.095 0.574 1.00 0.00 C ATOM 0 H PHE A 27 10.147 -10.725 1.812 1.00 0.00 H new ATOM 0 HA PHE A 27 8.021 -9.082 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.240 -9.209 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.244 -10.961 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.141 -12.187 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.196 -7.980 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.699 -12.200 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.753 -7.988 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.501 -10.099 0.455 1.00 0.00 H new ATOM 362 N ARG A 28 7.779 -12.388 2.866 1.00 0.00 N ATOM 363 CA ARG A 28 7.161 -13.528 3.531 1.00 0.00 C ATOM 364 C ARG A 28 7.338 -13.437 5.044 1.00 0.00 C ATOM 365 O ARG A 28 6.479 -13.876 5.807 1.00 0.00 O ATOM 366 CB ARG A 28 7.763 -14.836 3.014 1.00 0.00 C ATOM 367 CG ARG A 28 9.051 -15.233 3.716 1.00 0.00 C ATOM 368 CD ARG A 28 9.461 -16.655 3.367 1.00 0.00 C ATOM 369 NE ARG A 28 10.487 -17.167 4.272 1.00 0.00 N ATOM 370 CZ ARG A 28 10.248 -17.516 5.531 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.024 -17.410 6.031 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.233 -17.974 6.292 1.00 0.00 N ATOM 0 H ARG A 28 8.365 -12.633 2.068 1.00 0.00 H new ATOM 0 HA ARG A 28 6.095 -13.513 3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.032 -15.635 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.956 -14.740 1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.847 -14.544 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.921 -15.145 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.586 -17.304 3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.834 -16.684 2.343 1.00 0.00 H new ATOM 0 HE ARG A 28 11.439 -17.262 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.264 -17.060 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.843 -17.679 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.175 -18.058 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.048 -18.242 7.259 1.00 0.00 H new ATOM 386 N ASN A 29 8.459 -12.864 5.470 1.00 0.00 N ATOM 387 CA ASN A 29 8.750 -12.717 6.891 1.00 0.00 C ATOM 388 C ASN A 29 7.668 -11.895 7.585 1.00 0.00 C ATOM 389 O ASN A 29 7.317 -12.157 8.736 1.00 0.00 O ATOM 390 CB ASN A 29 10.115 -12.053 7.088 1.00 0.00 C ATOM 391 CG ASN A 29 11.263 -13.021 6.876 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.152 -12.690 5.947 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.350 -14.053 7.541 1.00 0.00 N flip ATOM 0 H ASN A 29 9.181 -12.494 4.851 1.00 0.00 H new ATOM 0 HA ASN A 29 8.769 -13.711 7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.214 -11.218 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.173 -11.639 8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.643 -14.267 8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.129 -14.694 7.388 1.00 0.00 H new ATOM 400 N ARG A 30 7.143 -10.900 6.878 1.00 0.00 N ATOM 401 CA ARG A 30 6.101 -10.039 7.425 1.00 0.00 C ATOM 402 C ARG A 30 4.744 -10.736 7.387 1.00 0.00 C ATOM 403 O ARG A 30 3.910 -10.543 8.273 1.00 0.00 O ATOM 404 CB ARG A 30 6.034 -8.725 6.646 1.00 0.00 C ATOM 405 CG ARG A 30 7.387 -8.058 6.458 1.00 0.00 C ATOM 406 CD ARG A 30 8.024 -7.704 7.792 1.00 0.00 C ATOM 407 NE ARG A 30 7.257 -6.692 8.513 1.00 0.00 N ATOM 408 CZ ARG A 30 7.395 -6.452 9.813 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.267 -7.148 10.530 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.661 -5.514 10.397 1.00 0.00 N ATOM 0 H ARG A 30 7.422 -10.670 5.924 1.00 0.00 H new ATOM 0 HA ARG A 30 6.351 -9.824 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.593 -8.915 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.369 -8.037 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.048 -8.724 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.269 -7.155 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.105 -8.602 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.038 -7.340 7.624 1.00 0.00 H new ATOM 0 HE ARG A 30 6.578 -6.139 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.834 -7.869 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.371 -6.962 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.990 -4.976 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.768 -5.331 11.395 1.00 0.00 H new ATOM 424 N LEU A 31 4.530 -11.545 6.355 1.00 0.00 N ATOM 425 CA LEU A 31 3.273 -12.270 6.200 1.00 0.00 C ATOM 426 C LEU A 31 3.213 -13.463 7.149 1.00 0.00 C ATOM 427 O LEU A 31 2.173 -14.107 7.285 1.00 0.00 O ATOM 428 CB LEU A 31 3.110 -12.744 4.755 1.00 0.00 C ATOM 429 CG LEU A 31 1.757 -13.360 4.399 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.722 -12.271 4.159 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.883 -14.257 3.177 1.00 0.00 C ATOM 0 H LEU A 31 5.210 -11.715 5.614 1.00 0.00 H new ATOM 0 HA LEU A 31 2.457 -11.591 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.286 -11.896 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.888 -13.478 4.545 1.00 0.00 H new ATOM 0 HG LEU A 31 1.425 -13.970 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.235 -12.728 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.610 -11.670 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.048 -11.634 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.910 -14.686 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.238 -13.670 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.592 -15.058 3.385 1.00 0.00 H new ATOM 443 N GLN A 32 4.334 -13.750 7.803 1.00 0.00 N ATOM 444 CA GLN A 32 4.407 -14.864 8.740 1.00 0.00 C ATOM 445 C GLN A 32 4.434 -14.364 10.180 1.00 0.00 C ATOM 446 O GLN A 32 3.930 -15.025 11.087 1.00 0.00 O ATOM 447 CB GLN A 32 5.648 -15.714 8.459 1.00 0.00 C ATOM 448 CG GLN A 32 5.842 -16.853 9.447 1.00 0.00 C ATOM 449 CD GLN A 32 6.984 -17.772 9.061 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.027 -17.793 9.715 1.00 0.00 O ATOM 451 NE2 GLN A 32 6.793 -18.537 7.993 1.00 0.00 N ATOM 0 H GLN A 32 5.203 -13.227 7.701 1.00 0.00 H new ATOM 0 HA GLN A 32 3.517 -15.478 8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.576 -16.126 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.529 -15.073 8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.031 -16.441 10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.921 -17.432 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.912 -18.487 7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.527 -19.175 7.685 1.00 0.00 H new ATOM 460 N ALA A 33 5.027 -13.192 10.383 1.00 0.00 N ATOM 461 CA ALA A 33 5.119 -12.602 11.713 1.00 0.00 C ATOM 462 C ALA A 33 3.936 -11.679 11.987 1.00 0.00 C ATOM 463 O ALA A 33 3.530 -11.498 13.135 1.00 0.00 O ATOM 464 CB ALA A 33 6.429 -11.844 11.865 1.00 0.00 C ATOM 0 H ALA A 33 5.451 -12.632 9.643 1.00 0.00 H new ATOM 0 HA ALA A 33 5.093 -13.410 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.484 -11.409 12.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.265 -12.529 11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.479 -11.050 11.120 1.00 0.00 H new ATOM 470 N ASP A 34 3.388 -11.097 10.926 1.00 0.00 N ATOM 471 CA ASP A 34 2.251 -10.192 11.052 1.00 0.00 C ATOM 472 C ASP A 34 0.997 -10.806 10.438 1.00 0.00 C ATOM 473 O ASP A 34 -0.117 -10.340 10.679 1.00 0.00 O ATOM 474 CB ASP A 34 2.560 -8.854 10.380 1.00 0.00 C ATOM 475 CG ASP A 34 1.783 -7.705 10.992 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.397 -7.813 12.175 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.560 -6.698 10.287 1.00 0.00 O ATOM 0 H ASP A 34 3.713 -11.236 9.969 1.00 0.00 H new ATOM 0 HA ASP A 34 2.069 -10.023 12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.628 -8.649 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.326 -8.922 9.318 1.00 0.00 H new ATOM 482 N HIS A 35 1.186 -11.854 9.642 1.00 0.00 N ATOM 483 CA HIS A 35 0.070 -12.532 8.993 1.00 0.00 C ATOM 484 C HIS A 35 -0.614 -11.611 7.988 1.00 0.00 C ATOM 485 O HIS A 35 -1.810 -11.743 7.723 1.00 0.00 O ATOM 486 CB HIS A 35 -0.941 -13.010 10.036 1.00 0.00 C ATOM 487 CG HIS A 35 -0.307 -13.547 11.282 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.053 -12.927 12.430 1.00 0.00 N flip ATOM 489 CD2 HIS A 35 0.029 -14.874 11.443 1.00 0.00 C flip ATOM 490 CE1 HIS A 35 0.593 -13.881 13.256 1.00 0.00 C flip ATOM 491 NE2 HIS A 35 0.567 -15.048 12.637 1.00 0.00 N flip ATOM 0 H HIS A 35 2.101 -12.252 9.431 1.00 0.00 H new ATOM 0 HA HIS A 35 0.463 -13.396 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.597 -12.181 10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.568 -13.785 9.594 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.057 -11.935 12.642 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.124 -15.650 10.708 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.977 -13.706 14.250 1.00 0.00 H new ATOM 499 N VAL A 36 0.151 -10.678 7.431 1.00 0.00 N ATOM 500 CA VAL A 36 -0.382 -9.735 6.455 1.00 0.00 C ATOM 501 C VAL A 36 0.722 -8.850 5.886 1.00 0.00 C ATOM 502 O VAL A 36 1.659 -8.477 6.593 1.00 0.00 O ATOM 503 CB VAL A 36 -1.472 -8.841 7.075 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.917 -8.065 8.260 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.045 -7.896 6.029 1.00 0.00 C ATOM 0 H VAL A 36 1.142 -10.555 7.639 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.821 -10.326 5.651 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.279 -9.479 7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.702 -7.439 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.560 -8.763 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.091 -7.436 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.814 -7.272 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.250 -7.263 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.483 -8.475 5.216 1.00 0.00 H new ATOM 515 N CYS A 37 0.605 -8.517 4.606 1.00 0.00 N ATOM 516 CA CYS A 37 1.594 -7.675 3.941 1.00 0.00 C ATOM 517 C CYS A 37 1.134 -7.304 2.535 1.00 0.00 C ATOM 518 O CYS A 37 0.582 -8.133 1.811 1.00 0.00 O ATOM 519 CB CYS A 37 2.943 -8.392 3.877 1.00 0.00 C ATOM 520 SG CYS A 37 4.313 -7.340 3.340 1.00 0.00 S ATOM 0 H CYS A 37 -0.165 -8.817 4.007 1.00 0.00 H new ATOM 0 HA CYS A 37 1.705 -6.759 4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.174 -8.797 4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.860 -9.239 3.196 1.00 0.00 H new ATOM 0 HG CYS A 37 4.775 -7.775 2.205 1.00 0.00 H new ATOM 526 N LEU A 38 1.364 -6.052 2.155 1.00 0.00 N ATOM 527 CA LEU A 38 0.972 -5.568 0.836 1.00 0.00 C ATOM 528 C LEU A 38 1.905 -6.111 -0.242 1.00 0.00 C ATOM 529 O LEU A 38 3.115 -5.896 -0.194 1.00 0.00 O ATOM 530 CB LEU A 38 0.978 -4.039 0.808 1.00 0.00 C ATOM 531 CG LEU A 38 1.009 -3.392 -0.577 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.388 -3.345 -1.175 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.606 -1.995 -0.500 1.00 0.00 C ATOM 0 H LEU A 38 1.820 -5.353 2.742 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.038 -5.924 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.092 -3.683 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.844 -3.689 1.370 1.00 0.00 H new ATOM 0 HG LEU A 38 1.640 -3.999 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.346 -2.881 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.779 -4.358 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.042 -2.761 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.620 -1.550 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.002 -1.378 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.624 -2.055 -0.115 1.00 0.00 H new ATOM 545 N GLU A 39 1.332 -6.814 -1.214 1.00 0.00 N ATOM 546 CA GLU A 39 2.113 -7.386 -2.305 1.00 0.00 C ATOM 547 C GLU A 39 2.579 -6.299 -3.269 1.00 0.00 C ATOM 548 O GLU A 39 3.750 -5.921 -3.275 1.00 0.00 O ATOM 549 CB GLU A 39 1.289 -8.432 -3.059 1.00 0.00 C ATOM 550 CG GLU A 39 2.031 -9.069 -4.222 1.00 0.00 C ATOM 551 CD GLU A 39 1.388 -10.361 -4.686 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.511 -10.301 -5.574 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.760 -11.432 -4.163 1.00 0.00 O ATOM 0 H GLU A 39 0.331 -7.001 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 39 2.991 -7.867 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.984 -9.213 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.378 -7.964 