USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 834 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 58 SER OG : rot 143:sc= 0.204 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -8.03! C(o=-7.8!,f=-8.8!) USER MOD Set 2.1: A 29 CYS SG : rot 170:sc= -1.71 USER MOD Set 2.2: A 33 THR OG1 : rot -82:sc= -0.666 USER MOD Single : A 13 THR OG1 : rot 41:sc= 0.0077 USER MOD Single : A 24 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.99) USER MOD Single : A 30 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.29) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00458 X(o=-0.0046,f=-0.13) USER MOD Single : A 38 CYS SG : rot 180:sc= -2.86! USER MOD Single : A 42 SER OG : rot -69:sc= -0.274 USER MOD Single : A 51 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= -0.337 (180deg=-0.471) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -1.11 (180deg=-1.97!) USER MOD Single : A 65 MET CE :methyl 180:sc= -4.33! (180deg=-4.33!) USER MOD Single : A 70 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.56) USER MOD Single : A 74 HIS : no HD1:sc=-0.00872 X(o=-0.0087,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-2.5!) USER MOD Single : A 76 GLN : amide:sc=-0.00471 X(o=-0.0047,f=-0.019) USER MOD Single : A 84 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.4) USER MOD Single : A 86 SER OG : rot -81:sc= 0.998 USER MOD Single : A 88 MET CE :methyl 146:sc= -0.239 (180deg=-1.45) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 3:sc= -1.86 USER MOD Single : A 97 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= -0.0901 (180deg=-0.0901) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0128) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.767 11.360 7.472 1.00 0.00 N ATOM 143 CA THR A 13 -4.053 10.098 7.558 1.00 0.00 C ATOM 144 C THR A 13 -2.600 10.334 7.976 1.00 0.00 C ATOM 145 O THR A 13 -2.009 11.356 7.631 1.00 0.00 O ATOM 146 CB THR A 13 -4.188 9.386 6.210 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.491 8.809 6.252 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.252 8.182 6.087 1.00 0.00 C ATOM 0 HA THR A 13 -4.480 9.454 8.327 1.00 0.00 H new ATOM 0 HB THR A 13 -3.980 10.091 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.118 9.447 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.388 7.713 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.218 8.513 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.482 7.461 6.871 1.00 0.00 H new ATOM 156 N LEU A 14 -2.067 9.372 8.715 1.00 0.00 N ATOM 157 CA LEU A 14 -0.694 9.463 9.184 1.00 0.00 C ATOM 158 C LEU A 14 0.131 8.338 8.556 1.00 0.00 C ATOM 159 O LEU A 14 -0.396 7.265 8.266 1.00 0.00 O ATOM 160 CB LEU A 14 -0.651 9.477 10.714 1.00 0.00 C ATOM 161 CG LEU A 14 -1.490 10.558 11.399 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.146 10.018 12.671 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.653 11.809 11.672 1.00 0.00 C ATOM 0 H LEU A 14 -2.560 8.526 9.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.244 10.404 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.983 8.504 11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.386 9.597 11.027 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.293 10.849 10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.736 10.806 13.