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.067 -8.366 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.062 -9.266 -3.927 1.00 0.00 H new ATOM 560 N ASN A 40 1.654 -5.801 -4.082 1.00 0.00 N ATOM 561 CA ASN A 40 1.969 -4.758 -5.052 1.00 0.00 C ATOM 562 C ASN A 40 0.968 -3.610 -4.961 1.00 0.00 C ATOM 563 O ASN A 40 -0.195 -3.814 -4.612 1.00 0.00 O ATOM 564 CB ASN A 40 1.974 -5.335 -6.469 1.00 0.00 C ATOM 565 CG ASN A 40 0.588 -5.732 -6.936 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.079 -6.793 -6.573 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.031 -4.881 -7.746 1.00 0.00 N ATOM 0 H ASN A 40 0.680 -6.103 -4.089 1.00 0.00 H new ATOM 0 HA ASN A 40 2.961 -4.370 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.389 -4.598 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.629 -6.206 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.966 -5.095 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.428 -4.013 -8.021 1.00 0.00 H new ATOM 574 N CYS A 41 1.428 -2.405 -5.278 1.00 0.00 N ATOM 575 CA CYS A 41 0.573 -1.224 -5.233 1.00 0.00 C ATOM 576 C CYS A 41 0.829 -0.321 -6.435 1.00 0.00 C ATOM 577 O CYS A 41 1.910 0.251 -6.576 1.00 0.00 O ATOM 578 CB CYS A 41 0.810 -0.448 -3.937 1.00 0.00 C ATOM 579 SG CYS A 41 -0.202 1.042 -3.774 1.00 0.00 S ATOM 0 H CYS A 41 2.388 -2.220 -5.569 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.465 -1.555 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.609 -1.105 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.862 -0.168 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 41 0.068 1.629 -2.646 1.00 0.00 H new ATOM 585 N VAL A 42 -0.172 -0.198 -7.300 1.00 0.00 N ATOM 586 CA VAL A 42 -0.056 0.635 -8.491 1.00 0.00 C ATOM 587 C VAL A 42 -0.852 1.925 -8.339 1.00 0.00 C ATOM 588 O VAL A 42 -1.664 2.063 -7.423 1.00 0.00 O ATOM 589 CB VAL A 42 -0.543 -0.111 -9.748 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.227 -1.410 -9.930 1.00 0.00 C ATOM 591 CG2 VAL A 42 -2.038 -0.376 -9.663 1.00 0.00 C ATOM 0 H VAL A 42 -1.073 -0.665 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 42 1.001 0.875 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.357 0.519 -10.618 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.131 -1.923 -10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.289 -1.191 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.075 -2.048 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.366 -0.904 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.250 -0.986 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.572 0.571 -9.584 1.00 0.00 H new ATOM 601 N LEU A 43 -0.616 2.870 -9.243 1.00 0.00 N ATOM 602 CA LEU A 43 -1.312 4.151 -9.210 1.00 0.00 C ATOM 603 C LEU A 43 -1.892 4.491 -10.580 1.00 0.00 C ATOM 604 O LEU A 43 -1.201 4.413 -11.596 1.00 0.00 O ATOM 605 CB LEU A 43 -0.360 5.260 -8.758 1.00 0.00 C ATOM 606 CG LEU A 43 -0.999 6.428 -8.006 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.003 7.049 -7.039 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.518 7.472 -8.984 1.00 0.00 C ATOM 0 H LEU A 43 0.052 2.773 -10.008 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.133 4.072 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.404 4.817 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.149 5.655 -9.637 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.843 6.047 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.475 7.879 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.320 6.299 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.861 7.416 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.969 8.296 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.691 7.849 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.265 7.020 -9.636 1.00 0.00 H new ATOM 620 N LYS A 44 -3.165 4.870 -10.600 1.00 0.00 N ATOM 621 CA LYS A 44 -3.839 5.226 -11.843 1.00 0.00 C ATOM 622 C LYS A 44 -4.400 6.642 -11.772 1.00 0.00 C ATOM 623 O LYS A 44 -4.179 7.360 -10.796 1.00 0.00 O ATOM 624 CB LYS A 44 -4.966 4.233 -12.138 1.00 0.00 C ATOM 625 CG LYS A 44 -4.532 2.780 -12.061 1.00 0.00 C ATOM 626 CD LYS A 44 -4.725 2.214 -10.664 1.00 0.00 C ATOM 627 CE LYS A 44 -6.155 1.741 -10.447 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.021 2.825 -9.907 1.00 0.00 N ATOM 0 H LYS A 44 -3.752 4.939 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.106 5.185 -12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.779 4.399 -11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.363 4.432 -13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.105 2.190 -12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.483 2.697 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.038 1.382 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.476 2.975 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.567 1.383 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.158 0.897 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.434 2.521 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.452 3.682 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.784 3.030 -10.584 1.00 0.00 H new ATOM 642 N ASP A 45 -5.128 7.038 -12.810 1.00 0.00 N ATOM 643 CA ASP A 45 -5.724 8.368 -12.864 1.00 0.00 C ATOM 644 C ASP A 45 -6.652 8.596 -11.675 1.00 0.00 C ATOM 645 O ASP A 45 -7.678 7.929 -11.537 1.00 0.00 O ATOM 646 CB ASP A 45 -6.495 8.552 -14.172 1.00 0.00 C ATOM 647 CG ASP A 45 -5.798 7.902 -15.351 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.653 8.295 -15.654 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.400 7.000 -15.972 1.00 0.00 O ATOM 0 H ASP A 45 -5.320 6.457 -13.626 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.919 9.102 -12.820 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.493 8.128 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.621 9.617 -14.370 1.00 0.00 H new ATOM 654 N LYS A 46 -6.285 9.543 -10.818 1.00 0.00 N ATOM 655 CA LYS A 46 -7.084 9.860 -9.640 1.00 0.00 C ATOM 656 C LYS A 46 -7.626 8.590 -8.991 1.00 0.00 C ATOM 657 O LYS A 46 -8.751 8.568 -8.493 1.00 0.00 O ATOM 658 CB LYS A 46 -8.242 10.786 -10.018 1.00 0.00 C ATOM 659 CG LYS A 46 -7.793 12.119 -10.592 1.00 0.00 C ATOM 660 CD LYS A 46 -7.573 13.151 -9.499 1.00 0.00 C ATOM 661 CE LYS A 46 -6.147 13.110 -8.972 1.00 0.00 C ATOM 662 NZ LYS A 46 -5.804 14.339 -8.204 1.00 0.00 N ATOM 0 H LYS A 46 -5.439 10.104 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.440 10.367 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.877 10.281 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.854 10.968 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.870 11.981 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.543 12.485 -11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.790 14.146 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.270 12.970 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.021 12.236 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.455 12.998 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.824 14.272 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.900 15.171 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.448 14.433 -7.393 1.00 0.00 H new ATOM 676 N ALA A 47 -6.817 7.536 -9.000 1.00 0.00 N ATOM 677 CA ALA A 47 -7.215 6.264 -8.409 1.00 0.00 C ATOM 678 C ALA A 47 -6.000 5.386 -8.127 1.00 0.00 C ATOM 679 O ALA A 47 -4.921 5.609 -8.677 1.00 0.00 O ATOM 680 CB ALA A 47 -8.191 5.539 -9.324 1.00 0.00 C ATOM 0 H ALA A 47 -5.883 7.537 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.709 6.471 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.480 4.591 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.078 6.155 -9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.716 5.351 -10.287 1.00 0.00 H new ATOM 686 N ILE A 48 -6.183 4.389 -7.268 1.00 0.00 N ATOM 687 CA ILE A 48 -5.101 3.478 -6.914 1.00 0.00 C ATOM 688 C ILE A 48 -5.600 2.040 -6.828 1.00 0.00 C ATOM 689 O ILE A 48 -6.797 1.795 -6.683 1.00 0.00 O ATOM 690 CB ILE A 48 -4.455 3.867 -5.572 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.307 3.363 -4.405 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.273 5.375 -5.488 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.789 3.790 -3.050 1.00 0.00 C ATOM 0 H ILE A 48 -7.070 4.191 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.353 3.554 -7.703 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.473 3.398 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.327 3.728 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.351 2.275 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.815 5.634 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.629 5.710 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.244 5.864 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.442 3.397 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.780 3.403 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.771 4.878 -2.994 1.00 0.00 H new ATOM 705 N ALA A 49 -4.673 1.092 -6.915 1.00 0.00 N ATOM 706 CA ALA A 49 -5.018 -0.323 -6.843 1.00 0.00 C ATOM 707 C ALA A 49 -3.866 -1.140 -6.268 1.00 0.00 C ATOM 708 O ALA A 49 -2.720 -1.000 -6.692 1.00 0.00 O ATOM 709 CB ALA A 49 -5.401 -0.844 -8.220 1.00 0.00 C ATOM 0 H ALA A 49 -3.677 1.278 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.873 -0.429 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.656 -1.901 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.260 -0.287 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.561 -0.717 -8.903 1.00 0.00 H new ATOM 715 N GLY A 50 -4.179 -1.994 -5.298 1.00 0.00 N ATOM 716 CA GLY A 50 -3.158 -2.820 -4.680 1.00 0.00 C ATOM 717 C GLY A 50 -3.724 -4.098 -4.092 1.00 0.00 C ATOM 718 O GLY A 50 -4.909 -4.168 -3.763 1.00 0.00 O ATOM 0 H GLY A 50 -5.121 -2.128 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.399 -3.070 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.661 -2.251 -3.894 1.00 0.00 H new ATOM 722 N THR A 51 -2.877 -5.113 -3.959 1.00 0.00 N ATOM 723 CA THR A 51 -3.299 -6.395 -3.410 1.00 0.00 C ATOM 724 C THR A 51 -2.632 -6.664 -2.066 1.00 0.00 C ATOM 725 O THR A 51 -1.421 -6.499 -1.919 1.00 0.00 O ATOM 726 CB THR A 51 -2.975 -7.553 -4.373 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.598 -7.496 -4.762 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.860 -7.493 -5.608 1.00 0.00 C ATOM 0 H THR A 51 -1.893 -5.072 -4.224 1.00 0.00 H new ATOM 0 HA THR A 51 -4.379 -6.339 -3.272 1.00 0.00 H new ATOM 0 HB THR A 51 -3.166 -8.492 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.516 -6.999 -5.603 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.613 -8.320 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.906 -7.567 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.696 -6.549 -6.127 1.00 0.00 H new ATOM 736 N VAL A 52 -3.429 -7.081 -1.088 1.00 0.00 N ATOM 737 CA VAL A 52 -2.914 -7.376 0.245 1.00 0.00 C ATOM 738 C VAL A 52 -2.851 -8.879 0.490 1.00 0.00 C ATOM 739 O VAL A 52 -3.764 -9.619 0.120 1.00 0.00 O ATOM 740 CB VAL A 52 -3.782 -6.724 1.338 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.269 -7.098 2.720 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.813 -5.213 1.163 1.00 0.00 C ATOM 0 H VAL A 52 -4.434 -7.222 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.907 -6.961 0.295 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.801 -7.099 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.894 -6.629 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.303 -8.181 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.241 -6.753 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.431 -4.769 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.800 -4.818 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.231 -4.968 0.187 1.00 0.00 H new ATOM 752 N LYS A 53 -1.769 -9.326 1.117 1.00 0.00 N ATOM 753 CA LYS A 53 -1.586 -10.742 1.414 1.00 0.00 C ATOM 754 C LYS A 53 -2.040 -11.062 2.834 1.00 0.00 C ATOM 755 O LYS A 53 -2.043 -10.194 3.707 1.00 0.00 O ATOM 756 CB LYS A 53 -0.118 -11.136 1.236 1.00 0.00 C ATOM 757 CG LYS A 53 0.288 -11.332 -0.215 1.00 0.00 C ATOM 758 CD LYS A 53 -0.750 -12.136 -0.980 1.00 0.00 C ATOM 759 CE LYS A 53 -1.732 -11.231 -1.706 1.00 0.00 C ATOM 760 NZ LYS A 53 -1.156 -10.685 -2.966 1.00 0.00 N ATOM 0 H LYS A 53 -1.004 -8.728 1.430 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.197 -11.316 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.513 -10.366 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.071 -12.058 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.421 -10.361 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.250 -11.843 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.251 -12.785 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.292 -12.783 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.640 -11.789 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.019 -10.408 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.424 -9.685 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.119 -10.765 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.522 -11.224 -3.777 1.00 0.00 H new ATOM 774 N VAL A 54 -2.423 -12.315 3.059 1.00 0.00 N ATOM 775 CA VAL A 54 -2.877 -12.751 4.375 1.00 0.00 C ATOM 776 C VAL A 54 -2.572 -14.228 4.600 1.00 0.00 C ATOM 777 O VAL A 54 -2.404 -14.989 3.647 1.00 0.00 O ATOM 778 CB VAL A 54 -4.389 -12.518 4.552 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.735 -11.055 4.319 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.180 -13.417 3.614 1.00 0.00 C ATOM 0 H VAL A 54 -2.428 -13.046 2.348 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.336 -12.155 5.110 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.660 -12.772 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.807 -10.910 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.196 -10.435 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.450 -10.771 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.246 -13.239 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.906 -13.197 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.955 -14.461 3.834 1.00 0.00 H new ATOM 790 N GLN A 55 -2.502 -14.625 5.866 1.00 0.00 N ATOM 791 CA GLN A 55 -2.217 -16.012 6.216 1.00 0.00 C ATOM 792 C GLN A 55 -3.507 -16.808 6.382 1.00 0.00 C ATOM 793 O GLN A 55 -4.538 -16.262 6.771 1.00 0.00 O ATOM 794 CB GLN A 55 -1.395 -16.076 7.505 1.00 0.00 C ATOM 795 CG GLN A 55 0.105 -15.975 7.276 1.00 0.00 C ATOM 796 CD GLN A 55 0.742 -17.318 6.980 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.058 -18.278 6.623 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.059 -17.394 7.129 1.00 0.00 N ATOM 0 H GLN A 55 -2.638 -14.007 6.666 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.641 -16.454 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.708 -15.268 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.613 -17.012 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.297 -15.295 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.575 -15.541 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.587 -16.573 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.543 -18.273 6.946 1.00 0.00 H new ATOM 807 N ASN A 56 -3.441 -18.101 6.083 1.00 0.00 N ATOM 808 CA ASN A 56 -4.604 -18.973 6.198 1.00 0.00 C ATOM 809 C ASN A 56 -4.810 -19.418 7.643 1.00 0.00 C ATOM 810 O ASN A 56 -4.959 -20.609 7.922 1.00 0.00 O ATOM 811 CB ASN A 56 -4.443 -20.196 5.293 1.00 0.00 C ATOM 812 CG ASN A 56 -3.784 -19.854 3.971 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.458 -19.932 3.934 1.00 0.00 O flip ATOM 814 ND2 ASN A 56 -4.458 -19.525 2.995 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.594 -18.568 5.759 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.482 -18.409 5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.848 -20.950 5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.422 -20.637 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.474 -19.479 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.000 -19.299 2.112 1.00 0.00 H new ATOM 821 N LEU A 57 -4.817 -18.455 8.558 1.00 0.00 N ATOM 822 CA LEU A 57 -5.005 -18.747 9.974 1.00 0.00 C ATOM 823 C LEU A 57 -6.445 -19.163 10.259 1.00 0.00 C ATOM 824 O LEU A 57 -6.695 -20.238 10.802 1.00 0.00 O ATOM 825 CB LEU A 57 -4.638 -17.527 10.820 1.00 0.00 C ATOM 826 CG LEU A 57 -3.347 -16.804 10.431 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.269 -15.448 11.114 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.135 -17.653 10.784 1.00 0.00 C ATOM 0 H LEU A 57 -4.695 -17.465 8.344 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.348 -19.576 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.460 -16.813 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.555 -17.843 11.860 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.352 -16.644 9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.344 -14.948 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.121 -14.839 10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.286 -15.584 12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.225 -17.124 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.125 -17.844 11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.186 -18.600 10.248 1.00 0.00 H new ATOM 840 N ALA A 58 -7.388 -18.304 9.886 1.00 0.00 N ATOM 841 CA ALA A 58 -8.803 -18.583 10.096 1.00 0.00 C ATOM 842 C ALA A 58 -9.564 -18.591 8.775 1.00 0.00 C ATOM 843 O ALA A 58 -9.210 -17.873 7.839 1.00 0.00 O ATOM 844 CB ALA A 58 -9.406 -17.562 11.049 1.00 0.00 C ATOM 0 H ALA A 58 -7.197 -17.408 9.437 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.890 -19.575 10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.463 -17.782 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.888 -17.608 12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.299 -16.563 10.627 1.00 0.00 H new ATOM 850 N PHE A 59 -10.610 -19.408 8.705 1.00 0.00 N ATOM 851 CA PHE A 59 -11.420 -19.510 7.496 1.00 0.00 C ATOM 852 C PHE A 59 -11.963 -18.144 7.088 1.00 0.00 C ATOM 853 O PHE A 59 -11.772 -17.702 5.956 1.00 0.00 O ATOM 854 CB PHE A 59 -12.577 -20.487 7.714 1.00 0.00 C ATOM 855 CG PHE A 59 -12.179 -21.732 8.454 1.00 0.00 C ATOM 856 CD1 PHE A 59 -11.382 -22.690 7.847 1.00 0.00 C ATOM 857 CD2 PHE A 59 -12.600 -21.944 9.757 1.00 0.00 C ATOM 858 CE1 PHE A 59 -11.015 -23.837 8.526 1.00 0.00 C ATOM 859 CE2 PHE A 59 -12.236 -23.089 10.441 1.00 0.00 C ATOM 860 CZ PHE A 59 -11.442 -24.036 9.825 1.00 0.00 C ATOM 0 H PHE A 59 -10.917 -20.009 9.470 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.784 -19.883 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.369 -19.982 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.993 -20.767 6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.044 -22.539 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.220 -21.206 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.395 -24.577 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -12.572 -23.243 11.456 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.155 -24.931 10.358 1.00 0.00 H new ATOM 870 N GLU A 60 -12.642 -17.481 8.020 1.00 0.00 N ATOM 871 CA GLU A 60 -13.214 -16.166 7.757 1.00 0.00 C ATOM 872 C GLU A 60 -12.254 -15.060 8.184 1.00 0.00 C ATOM 873 O GLU A 60 -11.881 -14.962 9.353 1.00 0.00 O ATOM 874 CB GLU A 60 -14.548 -16.010 8.490 1.00 0.00 C ATOM 875 CG GLU A 60 -15.568 -17.078 8.131 1.00 0.00 C ATOM 876 CD GLU A 60 -16.801 -17.026 9.012 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.671 -17.276 10.229 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.896 -16.735 8.486 1.00 0.00 O ATOM 0 H GLU A 60 -12.809 -17.833 8.963 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.385 -16.080 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.368 -16.038 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.966 -15.029 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.865 -16.956 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.105 -18.061 8.218 1.00 0.00 H new ATOM 885 N LYS A 61 -11.857 -14.227 7.227 1.00 0.00 N ATOM 886 CA LYS A 61 -10.941 -13.126 7.502 1.00 0.00 C ATOM 887 C LYS A 61 -11.539 -11.797 7.052 1.00 0.00 C ATOM 888 O LYS A 61 -12.612 -11.758 6.449 1.00 0.00 O ATOM 889 CB LYS A 61 -9.603 -13.361 6.797 1.00 0.00 C ATOM 890 CG LYS A 61 -9.747 -13.824 5.358 1.00 0.00 C ATOM 891 CD LYS A 61 -8.498 -14.542 4.876 1.00 0.00 C ATOM 892 CE LYS A 61 -8.574 -16.037 5.148 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.563 -16.712 4.262 1.00 0.00 N ATOM 0 H LYS A 61 -12.156 -14.294 6.254 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.775 -13.084 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.024 -12.437 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.034 -14.105 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.606 -14.490 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.945 -12.965 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.369 -14.372 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.622 -14.125 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.591 -16.483 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.847 -16.203 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.351 -17.076 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.927 -16.031 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.103 -17.502 3.766 1.00 0.00 H new ATOM 907 N THR A 62 -10.836 -10.707 7.347 1.00 0.00 N ATOM 908 CA THR A 62 -11.296 -9.376 6.973 1.00 0.00 C ATOM 909 C THR A 62 -10.133 -8.498 6.525 1.00 0.00 C ATOM 910 O THR A 62 -9.176 -8.290 7.271 1.00 0.00 O ATOM 911 CB THR A 62 -12.027 -8.686 8.140 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.220 -9.407 8.466 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.378 -7.249 7.784 1.00 0.00 C ATOM 0 H THR A 62 -9.945 -10.721 7.844 1.00 0.00 H new ATOM 0 HA THR A 62 -11.991 -9.503 6.143 1.00 0.00 H new ATOM 0 HB THR A 62 -11.361 -8.678 9.003 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.678 -8.963 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.894 -6.782 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.465 -6.695 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.027 -7.239 6.908 1.00 0.00 H new ATOM 921 N VAL A 63 -10.222 -7.984 5.302 1.00 0.00 N ATOM 922 CA VAL A 63 -9.178 -7.126 4.756 1.00 0.00 C ATOM 923 C VAL A 63 -9.753 -5.798 4.277 1.00 0.00 C ATOM 924 O VAL A 63 -10.631 -5.763 3.415 1.00 0.00 O ATOM 925 CB VAL A 63 -8.446 -7.809 3.585 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.453 -6.851 2.945 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.750 -9.075 4.058 1.00 0.00 C ATOM 0 H VAL A 63 -11.007 -8.147 4.671 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.467 -6.941 5.561 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.182 -8.088 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.945 -7.351 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.983 -5.976 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.718 -6.539 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.238 -9.544 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.024 -8.824 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.488 -9.766 4.465 1.00 0.00 H new ATOM 937 N LYS A 64 -9.250 -4.704 4.840 1.00 0.00 N ATOM 938 CA LYS A 64 -9.711 -3.371 4.471 1.00 0.00 C ATOM 939 C LYS A 64 -8.570 -2.362 4.540 1.00 0.00 C ATOM 940 O LYS A 64 -7.790 -2.358 5.493 1.00 0.00 O ATOM 941 CB LYS A 64 -10.853 -2.931 5.390 1.00 0.00 C ATOM 942 CG LYS A 64 -12.109 -3.773 5.247 1.00 0.00 C ATOM 943 CD LYS A 64 -12.926 -3.777 6.527 1.00 0.00 C ATOM 944 CE LYS A 64 -14.207 -4.582 6.368 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.048 -4.535 7.597 1.00 0.00 N ATOM 0 H LYS A 64 -8.522 -4.715 5.554 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.075 -3.411 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.513 -2.974 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.098 -1.890 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.716 -3.387 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.835 -4.795 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.331 -4.195 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.171 -2.752 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.777 -4.195 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.959 -5.618 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.911 -5.095 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.514 -4.928 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.307 -3.549 7.803 1.00 0.00 H new ATOM 959 N ILE A 65 -8.479 -1.508 3.527 1.00 0.00 N ATOM 960 CA ILE A 65 -7.434 -0.493 3.475 1.00 0.00 C ATOM 961 C ILE A 65 -7.920 0.827 4.065 1.00 0.00 C ATOM 962 O ILE A 65 -9.048 1.252 3.815 1.00 0.00 