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.795 9.180 12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.374 9.683 13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.272 12.562 12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.184 11.552 12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.273 12.205 10.730 1.00 0.00 H new ATOM 175 N ILE A 15 1.410 8.623 8.363 1.00 0.00 N ATOM 176 CA ILE A 15 2.313 7.649 7.774 1.00 0.00 C ATOM 177 C ILE A 15 2.312 6.378 8.627 1.00 0.00 C ATOM 178 O ILE A 15 2.269 5.270 8.095 1.00 0.00 O ATOM 179 CB ILE A 15 3.703 8.257 7.578 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.610 7.309 6.790 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.321 8.657 8.919 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.877 8.026 6.321 1.00 0.00 C ATOM 0 H ILE A 15 1.843 9.515 8.604 1.00 0.00 H new ATOM 0 HA ILE A 15 1.971 7.366 6.778 1.00 0.00 H new ATOM 0 HB ILE A 15 3.597 9.167 6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.880 6.456 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.070 6.916 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.309 9.086 8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.684 9.394 9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.412 7.776 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.504 7.330 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.605 8.863 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.427 8.397 7.186 1.00 0.00 H new ATOM 194 N GLU A 16 2.360 6.582 9.935 1.00 0.00 N ATOM 195 CA GLU A 16 2.366 5.466 10.866 1.00 0.00 C ATOM 196 C GLU A 16 0.995 4.786 10.887 1.00 0.00 C ATOM 197 O GLU A 16 0.824 3.747 11.523 1.00 0.00 O ATOM 198 CB GLU A 16 2.772 5.925 12.268 1.00 0.00 C ATOM 199 CG GLU A 16 4.230 6.388 12.293 1.00 0.00 C ATOM 200 CD GLU A 16 5.161 5.246 12.706 1.00 0.00 C ATOM 201 OE1 GLU A 16 5.290 4.299 11.900 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.722 5.345 13.818 1.00 0.00 O ATOM 0 H GLU A 16 2.395 7.503 10.372 1.00 0.00 H new ATOM 0 HA GLU A 16 3.105 4.739 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.123 6.739 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.634 5.108 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.515 6.756 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.339 7.220 12.988 1.00 0.00 H new ATOM 209 N ASP A 17 0.054 5.400 10.185 1.00 0.00 N ATOM 210 CA ASP A 17 -1.295 4.867 10.116 1.00 0.00 C ATOM 211 C ASP A 17 -1.442 4.025 8.846 1.00 0.00 C ATOM 212 O ASP A 17 -2.183 3.044 8.830 1.00 0.00 O ATOM 213 CB ASP A 17 -2.330 5.992 10.058 1.00 0.00 C ATOM 214 CG ASP A 17 -3.321 6.020 11.224 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.902 5.630 12.335 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.476 6.430 10.977 1.00 0.00 O ATOM 0 H ASP A 17 0.200 6.262 9.659 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.465 4.265 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.805 6.947 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.890 5.903 9.127 1.00 0.00 H new ATOM 221 N VAL A 18 -0.723 4.441 7.813 1.00 0.00 N ATOM 222 CA VAL A 18 -0.764 3.737 6.543 1.00 0.00 C ATOM 223 C VAL A 18 0.332 2.670 6.520 1.00 0.00 C ATOM 224 O VAL A 18 0.246 1.702 5.766 1.00 0.00 O ATOM 225 CB VAL A 18 -0.650 4.735 5.388 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.795 4.030 4.038 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.676 5.860 5.533 1.00 0.00 C ATOM 0 H VAL A 18 -0.110 5.256 7.830 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.719 3.225 6.421 1.00 0.00 H new ATOM 0 HB VAL A 18 0.344 5.181 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.710 4.762 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.009 3.282 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.769 3.543 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.574 6.555 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.681 5.438 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.505 6.389 6.470 1.00 0.00 H new ATOM 237 N LEU A 19 1.338 2.882 7.356 1.00 0.00 N ATOM 238 CA LEU A 19 2.450 1.950 7.442 1.00 0.00 C ATOM 239 C LEU A 19 2.135 0.884 8.493 1.00 0.00 C ATOM 240 O LEU A 19 2.464 -0.287 8.311 1.00 0.00 O ATOM 241 CB LEU A 19 3.759 2.700 7.698 1.00 0.00 C ATOM 242 CG LEU A 19 4.452 3.281 6.464 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.378 2.248 5.819 