O ATOM 963 CB ILE A 65 -6.954 -0.251 2.032 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.363 -1.535 1.446 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.931 0.875 1.995 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.002 -1.883 2.007 1.00 0.00 C ATOM 0 H ILE A 65 -9.116 -1.498 2.731 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.600 -0.869 4.068 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.810 0.043 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.048 -2.361 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.285 -1.429 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.602 1.034 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.383 1.790 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.074 0.609 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.644 -2.804 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.303 -1.075 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.078 -2.021 3.086 1.00 0.00 H new ATOM 978 N ARG A 66 -7.061 1.471 4.848 1.00 0.00 N ATOM 979 CA ARG A 66 -7.403 2.743 5.473 1.00 0.00 C ATOM 980 C ARG A 66 -6.421 3.834 5.057 1.00 0.00 C ATOM 981 O ARG A 66 -5.323 3.937 5.605 1.00 0.00 O ATOM 982 CB ARG A 66 -7.410 2.602 6.996 1.00 0.00 C ATOM 983 CG ARG A 66 -8.581 1.791 7.527 1.00 0.00 C ATOM 984 CD ARG A 66 -8.384 1.419 8.989 1.00 0.00 C ATOM 985 NE ARG A 66 -8.710 2.527 9.884 1.00 0.00 N ATOM 986 CZ ARG A 66 -9.047 2.366 11.159 1.00 0.00 C ATOM 987 NH1 ARG A 66 -9.101 1.151 11.686 1.00 0.00 N ATOM 988 NH2 ARG A 66 -9.329 3.423 11.910 1.00 0.00 N ATOM 0 H ARG A 66 -6.123 1.133 5.065 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.400 3.028 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.479 2.131 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.434 3.595 7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.502 2.364 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.697 0.885 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.010 0.560 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.350 1.115 9.150 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.677 3.475 9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.883 0.336 11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.360 1.031 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.287 4.360 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.588 3.299 12.889 1.00 0.00 H new ATOM 1002 N MET A 67 -6.823 4.646 4.085 1.00 0.00 N ATOM 1003 CA MET A 67 -5.978 5.730 3.597 1.00 0.00 C ATOM 1004 C MET A 67 -6.562 7.088 3.976 1.00 0.00 C ATOM 1005 O MET A 67 -7.779 7.273 3.978 1.00 0.00 O ATOM 1006 CB MET A 67 -5.819 5.637 2.078 1.00 0.00 C ATOM 1007 CG MET A 67 -4.892 6.693 1.498 1.00 0.00 C ATOM 1008 SD MET A 67 -4.041 6.129 0.012 1.00 0.00 S ATOM 1009 CE MET A 67 -5.319 6.364 -1.220 1.00 0.00 C ATOM 0 H MET A 67 -7.728 4.574 3.620 1.00 0.00 H new ATOM 0 HA MET A 67 -4.998 5.632 4.065 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.437 4.649 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.800 5.731 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.468 7.588 1.264 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.155 6.976 2.249 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.860 6.601 -2.180 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.906 5.450 -1.314 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.970 7.184 -0.917 1.00 0.00 H new ATOM 1019 N THR A 68 -5.686 8.035 4.298 1.00 0.00 N ATOM 1020 CA THR A 68 -6.115 9.374 4.680 1.00 0.00 C ATOM 1021 C THR A 68 -5.498 10.430 3.770 1.00 0.00 C ATOM 1022 O THR A 68 -4.411 10.235 3.224 1.00 0.00 O ATOM 1023 CB THR A 68 -5.739 9.689 6.140 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.362 10.910 6.554 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.230 9.804 6.298 1.00 0.00 C ATOM 0 H THR A 68 -4.675 7.899 4.302 1.00 0.00 H new ATOM 0 HA THR A 68 -7.200 9.399 4.578 1.00 0.00 H new ATOM 0 HB THR A 68 -6.092 8.871 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.540 10.876 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.989 10.027 7.337 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.761 8.863 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.857 10.605 5.659 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.197 11.549 3.610 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.717 12.636 2.765 1.00 0.00 C ATOM 1035 C PHE A 69 -5.630 13.940 3.553 1.00 0.00 C ATOM 1036 O PHE A 69 -5.470 15.016 2.978 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.639 12.817 1.558 1.00 0.00 C ATOM 1038 CG PHE A 69 -6.955 11.533 0.846 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.049 10.769 1.220 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.158 11.089 -0.196 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.341 9.586 0.567 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.445 9.908 -0.853 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.539 9.156 -0.472 1.00 0.00 C ATOM 0 H PHE A 69 -7.098 11.727 4.054 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.718 12.376 2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.570 13.278 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.173 13.507 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.680 11.101 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.302 11.673 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.195 8.999 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.815 9.573 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.767 8.234 -0.985 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.736 13.834 4.873 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.669 15.003 5.742 1.00 0.00 C ATOM 1055 C ASP A 70 -4.729 14.754 6.917 1.00 0.00 C ATOM 1056 O ASP A 70 -5.170 14.591 8.056 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.064 15.364 6.256 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.130 16.774 6.810 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -6.063 17.410 6.942 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.248 17.240 7.114 1.00 0.00 O ATOM 0 H ASP A 70 -5.869 12.950 5.365 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.279 15.837 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.785 15.261 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.356 14.657 7.033 1.00 0.00 H new ATOM 1065 N THR A 71 -3.430 14.725 6.634 1.00 0.00 N ATOM 1066 CA THR A 71 -2.428 14.493 7.667 1.00 0.00 C ATOM 1067 C THR A 71 -2.958 13.556 8.747 1.00 0.00 C ATOM 1068 O THR A 71 -2.787 13.810 9.939 1.00 0.00 O ATOM 1069 CB THR A 71 -1.981 15.813 8.322 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.918 16.852 7.339 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.623 15.654 8.988 1.00 0.00 C ATOM 0 H THR A 71 -3.048 14.859 5.698 1.00 0.00 H new ATOM 0 HA THR A 71 -1.571 14.030 7.178 1.00 0.00 H new ATOM 0 HB THR A 71 -2.713 16.080 9.085 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.635 17.688 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.328 16.599 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.683 14.884 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.117 15.365 8.241 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.600 12.474 8.322 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.154 11.499 9.254 1.00 0.00 C ATOM 1081 C TRP A 72 -5.229 12.133 10.130 1.00 0.00 C ATOM 1082 O TRP A 72 -5.178 12.041 11.356 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.045 10.913 10.130 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.121 9.998 9.385 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.842 10.268 8.990 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.406 8.666 8.944 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.314 9.184 8.331 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.253 8.188 8.290 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.521 7.829 9.041 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.187 6.913 7.735 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.454 6.564 8.489 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.294 6.115 7.844 1.00 0.00 C ATOM 0 H TRP A 72 -3.750 12.250 7.338 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.611 10.697 8.674 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.466 11.728 10.564 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.496 10.366 10.958 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.322 11.197 9.169 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.625 9.130 7.936 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.419 8.165 9.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.294 6.566 7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.311 5.910 8.556 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.273 5.120 7.425 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.202 12.775 9.493 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.291 13.424 10.213 1.00 0.00 C ATOM 1105 C LYS A 73 -8.643 12.899 9.742 1.00 0.00 C ATOM 1106 O LYS A 73 -9.564 12.722 10.541 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.226 14.940 10.021 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.048 15.593 10.725 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.371 17.015 11.150 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.265 17.983 9.981 1.00 0.00 C ATOM 1111 NZ LYS A 73 -4.851 18.199 9.566 1.00 0.00 N ATOM 0 H LYS A 73 -6.259 12.860 8.478 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.180 13.194 11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.169 15.161 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.151 15.384 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.774 15.004 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.184 15.598 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.378 17.052 11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.689 17.323 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.836 17.597 9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.712 18.938 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.575 19.180 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.232 17.547 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.758 18.021 8.546 1.00 0.00 H new ATOM 1125 N SER A 74 -8.756 12.650 8.441 1.00 0.00 N ATOM 1126 CA SER A 74 -9.997 12.147 7.864 1.00 0.00 C ATOM 1127 C SER A 74 -9.738 10.907 7.014 1.00 0.00 C ATOM 1128 O SER A 74 -9.478 11.005 5.815 1.00 0.00 O ATOM 1129 CB SER A 74 -10.665 13.230 7.015 1.00 0.00 C ATOM 1130 OG SER A 74 -11.904 12.780 6.496 1.00 0.00 O ATOM 0 H SER A 74 -8.003 12.788 7.767 1.00 0.00 H new ATOM 0 HA SER A 74 -10.664 11.873 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.823 14.124 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.005 13.512 6.195 1.00 0.00 H new ATOM 0 HG SER A 74 -12.311 13.491 5.959 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.810 9.740 7.645 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.580 8.479 6.949 1.00 0.00 C ATOM 1138 C TYR A 75 -10.888 7.717 6.757 1.00 0.00 C ATOM 1139 O TYR A 75 -11.901 8.030 7.384 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.584 7.617 7.727 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.033 7.294 9.134 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.036 6.361 9.367 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.455 7.922 10.230 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.450 6.063 10.651 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.861 7.629 11.518 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.859 6.699 11.723 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.267 6.405 13.004 1.00 0.00 O ATOM 0 H TYR A 75 -10.026 9.641 8.637 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.165 8.705 5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.420 6.686 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.625 8.134 7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.500 5.860 8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.675 8.652 10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.232 5.336 10.815 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.400 8.125 12.359 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.750 6.939 13.643 1.00 0.00 H new ATOM 1157 N THR A 76 -10.858 6.714 5.885 1.00 0.00 N ATOM 1158 CA THR A 76 -12.039 5.907 5.608 1.00 0.00 C ATOM 1159 C THR A 76 -11.660 4.459 5.317 1.00 0.00 C ATOM 1160 O THR A 76 -10.714 4.193 4.576 1.00 0.00 O ATOM 1161 CB THR A 76 -12.835 6.467 4.414 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.234 7.816 4.681 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.065 5.615 4.136 1.00 0.00 C ATOM 0 H THR A 76 -10.028 6.441 5.358 1.00 0.00 H new ATOM 0 HA THR A 76 -12.663 5.944 6.501 1.00 0.00 H new ATOM 0 HB THR A 76 -12.191 6.446 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.738 8.165 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.611 6.030 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.757 4.595 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.709 5.609 5.015 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.404 3.528 5.904 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.146 2.107 5.706 1.00 0.00 C ATOM 1173 C ASP A 77 -12.780 1.615 4.408 1.00 0.00 C ATOM 1174 O ASP A 77 -14.004 1.595 4.272 1.00 0.00 O ATOM 1175 CB ASP A 77 -12.684 1.300 6.888 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.188 1.115 6.827 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -14.918 2.071 7.164 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -14.635 0.015 6.442 1.00 0.00 O ATOM 0 H ASP A 77 -13.190 3.732 6.521 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.067 1.965 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.201 0.323 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.420 1.804 7.818 1.00 0.00 H new ATOM 1183 N PHE A 78 -11.940 1.221 3.457 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.417 0.732 2.169 1.00 0.00 C ATOM 1185 C PHE A 78 -12.423 -0.794 2.135 1.00 0.00 C ATOM 1186 O PHE A 78 -11.440 -1.451 2.478 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.544 1.275 1.037 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.255 2.745 1.155 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.253 3.680 0.932 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -9.986 3.191 1.489 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -11.991 5.033 1.041 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.718 4.542 1.599 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.721 5.464 1.373 1.00 0.00 C ATOM 0 H PHE A 78 -10.925 1.231 3.554 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.439 1.085 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.602 0.728 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.039 1.085 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.247 3.348 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.198 2.474 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.778 5.752 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.725 4.877 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.513 6.521 1.456 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.557 -1.371 1.712 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.719 -2.826 1.623 1.00 0.00 C ATOM 1205 C PRO A 79 -12.877 -3.435 0.507 1.00 0.00 C ATOM 1206 O PRO A 79 -12.884 -2.950 -0.624 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.210 -2.999 1.323 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.614 -1.725 0.665 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.768 -0.650 1.288 1.00 0.00 C ATOM 0 HA PRO A 79 -13.392 -3.329 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.386 -3.855 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.780 -3.171 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.452 -1.774 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.674 -1.525 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.536 0.142 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.273 -0.181 2.133 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.154 -4.501 0.833 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.306 -5.177 -0.142 1.00 0.00 C ATOM 1219 C CYS A 80 -12.045 -6.343 -0.790 1.00 0.00 C ATOM 1220 O CYS A 80 -13.119 -6.737 -0.336 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.024 -5.677 0.526 1.00 0.00 C ATOM 1222 SG CYS A 80 -9.004 -4.367 1.240 1.00 0.00 S ATOM 0 H CYS A 80 -12.138 -4.916 1.765 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.045 -4.459 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.289 -6.385 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.433 -6.223 -0.209 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.749 -4.632 1.032 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.463 -6.889 -1.853 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.069 -8.009 -2.564 1.00 0.00 C ATOM 1230 C GLN A 81 -11.106 -9.188 -2.642 1.00 0.00 C ATOM 1231 O GLN A 81 -9.991 -9.129 -2.122 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.486 -7.580 -3.972 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.687 -6.649 -3.994 1.00 0.00 C ATOM 1234 CD GLN A 81 -15.004 -7.398 -4.045 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.265 -8.156 -4.980 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.844 -7.188 -3.038 1.00 0.00 N ATOM 0 H GLN A 81 -10.573 -6.574 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.954 -8.323 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.644 -7.085 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.715 -8.468 -4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.667 -6.016 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.615 -5.989 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.587 -6.551 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.746 -7.663 -3.019 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.542 -10.259 -3.295 1.00 0.00 N ATOM 1246 CA TYR A 82 -10.720 -11.455 -3.440 1.00 0.00 C ATOM 1247 C TYR A 82 -10.400 -11.722 -4.907 1.00 0.00 C ATOM 1248 O TYR A 82 -11.298 -11.928 -5.724 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.431 -12.665 -2.833 1.00 0.00 C ATOM 1250 CG TYR A 82 -10.823 -13.990 -3.235 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -9.614 -14.413 -2.697 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.456 -14.817 -4.154 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -9.053 -15.622 -3.062 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.903 -16.028 -4.524 1.00 0.00 C ATOM 1255 CZ TYR A 82 -9.702 -16.426 -3.975 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.148 -17.631 -4.341 1.00 0.00 O ATOM 0 H TYR A 82 -12.461 -10.324 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.784 -11.288 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.411 -12.580 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.478 -12.649 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.104 -13.786 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.396 -14.508 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.112 -15.935 -2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.409 -16.660 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.731 -18.075 -4.991 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.112 -11.716 -5.236 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.670 -11.959 -6.604 1.00 0.00 C ATOM 1268 C VAL A 83 -8.956 -13.396 -7.027 1.00 0.00 C ATOM 1269 O VAL A 83 -8.220 -14.317 -6.673 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.165 -11.678 -6.766 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.704 -12.030 -8.173 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -6.857 -10.223 -6.444 1.00 0.00 C ATOM 0 H VAL A 83 -8.356 -11.545 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.230 -11.277 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.618 -12.306 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.638 -11.825 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.888 -13.087 -8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.255 -11.430 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.789 -10.042 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.413 -9.575 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.148 -10.008 -5.416 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.333 -16.977 0.420 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.378 -16.182 -0.215 1.00 0.00 C ATOM 1417 C ASP A 93 -4.849 -14.808 -0.612 1.00 0.00 C ATOM 1418 O ASP A 93 -3.857 -14.329 -0.062 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.575 -16.030 0.725 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.031 -17.357 1.301 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -6.244 -17.985 2.039 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.175 -17.767 1.012 1.00 0.00 O ATOM 0 HA ASP A 93 -5.699 -16.702 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.310 -15.355 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.401 -15.569 0.185 1.00 0.00 H new ATOM 1427 N THR A 94 -5.518 -14.176 -1.572 1.00 0.00 N ATOM 1428 CA THR A 94 -5.115 -12.858 -2.045 1.00 0.00 C ATOM 1429 C THR A 94 -6.307 -11.911 -2.116 1.00 0.00 C ATOM 1430 O THR A 94 -7.377 -12.279 -2.602 1.00 0.00 O ATOM 1431 CB THR A 94 -4.453 -12.937 -3.434 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.244 -13.700 -3.357 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.148 -11.546 -3.968 1.00 0.00 C ATOM 0 H THR A 94 -6.342 -14.557 -2.037 1.00 0.00 H new ATOM 0 HA THR A 94 -4.391 -12.473 -1.327 1.00 0.00 H new ATOM 0 HB THR A 94 -5.148 -13.426 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.830 -13.747 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.681 -11.627 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.074 -10.978 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.470 -11.035 -3.285 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.117 -10.690 -1.628 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.177 -9.689 -1.636 1.00 0.00 C ATOM 1443 C PHE A 95 -6.731 -8.428 -2.370 1.00 0.00 C ATOM 1444 O PHE A 95 -5.561 -8.048 -2.318 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.589 -9.340 -0.204 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.226 -10.483 0.532 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.446 -11.450 1.146 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.605 -10.592 0.610 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.029 -12.503 1.825 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.193 -11.643 1.288 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.404 -12.601 1.895 1.00 0.00 C ATOM 0 H PHE A 95 -5.238 -10.370 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.034 -10.109 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.710 -9.008 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.285 -8.501 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.370 -11.380 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.227 -9.847 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.409 -13.249 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.269 -11.715 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.862 -13.424 2.423 1.00 0.00 H new ATOM 1461 N SER A 96 -7.671 -7.785 -3.055 1.00 0.00 N ATOM 1462 CA SER A 96 -7.374 -6.569 -3.804 1.00 0.00 C ATOM 1463 C SER A 96 -8.147 -5.381 -3.240 1.00 0.00 C ATOM 1464 O SER A 96 -9.065 -5.548 -2.436 1.00 0.00 O ATOM 1465 CB SER A 96 -7.718 -6.760 -5.283 1.00 0.00 C ATOM 1466 OG SER A 96 -7.255 -5.668 -6.059 1.00 0.00 O ATOM 0 H SER A 96 -8.644 -8.085 -3.107 1.00 0.00 H new ATOM 0 HA SER A 96 -6.308 -6.364 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.271 -7.685 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.797 -6.861 -5.399 1.00 0.00 H new ATOM 0 HG SER A 96 -7.485 -5.815 -7.000 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.768 -4.181 -3.666 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.423 -2.963 -3.203 1.00 0.00 C ATOM 1474 C PHE A 97 -8.315 -1.856 -4.248 1.00 0.00 C ATOM 1475 O PHE A 97 -7.259 -1.657 -4.849 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.806 -2.496 -1.883 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.419 -1.940 -2.034 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.216 -0.694 -2.604 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.317 -2.663 -1.605 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.941 -0.180 -2.744 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -4.040 -2.155 -1.742 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.851 -0.911 -2.312 1.00 0.00 C ATOM 0 H PHE A 97 -7.011 -4.026 