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.429 3.833 5.470 1.00 0.00 C ATOM 0 H LEU A 19 1.406 3.686 7.980 1.00 0.00 H new ATOM 0 HA LEU A 19 2.588 1.432 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.558 3.514 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.453 2.021 8.194 1.00 0.00 H new ATOM 0 HG LEU A 19 5.074 4.117 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.858 2.686 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.140 1.944 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.797 1.377 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.948 4.240 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.762 3.032 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.847 4.621 5.947 1.00 0.00 H new ATOM 256 N ARG A 20 1.503 1.328 9.569 1.00 0.00 N ATOM 257 CA ARG A 20 1.141 0.426 10.649 1.00 0.00 C ATOM 258 C ARG A 20 0.670 -0.916 10.085 1.00 0.00 C ATOM 259 O ARG A 20 1.167 -1.969 10.482 1.00 0.00 O ATOM 260 CB ARG A 20 0.032 1.024 11.518 1.00 0.00 C ATOM 261 CG ARG A 20 0.542 1.323 12.929 1.00 0.00 C ATOM 262 CD ARG A 20 0.823 0.029 13.696 1.00 0.00 C ATOM 263 NE ARG A 20 1.434 0.341 15.007 1.00 0.00 N ATOM 264 CZ ARG A 20 2.073 -0.557 15.770 1.00 0.00 C ATOM 265 NH1 ARG A 20 2.188 -1.826 15.358 1.00 0.00 N ATOM 266 NH2 ARG A 20 2.597 -0.184 16.946 1.00 0.00 N ATOM 0 H ARG A 20 1.232 2.300 9.716 1.00 0.00 H new ATOM 0 HA ARG A 20 2.027 0.274 11.265 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.339 1.941 11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.808 0.331 11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.452 1.921 12.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.196 1.917 13.468 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.104 -0.527 13.840 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.490 -0.609 13.117 1.00 0.00 H new ATOM 0 HE ARG A 20 1.365 1.299 15.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.789 -2.110 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.674 -2.509 15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.509 0.783 17.260 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.083 -0.867 17.527 1.00 0.00 H new ATOM 280 N PRO A 21 -0.309 -0.832 9.145 1.00 0.00 N ATOM 281 CA PRO A 21 -0.853 -2.027 8.522 1.00 0.00 C ATOM 282 C PRO A 21 0.127 -2.608 7.501 1.00 0.00 C ATOM 283 O PRO A 21 0.543 -3.759 7.618 1.00 0.00 O ATOM 284 CB PRO A 21 -2.166 -1.584 7.900 1.00 0.00 C ATOM 285 CG PRO A 21 -2.087 -0.069 7.794 1.00 0.00 C ATOM 286 CD PRO A 21 -0.922 0.397 8.651 1.00 0.00 C ATOM 0 HA PRO A 21 -1.019 -2.835 9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.306 -2.037 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.012 -1.889 8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.944 0.234 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.017 0.387 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.214 0.986 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.262 1.028 9.472 1.00 0.00 H new ATOM 294 N LEU A 22 0.468 -1.783 6.521 1.00 0.00 N ATOM 295 CA LEU A 22 1.391 -2.200 5.479 1.00 0.00 C ATOM 296 C LEU A 22 2.585 -2.913 6.117 1.00 0.00 C ATOM 297 O LEU A 22 3.213 -3.765 5.489 1.00 0.00 O ATOM 298 CB LEU A 22 1.783 -1.009 4.602 1.00 0.00 C ATOM 299 CG LEU A 22 0.898 -0.756 3.380 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.223 0.594 2.738 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.004 -1.908 2.379 1.00 0.00 C ATOM 0 H LEU A 22 0.122 -0.828 6.427 1.00 0.00 H new ATOM 0 HA LEU A 22 0.912 -2.915 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.780 -0.111 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.807 -1.157 4.260 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.139 -0.713 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.580 0.749 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.055 1.391 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.266 0.605 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.365 -1.703 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.037 -2.008 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.685 -2.835 2.856 1.00 0.00 H new ATOM 313 N GLU A 23 2.864 -2.539 7.358 1.00 0.00 N ATOM 314 CA GLU A 23 3.971 -3.131 8.088 1.00 0.00 C ATOM 315 C GLU A 23 3.517 -4.411 8.793 1.00 0.00 C ATOM 316 O GLU A 23 4.195 -5.435 8.725 1.00 0.00 O ATOM 317 CB GLU A 23 4.565 -2.136 9.086 1.00 0.00 C ATOM 318 CG GLU A 23 5.507 -1.154 8.387 1.00 0.00 C ATOM 319 CD GLU A 23 6.587 -0.652 9.347 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.324 -1.514 9.873 1.00 0.00 O ATOM 321 OE2 GLU A 23 6.652 0.582 9.534 1.00 0.00 O ATOM 0 H GLU A 23 2.341 -1.833 7.876 1.00 0.00 H new ATOM 0 HA GLU A 23 4.754 -3.390 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.763 -1.587 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.107 -2.675 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.974 -1.640 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.936 -0.309 8.002 1.00 0.00 H new ATOM 328 N GLN A 24 2.374 -4.311 9.455 1.00 0.00 N ATOM 329 CA GLN A 24 1.822 -5.447 10.172 1.00 0.00 C ATOM 330 C GLN A 24 1.533 -6.596 9.204 1.00 0.00 C ATOM 331 O GLN A 24 1.586 -7.764 9.587 1.00 0.00 O ATOM 332 CB GLN A 24 0.562 -5.050 10.943 1.00 0.00 C ATOM 333 CG GLN A 24 -0.693 -5.284 10.100 1.00 0.00 C ATOM 334 CD GLN A 24 -1.955 -4.899 10.877 1.00 0.00 C ATOM 335 OE1 GLN A 24 -1.915 -4.562 12.048 1.00 0.00 O ATOM 336 NE2 GLN A 24 -3.073 -4.967 10.160 1.00 0.00 N ATOM 0 H GLN A 24 1.815 -3.460 9.510 1.00 0.00 H new ATOM 0 HA GLN A 24 2.560 -5.786 10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.498 -5.628 11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.622 -4.000 11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.634 -4.699 9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.748 -6.332 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.035 -5.257 9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.968 -4.729 10.587 1.00 0.00 H new ATOM 345 N ALA A 25 1.233 -6.225 7.968 1.00 0.00 N ATOM 346 CA ALA A 25 0.935 -7.210 6.942 1.00 0.00 C ATOM 347 C ALA A 25 2.205 -7.997 6.613 1.00 0.00 C ATOM 348 O ALA A 25 2.167 -9.220 6.492 1.00 0.00 O ATOM 349 CB ALA A 25 0.349 -6.508 5.715 1.00 0.00 C ATOM 0 H ALA A 25 1.190 -5.256 7.654 1.00 0.00 H new ATOM 0 HA ALA A 25 0.189 -7.921 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.125 -7.247 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.567 -5.988 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.071 -5.788 5.328 1.00 0.00 H new ATOM 355 N LEU A 26 3.299 -7.263 6.476 1.00 0.00 N ATOM 356 CA LEU A 26 4.578 -7.877 6.163 1.00 0.00 C ATOM 357 C LEU A 26 4.852 -9.009 7.156 1.00 0.00 C ATOM 358 O LEU A 26 4.986 -10.166 6.761 1.00 0.00 O ATOM 359 CB LEU A 26 5.683 -6.820 6.117 1.00 0.00 C ATOM 360 CG LEU A 26 7.019 -7.271 5.523 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.821 -7.900 4.142 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.022 -6.116 5.488 1.00 0.00 C ATOM 0 H LEU A 26 3.326 -6.248 6.576 1.00 0.00 H new ATOM 0 HA LEU A 26 4.553 -8.323 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.321 -5.969 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.861 -6.465 7.132 1.00 0.00 H new ATOM 0 HG LEU A 26 7.438 -8.041 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.786 -8.212 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.166 -8.767 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.369 -7.169 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.963 -6.464 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.624 -5.307 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.195 -5.754 6.501 1.00 0.00 H new ATOM 374 