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.478 -3.186 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.448 -1.734 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.779 -3.334 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.064 -0.118 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.459 -3.636 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.797 0.793 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.190 -2.730 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.854 -0.511 -2.420 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.413 -1.140 -4.458 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.443 -0.053 -5.429 1.00 0.00 C ATOM 1494 C ASP A 98 -10.003 1.221 -4.803 1.00 0.00 C ATOM 1495 O ASP A 98 -11.216 1.371 -4.658 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.282 -0.449 -6.645 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.627 -1.032 -6.255 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.690 -2.249 -5.984 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.615 -0.270 -6.221 1.00 0.00 O ATOM 0 H ASP A 98 -10.295 -1.293 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.420 0.141 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.438 0.426 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.732 -1.178 -7.241 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.110 2.133 -4.432 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.516 3.393 -3.821 1.00 0.00 C ATOM 1506 C ILE A 99 -9.475 4.533 -4.833 1.00 0.00 C ATOM 1507 O ILE A 99 -8.652 4.535 -5.749 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.617 3.752 -2.624 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.710 2.672 -1.545 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -9.007 5.109 -2.057 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.476 2.577 -0.675 1.00 0.00 C ATOM 0 H ILE A 99 -8.102 2.023 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.539 3.259 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.584 3.806 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.575 2.875 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.883 1.707 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.362 5.349 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.893 5.872 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.045 5.080 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.614 1.791 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.611 2.343 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.313 3.529 -0.169 1.00 0.00 H new ATOM 1523 N SER A 100 -10.368 5.502 -4.661 1.00 0.00 N ATOM 1524 CA SER A 100 -10.436 6.647 -5.561 1.00 0.00 C ATOM 1525 C SER A 100 -9.753 7.864 -4.943 1.00 0.00 C ATOM 1526 O SER A 100 -9.995 8.205 -3.785 1.00 0.00 O ATOM 1527 CB SER A 100 -11.893 6.979 -5.890 1.00 0.00 C ATOM 1528 OG SER A 100 -12.598 7.385 -4.730 1.00 0.00 O ATOM 0 H SER A 100 -11.054 5.517 -3.907 1.00 0.00 H new ATOM 0 HA SER A 100 -9.914 6.386 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.929 7.772 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.378 6.106 -6.328 1.00 0.00 H new ATOM 0 HG SER A 100 -11.964 7.723 -4.063 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.899 8.515 -5.725 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.180 9.695 -5.257 1.00 0.00 C ATOM 1536 C LEU A 101 -9.103 10.908 -5.199 1.00 0.00 C ATOM 1537 O LEU A 101 -10.094 11.000 -5.923 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.990 9.988 -6.173 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.882 8.935 -6.192 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.748 9.369 -7.107 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.365 8.680 -4.783 1.00 0.00 C ATOM 0 H LEU A 101 -8.687 8.246 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.814 9.492 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.362 10.113 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.553 10.941 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.298 8.005 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.969 8.607 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.128 9.500 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.333 10.312 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.577 7.928 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.966 9.606 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.181 8.323 -4.155 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.770 11.863 -4.318 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.554 13.090 -4.147 1.00 0.00 C ATOM 1555 C PRO A 102 -9.443 14.022 -5.348 1.00 0.00 C ATOM 1556 O PRO A 102 -8.503 13.924 -6.136 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.932 13.738 -2.908 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.538 13.215 -2.866 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.602 11.820 -3.423 1.00 0.00 C ATOM 0 HA PRO A 102 -10.619 12.882 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.945 14.825 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.482 13.473 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.869 13.841 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.153 13.211 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.691 11.561 -3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.727 11.078 -2.635 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.424 15.637 3.239 1.00 0.00 N ATOM 1688 CA ARG A 110 0.077 14.295 3.511 1.00 0.00 C ATOM 1689 C ARG A 110 -0.947 13.239 3.103 1.00 0.00 C ATOM 1690 O ARG A 110 -2.150 13.423 3.290 1.00 0.00 O ATOM 1691 CB ARG A 110 0.417 14.145 4.995 1.00 0.00 C ATOM 1692 CG ARG A 110 1.487 13.102 5.272 1.00 0.00 C ATOM 1693 CD ARG A 110 2.853 13.564 4.790 1.00 0.00 C ATOM 1694 NE ARG A 110 3.551 14.355 5.800 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.872 14.486 5.847 1.00 0.00 C ATOM 1696 NH1 ARG A 110 5.634 13.882 4.946 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.433 15.224 6.796 1.00 0.00 N ATOM 0 HA ARG A 110 0.982 14.146 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.751 15.108 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.488 13.879 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.528 12.896 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.222 12.167 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.458 12.696 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.736 14.157 3.883 1.00 0.00 H new ATOM 0 HE ARG A 110 2.994 14.833 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.206 13.315 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.648 13.984 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.850 15.691 7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.447 15.324 6.831 1.00 0.00 H new ATOM 1711 N MET A 111 -0.462 12.135 2.546 1.00 0.00 N ATOM 1712 CA MET A 111 -1.335 11.051 2.112 1.00 0.00 C ATOM 1713 C MET A 111 -0.673 9.695 2.341 1.00 0.00 C ATOM 1714 O MET A 111 0.342 9.379 1.721 1.00 0.00 O ATOM 1715 CB MET A 111 -1.692 11.214 0.634 1.00 0.00 C ATOM 1716 CG MET A 111 -2.191 9.934 -0.016 1.00 0.00 C ATOM 1717 SD MET A 111 -2.962 10.224 -1.620 1.00 0.00 S ATOM 1718 CE MET A 111 -1.550 10.759 -2.583 1.00 0.00 C ATOM 0 H MET A 111 0.531 11.967 2.384 1.00 0.00 H new ATOM 0 HA MET A 111 -2.248 11.095 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.458 11.984 0.537 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.814 11.568 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.356 9.244 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 111 -2.910 9.451 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.655 11.817 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.638 10.607 -2.006 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.497 10.179 -3.504 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.255 8.901 3.234 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.719 7.580 3.544 1.00 0.00 C ATOM 1730 C GLU A 112 -1.845 6.588 3.819 1.00 0.00 C ATOM 1731 O GLU A 112 -2.974 6.979 4.113 1.00 0.00 O ATOM 1732 CB GLU A 112 0.216 7.656 4.753 1.00 0.00 C ATOM 1733 CG GLU A 112 1.251 8.764 4.653 1.00 0.00 C ATOM 1734 CD GLU A 112 2.374 8.606 5.660 1.00 0.00 C ATOM 1735 OE1 GLU A 112 3.269 7.767 5.423 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.358 9.319 6.684 1.00 0.00 O ATOM 0 H GLU A 112 -2.096 9.148 3.755 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.155 7.232 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.380 7.807 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.728 6.701 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.669 8.775 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.763 9.727 4.806 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.528 5.301 3.721 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.512 4.251 3.958 1.00 0.00 C ATOM 1745 C PHE A 113 -1.889 3.082 4.716 1.00 0.00 C ATOM 1746 O PHE A 113 -0.697 2.806 4.581 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.095 3.760 2.631 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.239 2.735 1.943 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.170 1.437 2.422 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.504 3.070 0.818 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.384 0.491 1.792 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.716 2.128 0.183 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.655 0.838 0.671 1.00 0.00 C ATOM 0 H PHE A 113 -0.598 4.960 3.479 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.313 4.670 4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.082 3.335 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.232 4.613 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.737 1.161 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.547 4.078 0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.340 -0.518 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.148 2.401 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.038 0.101 0.177 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.704 2.401 5.514 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.234 1.261 6.293 1.00 0.00 C ATOM 1765 C ALA A 114 -3.143 0.052 6.100 1.00 0.00 C ATOM 1766 O ALA A 114 -4.363 0.188 6.008 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.148 1.629 7.767 1.00 0.00 C ATOM 0 H ALA A 114 -3.693 2.618 5.639 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.239 0.995 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.796 0.769 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.452 2.458 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.134 1.923 8.127 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.540 -1.131 6.037 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.296 -2.365 5.855 1.00 0.00 C ATOM 1775 C VAL A 115 -3.831 -2.883 7.185 1.00 0.00 C ATOM 1776 O VAL A 115 -3.093 -2.985 8.166 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.433 -3.459 5.200 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.263 -4.705 4.932 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.802 -2.943 3.916 1.00 0.00 C ATOM 0 H VAL A 115 -1.531 -1.261 6.109 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.133 -2.130 5.197 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.632 -3.726 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.636 -5.467 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.662 -5.086 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.086 -4.457 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.196 -3.730 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.586 -2.646 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.172 -2.083 4.141 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.118 -3.210 7.212 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.753 -3.716 8.422 1.00 0.00 C ATOM 1791 C TYR A 116 -6.319 -5.115 8.197 1.00 0.00 C ATOM 1792 O TYR A 116 -7.419 -5.275 7.668 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.868 -2.770 8.873 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.001 -3.468 9.590 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.780 -4.157 10.776 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.294 -3.437 9.082 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.812 -4.796 11.434 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.333 -4.073 9.734 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.087 -4.751 10.909 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.119 -5.386 11.563 1.00 0.00 O ATOM 0 H TYR A 116 -5.742 -3.133 6.409 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.994 -3.772 9.203 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.445 -2.011 9.532 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.266 -2.250 8.002 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.783 -4.193 11.191 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.490 -2.907 8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.622 -5.328 12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.332 -4.039 9.326 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.952 -5.257 11.063 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.557 -6.126 8.602 1.00 0.00 N ATOM 1811 CA TYR A 117 -5.980 -7.512 8.443 1.00 0.00 C ATOM 1812 C TYR A 117 -6.494 -8.079 9.763 1.00 0.00 C ATOM 1813 O TYR A 117 -5.740 -8.222 10.724 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.820 -8.364 7.926 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.056 -9.852 8.058 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.052 -10.485 7.325 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.281 -10.625 8.914 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.272 -11.844 7.443 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.493 -11.984 9.038 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.489 -12.589 8.301 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.704 -13.943 8.420 1.00 0.00 O ATOM 0 H TYR A 117 -4.644 -6.011 9.042 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.793 -7.537 7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.643 -8.124 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.914 -8.098 8.471 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.665 -9.905 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.499 -10.155 9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.052 -12.320 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.882 -12.570 9.709 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.002 -14.148 9.331 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.783 -8.402 9.799 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.398 -8.954 11.000 1.00 0.00 C ATOM 1833 C GLU A 118 -8.691 -10.442 10.827 1.00 0.00 C ATOM 1834 O GLU A 118 -9.169 -10.873 9.777 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.691 -8.204 11.328 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.009 -8.161 12.813 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.310 -9.533 13.385 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -10.862 -10.375 12.647 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.992 -9.765 14.570 1.00 0.00 O ATOM 0 H GLU A 118 -8.421 -8.291 9.011 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.696 -8.833 11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.615 -7.184 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.519 -8.677 10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.166 -7.725 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.865 -7.507 12.979 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.401 -11.220 11.863 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.631 -12.660 11.827 1.00 0.00 C ATOM 1848 C CYS A 119 -8.358 -13.289 13.189 1.00 0.00 C ATOM 1849 O CYS A 119 -7.617 -12.737 14.001 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.745 -13.312 10.764 1.00 0.00 C ATOM 1851 SG CYS A 119 -6.017 -13.502 11.258 1.00 0.00 S ATOM 0 H CYS A 119 -8.006 -10.878 12.739 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.677 -12.830 11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.152 -14.293 10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.788 -12.714 9.854 1.00 0.00 H new ATOM 0 HG CYS A 119 -5.251 -12.901 10.396 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.964 -14.447 13.432 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.788 -15.150 14.698 1.00 0.00 C ATOM 1859 C ASN A 120 -8.911 -14.189 15.876 1.00 0.00 C ATOM 1860 O ASN A 120 -8.121 -14.242 16.818 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.426 -15.847 14.733 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.476 -17.243 14.144 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.404 -18.008 14.408 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.475 -17.582 13.340 1.00 0.00 N ATOM 0 H ASN A 120 -9.581 -14.918 12.770 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.575 -15.900 14.781 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.700 -15.249 14.182 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.076 -15.903 15.764 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.455 -18.508 12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.726 -16.916 13.149 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.907 -13.311 15.815 1.00 0.00 N ATOM 1872 CA GLY A 121 -10.116 -12.351 16.883 1.00 0.00 C ATOM 1873 C GLY A 121 -8.881 -11.516 17.162 1.00 0.00 C ATOM 1874 O GLY A 121 -8.582 -11.206 18.315 1.00 0.00 O ATOM 0 H GLY A 121 -10.573 -13.247 15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.944 -11.693 16.619 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.406 -12.880 17.791 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.162 -11.154 16.104 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.952 -10.353 16.241 1.00 0.00 C ATOM 1880 C GLN A 122 -6.902 -9.256 15.183 1.00 0.00 C ATOM 1881 O GLN A 122 -7.654 -9.284 14.208 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.712 -11.241 16.132 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.418 -12.035 17.394 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.529 -11.282 18.364 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -5.013 -10.533 19.213 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.222 -11.478 18.243 1.00 0.00 N ATOM 0 H GLN A 122 -8.397 -11.403 15.143 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.968 -9.883 17.224 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.843 -11.933 15.300 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.849 -10.618 15.896 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.357 -12.286 17.888 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.939 -12.976 17.123 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.865 -12.108 17.525 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.574 -10.999 18.868 1.00 0.00 H new ATOM 1895 N THR A 123 -6.011 -8.289 15.381 1.00 0.00 N ATOM 1896 CA THR A 123 -5.864 -7.182 14.444 1.00 0.00 C ATOM 1897 C THR A 123 -4.394 -6.874 14.184 1.00 0.00 C ATOM 1898 O THR A 123 -3.661 -6.485 15.094 1.00 0.00 O ATOM 1899 CB THR A 123 -6.559 -5.910 14.965 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.894 -6.217 15.382 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.593 -4.834 13.890 1.00 0.00 C ATOM 0 H THR A 123 -5.380 -8.250 16.182 1.00 0.00 H new ATOM 0 HA THR A 123 -6.338 -7.491 13.512 1.00 0.00 H new ATOM 0 HB THR A 123 -5.991 -5.534 15.816 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.328 -5.403 15.713 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.088 -3.945 14.281 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.574 -4.582 13.595 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.141 -5.203 13.023 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.969 -7.050 12.938 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.585 -6.792 12.559 1.00 0.00 C ATOM 1911 C TYR A 124 -2.484 -5.552 11.676 1.00 0.00 C ATOM 1912 O TYR A 124 -3.280 -5.366 10.755 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.001 -8.002 11.827 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.230 -9.313 12.545 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.380 -9.728 13.563 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.297 -10.136 12.206 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.585 -10.925 14.221 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.511 -11.334 12.860 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.652 -11.724 13.866 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.860 -12.917 14.520 1.00 0.00 O ATOM 0 H TYR A 124 -4.563 -7.370 12.173 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.012 -6.615 13.469 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.441 -8.061 10.832 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.930 -7.853 11.694 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.545 -9.104 13.845 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.971 -9.834 11.418 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.914 -11.234 15.009 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.346 -11.961 12.585 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.653 -13.358 14.151 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.500 -4.708 11.963 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.294 -3.485 11.196 1.00 0.00 C ATOM 1932 C TRP A 125 0.012 -3.549 10.411 1.00 0.00 C ATOM 1933 O TRP A 125 1.090 -3.679 10.992 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.286 -2.270 12.125 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.638 -1.936 12.678 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.111 -2.232 13.924 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.693 -1.244 12.001 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.396 -1.766 14.063 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.776 -1.155 12.898 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.828 -0.688 10.726 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.975 -0.534 12.557 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.018 -0.073 10.389 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.079 0.001 11.302 1.00 0.00 C ATOM 0 H TRP A 125 -0.832 -4.848 12.721 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.117 -3.386 10.489 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.600 -2.458 12.951 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.901 -1.408 11.580 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.556 -2.756 14.688 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.973 -1.860 14.899 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.016 -0.738 10.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.794 -0.477 13.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.133 0.358 9.405 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -6.996 0.490 11.009 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.091 -3.456 9.090 1.00 0.00 N ATOM 1955 CA ASP A 126 1.082 -3.502 8.226 1.00 0.00 C ATOM 1956 C ASP A 126 1.037 -2.386 7.188 1.00 0.00 C ATOM 1957 O ASP A 126 0.368 -2.506 6.161 1.00 0.00 O ATOM 1958 CB ASP A 126 1.176 -4.860 7.529 1.00 0.00 C ATOM 1959 CG ASP A 126 2.608 -5.264 7.239 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.494 -4.937 8.056 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.844 -5.906 6.193 1.00 0.00 O ATOM 0 H ASP A 126 -0.976 -3.348 8.594 1.00 0.00 H new ATOM 0 HA ASP A 126 1.966 -3.360 8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.707 -5.619 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.615 -4.825 6.595 1.00 0.00 H new ATOM 1966 N SER A 127 1.752 -1.299 7.462 1.00 0.00 N ATOM 1967 CA SER A 127 1.789 -0.159 6.554 1.00 0.00 C ATOM 1968 C SER A 127 3.227 0.274 6.284 1.00 0.00 C ATOM 1969 O SER A 127 3.904 0.800 7.166 1.00 0.00 O ATOM 1970 CB SER A 127 0.994 1.011 7.137 1.00 0.00 C ATOM 1971 OG SER A 127 1.663 1.578 8.250 1.00 0.00 O ATOM 0 H SER A 127 2.313 -1.184 8.306 1.00 0.00 H new ATOM 0 HA SER A 127 1.336 -0.463 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 127 0.847 1.772 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.005 0.668 7.440 1.00 0.00 H new ATOM 0 HG SER A 127 2.575 1.223 8.299 1.00 0.00 H new ATOM 1977 N ASN A 128 3.686 0.047 5.057 1.00 0.00 N ATOM 1978 CA ASN A 128 5.043 0.412 4.669 1.00 0.00 C ATOM 1979 C ASN A 128 6.071 -0.367 5.485 1.00 0.00 C ATOM 1980 O ASN A 128 7.156 0.135 5.778 1.00 0.00 O ATOM 1981 CB ASN A 128 5.262 1.915 4.854 1.00 0.00 C ATOM 1982 CG ASN A 128 6.691 2.332 4.564 1.00 0.00 C ATOM 1983 OD1 ASN A 128 7.440 1.606 3.909 1.00 0.00 O ATOM 1984 ND2 ASN A 128 7.076 3.505 5.052 1.00 0.00 N ATOM 0 H ASN A 128 3.138 -0.388 4.315 1.00 0.00 H new ATOM 0 HA ASN A 128 5.173 0.159 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 128 4.586 2.461 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 128 5.006 2.193 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.026 3.838 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.421 4.074 5.589 1.00 0.00 H new ATOM 1991 N ARG A 129 5.720 -1.596 5.848 1.00 0.00 N ATOM 1992 CA ARG A 129 6.611 -2.445 6.631 1.00 0.00 C ATOM 1993 C ARG A 129 7.437 -1.612 7.606 1.00 0.00 C ATOM 1994 O ARG A 129 8.638 -1.830 7.763 1.00 0.00 O ATOM 1995 CB ARG A 129 7.538 -3.236 5.707 1.00 0.00 C ATOM 1996 CG ARG A 129 6.802 -4.173 4.763 1.00 0.00 C ATOM 1997 CD ARG A 129 7.771 -4.975 3.907 1.00 0.00 C ATOM 1998 NE ARG A 129 8.323 -4.179 2.813 1.00 0.00 N ATOM 1999 CZ ARG A 129 9.441 -4.492 2.169 1.00 0.00 C ATOM 2000 NH1 ARG A 129 10.123 -5.578 2.506 1.00 0.00 N ATOM 2001 NH2 ARG A 129 9.880 -3.718 1.185 1.00 0.00 N ATOM 0 H ARG A 129 4.826 -2.026 5.613 1.00 0.00 H new ATOM 0 HA ARG A 129 5.999 -3.142 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.135 -2.538 5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.233 -3.817 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.175 -4.853 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.138 -3.596 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.584 -5.347 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 129 7.259 -5.846 3.499 1.00 0.00 H new ATOM 0 HE ARG A 129 7.822 -3.337 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.789 -6.176 3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.982 -5.816 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 129 9.358 -2.882 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 129 10.739 -3.959 0.691 1.00 0.00 H new ATOM 2015 N GLY A 130 6.785 -0.655 8.260 1.00 0.00 N ATOM 2016 CA GLY A 130 7.475 0.197 9.211 1.00 0.00 C ATOM 2017 C GLY A 130 6.591 1.306 9.744 1.00 0.00 C ATOM 2018 O GLY A 130 5.840 1.108 10.700 1.00 0.00 O ATOM 0 H GLY A 130 5.791 -0.455 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.834 -0.409 10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.352 0.634 8.733 1.00 0.00 H new ATOM 2022 N LYS A 131 6.679 2.480 9.127 1.00 0.00 N ATOM 2023 CA LYS A 131 5.880 3.626 9.544 1.00 0.00 C ATOM 2024 C LYS A 131 4.585 3.708 8.743 1.00 0.00 C ATOM 2025 O LYS A 131 3.506 3.420 9.260 1.00 0.00 O ATOM 2026 CB LYS A 131 6.680 4.920 9.373 1.00 0.00 C ATOM 2027 CG LYS A 131 7.991 4.930 10.140 1.00 0.00 C ATOM 2028 CD LYS A 131 7.764 5.124 11.630 1.00 0.00 C ATOM 2029 CE LYS A 131 8.957 4.642 12.443 1.00 0.00 C ATOM 2030 NZ LYS A 131 8.959 5.216 13.817 1.00 0.00 N ATOM 0 H LYS A 131 7.296 2.662 8.336 1.00 0.00 H new ATOM 0 HA LYS A 131 5.628 3.497 10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.887 5.072 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.070 5.761 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.520 3.992 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.629 5.728 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.583 6.179 11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.870 4.581 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.939 3.554 12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.880 4.918 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.787 4.864 14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.001 6.254 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.090 4.932 14.313 1.00 0.00 H new ATOM 2044 N ASN A 132 4.700 4.101 7.479 1.00 0.00 N ATOM 2045 CA ASN A 132 3.537 4.219 6.607 1.00 0.00 C ATOM 2046 C ASN A 132 3.958 4.567 5.182 1.00 0.00 C ATOM 2047 O ASN A 132 5.065 5.055 4.953 1.00 0.00 O ATOM 2048 CB ASN A 132 2.578 5.284 7.142 1.00 0.00 C ATOM 2049 CG ASN A 132 3.304 6.411 7.852 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.488 6.649 7.614 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.595 7.109 8.731 1.00 0.00 N ATOM 0 H ASN A 132 5.586 4.343 7.036 1.00 0.00 H new ATOM 0 HA ASN A 132 3.027 3.256 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.997 5.693 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 132 1.871 4.820 7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.029 7.878 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.616 6.876 8.896 1.00 0.00 H new ATOM 2058 N TYR A 133 3.068 4.314 4.229 1.00 0.00 N ATOM 2059 CA TYR A 133 3.348 4.599 2.827 1.00 0.00 C ATOM 2060 C TYR A 133 3.185 6.086 2.530 1.00 0.00 C ATOM 2061 O TYR A 133 2.187 6.701 2.909 1.00 0.00 O ATOM 2062 CB TYR A 133 2.422 3.783 1.924 1.00 0.00 C ATOM 2063 CG TYR A 133 2.755 2.308 1.889 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.960 1.862 1.360 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.866 1.362 2.382 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.270 0.516 1.325 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.167 0.014 2.352 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.370 -0.404 1.823 1.00 0.00 C ATOM 2069 OH TYR A 133 3.673 -1.746 1.790 1.00 0.00 O ATOM 0 H TYR A 133 2.147 3.912 4.402 1.00 0.00 H new ATOM 0 HA TYR A 133 4.382 4.318 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.394 3.907 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.472 4.182 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.666 2.580 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.923 1.686 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.211 0.186 0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.464 -0.708 2.741 1.00 0.00 H new ATOM 0 HH TYR A 133 3.238 -2.198 2.543 1.00 0.00 H new ATOM 2079 N ARG A 134 4.172 6.659 1.849 1.00 0.00 N ATOM 2080 CA ARG A 134 4.140 8.074 1.501 1.00 0.00 C ATOM 2081 C ARG A 134 3.918 8.261 0.003 1.00 0.00 C ATOM 2082 O ARG A 134 4.873 8.405 -0.762 1.00 0.00 O ATOM 2083 CB ARG A 134 5.443 8.755 1.924 1.00 0.00 C ATOM 2084 CG ARG A 134 6.687 7.948 1.592 1.00 0.00 C ATOM 2085 CD ARG A 134 7.881 8.851 1.322 1.00 0.00 C ATOM 2086 NE ARG A 134 8.553 9.253 2.554 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.456 8.503 3.177 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.792 7.319 2.685 1.00 0.00 N ATOM 2089 NH2 ARG A 134 10.025 8.938 4.294 1.00 0.00 N ATOM 0 H ARG A 134 5.004 6.164 1.527 1.00 0.00 H new ATOM 0 HA ARG A 134 3.308 8.535 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.510 9.727 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.415 8.939 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.917 7.276 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 134 6.496 7.325 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 134 8.589 8.332 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.549 9.739 0.784 1.00 0.00 H new ATOM 0 HE ARG A 134 8.317 10.159 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.357 6.982 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.485 6.745 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 134 9.769 9.849 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.718 8.361 4.771 1.00 0.00 H new ATOM 2103 N ILE A 135 2.655 8.256 -0.409 1.00 0.00 N ATOM 2104 CA ILE A 135 2.309 8.425 -1.815 1.00 0.00 C ATOM 2105 C ILE A 135 2.508 9.870 -2.260 1.00 0.00 C ATOM 2106 O ILE A 135 1.802 10.772 -1.809 1.00 0.00 O ATOM 2107 CB ILE A 135 0.852 8.011 -2.090 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.632 6.548 -1.701 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.506 8.233 -3.555 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.823 6.187 -1.504 1.00 0.00 C ATOM 0 H ILE A 135 1.854 8.137 0.211 1.00 0.00 H new ATOM 0 HA ILE A 135 2.975 7.777 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 135 0.193 8.632 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.055 5.907 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.177 6.339 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.527 7.936 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.628 9.288 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.169 7.635 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.903 5.135 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.246 6.802 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.370 6.363 -2.430 1.00 0.00 H new ATOM 2122 N ILE A 136 3.473 10.082 -3.148 1.00 0.00 N ATOM 2123 CA ILE A 136 3.763 11.417 -3.657 1.00 0.00 C ATOM 2124 C ILE A 136 3.336 11.555 -5.114 1.00 0.00 C ATOM 2125 O ILE A 136 2.780 10.625 -5.699 1.00 0.00 O ATOM 2126 CB ILE A 136 5.261 11.752 -3.538 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.086 10.821 -4.429 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.714 11.647 -2.090 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.522 11.264 -4.600 1.00 0.00 C ATOM 0 H ILE A 136 4.068 9.347 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 136 3.193 12.118 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 136 5.417 12.777 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.072 9.818 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.615 10.758 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.775 11.887 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.144 12.347 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.548 10.632 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.047 10.557 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.546 12.255 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.010 11.300 -3.626 1.00 0.00 H new ATOM 2141 N ARG A 137 3.603 12.720 -5.696 1.00 0.00 N ATOM 2142 CA ARG A 137 3.248 12.979 -7.086 1.00 0.00 C ATOM 2143 C ARG A 137 4.388 12.588 -8.021 1.00 0.00 C ATOM 2144 O ARG A 137 5.469 12.207 -7.572 1.00 0.00 O ATOM 2145 CB ARG A 137 2.900 14.456 -7.279 1.00 0.00 C ATOM 2146 CG ARG A 137 1.896 14.705 -8.392 1.00 0.00 C ATOM 2147 CD ARG A 137 0.987 15.881 -8.070 1.00 0.00 C ATOM 2148 NE ARG A 137 1.689 17.158 -8.162 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.083 18.315 -8.404 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.231 18.355 -8.576 1.00 0.00 N ATOM 2151 NH2 ARG A 137 1.791 19.435 -8.474 1.00 0.00 N ATOM 0 H ARG A 137 4.064 13.499 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 137 2.376 12.372 -7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.500 14.851 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.813 15.011 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.426 14.898 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.294 13.810 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.140 15.883 -8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.582 15.762 -7.065 1.00 0.00 H new ATOM 0 HE ARG A 137 2.701 17.162 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.779 17.496 -8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.694 19.245 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.802 19.408 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.324 20.323 -8.660 1.00 0.00 H new ATOM 2165 N ALA A 138 4.139 12.684 -9.322 1.00 0.00 N ATOM 2166 CA ALA A 138 5.145 12.342 -10.320 1.00 0.00 C ATOM 2167 C ALA A 138 6.159 13.469 -10.486 1.00 0.00 C ATOM 2168 O ALA A 138 7.334 13.223 -10.760 1.00 0.00 O ATOM 2169 CB ALA A 138 4.481 12.027 -11.652 1.00 0.00 C ATOM 0 H ALA A 138 3.249 12.996 -9.710 1.00 0.00 H new ATOM 0 HA ALA A 138 5.678 11.457 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.244 11.773 -12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.801 11.184 -11.529 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.922 12.898 -11.995 1.00 0.00 H new ATOM 2175 N GLU A 139 5.697 14.704 -10.319 1.00 0.00 N ATOM 2176 CA GLU A 139 6.565 15.868 -10.453 1.00 0.00 C ATOM 2177 C GLU A 139 7.694 15.825 -9.427 1.00 0.00 C ATOM 2178 O GLU A 139 8.782 16.355 -9.661 1.00 0.00 O ATOM 2179 CB GLU A 139 5.757 17.157 -10.284 1.00 0.00 C ATOM 2180 CG GLU A 139 5.281 17.394 -8.861 1.00 0.00 C ATOM 2181 CD GLU A 139 4.954 18.850 -8.591 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.601 19.566 -9.551 1.00 0.00 O ATOM 2183 OE2 GLU A 139 5.052 19.273 -7.420 1.00 0.00 O ATOM 0 H GLU A 139 4.728 14.924 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 139 7.003 15.850 -11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.368 18.003 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.892 17.123 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.397 16.786 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 139 6.051 17.063 -8.164 1.00 0.00 H new