N GLU A 27 4.926 -8.635 8.425 1.00 0.00 N ATOM 375 CA GLU A 27 5.182 -9.605 9.477 1.00 0.00 C ATOM 376 C GLU A 27 4.323 -10.854 9.267 1.00 0.00 C ATOM 377 O GLU A 27 4.820 -11.975 9.356 1.00 0.00 O ATOM 378 CB GLU A 27 4.933 -8.994 10.857 1.00 0.00 C ATOM 379 CG GLU A 27 5.946 -7.887 11.157 1.00 0.00 C ATOM 380 CD GLU A 27 6.487 -8.011 12.583 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.768 -7.567 13.504 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.608 -8.547 12.720 1.00 0.00 O ATOM 0 H GLU A 27 4.813 -7.674 8.749 1.00 0.00 H new ATOM 0 HA GLU A 27 6.231 -9.897 9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.922 -8.589 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.000 -9.770 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.770 -7.941 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.475 -6.913 11.026 1.00 0.00 H new ATOM 389 N ASP A 28 3.048 -10.617 8.993 1.00 0.00 N ATOM 390 CA ASP A 28 2.116 -11.709 8.771 1.00 0.00 C ATOM 391 C ASP A 28 2.610 -12.567 7.604 1.00 0.00 C ATOM 392 O ASP A 28 2.476 -13.789 7.627 1.00 0.00 O ATOM 393 CB ASP A 28 0.725 -11.181 8.413 1.00 0.00 C ATOM 394 CG ASP A 28 -0.396 -11.623 9.356 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.804 -12.798 9.241 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.820 -10.774 10.170 1.00 0.00 O ATOM 0 H ASP A 28 2.639 -9.685 8.920 1.00 0.00 H new ATOM 0 HA ASP A 28 2.056 -12.293 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.759 -10.092 8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.478 -11.506 7.402 1.00 0.00 H new ATOM 401 N CYS A 29 3.173 -11.892 6.612 1.00 0.00 N ATOM 402 CA CYS A 29 3.688 -12.577 5.439 1.00 0.00 C ATOM 403 C CYS A 29 5.009 -13.249 5.817 1.00 0.00 C ATOM 404 O CYS A 29 5.252 -14.399 5.451 1.00 0.00 O ATOM 405 CB CYS A 29 3.852 -11.623 4.254 1.00 0.00 C ATOM 406 SG CYS A 29 2.213 -11.200 3.559 1.00 0.00 S ATOM 0 H CYS A 29 3.284 -10.878 6.597 1.00 0.00 H new ATOM 0 HA CYS A 29 2.975 -13.335 5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.365 -10.716 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.473 -12.086 3.487 1.00 0.00 H new ATOM 0 HG CYS A 29 2.342 -10.233 2.700 1.00 0.00 H new ATOM 412 N HIS A 30 5.829 -12.505 6.545 1.00 0.00 N ATOM 413 CA HIS A 30 7.119 -13.015 6.977 1.00 0.00 C ATOM 414 C HIS A 30 6.948 -14.424 7.549 1.00 0.00 C ATOM 415 O HIS A 30 7.889 -15.216 7.547 1.00 0.00 O ATOM 416 CB HIS A 30 7.782 -12.051 7.962 1.00 0.00 C ATOM 417 CG HIS A 30 8.388 -12.727 9.169 1.00 0.00 C ATOM 418 ND1 HIS A 30 9.753 -12.791 9.386 1.00 0.00 N ATOM 419 CD2 HIS A 30 7.800 -13.366 10.221 1.00 0.00 C ATOM 420 CE1 HIS A 30 9.966 -13.442 10.520 1.00 0.00 C ATOM 421 NE2 HIS A 30 8.755 -13.798 11.036 1.00 0.00 N ATOM 0 H HIS A 30 5.625 -11.552 6.847 1.00 0.00 H new ATOM 0 HA HIS A 30 7.791 -13.087 6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.561 -11.494 7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.042 -11.325 8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.738 -13.498 10.366 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.930 -13.654 10.959 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.607 -14.312 11.905 1.00 0.00 H new ATOM 429 N GLY A 31 5.741 -14.692 8.025 1.00 0.00 N ATOM 430 CA GLY A 31 5.435 -15.991 8.599 1.00 0.00 C ATOM 431 C GLY A 31 4.983 -16.976 7.519 1.00 0.00 C ATOM 432 O GLY A 31 5.266 -18.170 7.604 1.00 0.00 O ATOM 0 H GLY A 31 4.964 -14.032 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.315 -16.384 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.652 -15.885 9.350 1.00 0.00 H new ATOM 436 N HIS A 32 4.287 -16.438 6.528 1.00 0.00 N ATOM 437 CA HIS A 32 3.793 -17.254 5.432 1.00 0.00 C ATOM 438 C HIS A 32 4.698 -17.077 4.211 1.00 0.00 C ATOM 439 O HIS A 32 5.466 -17.975 3.868 1.00 0.00 O ATOM 440 CB HIS A 32 2.327 -16.933 5.134 1.00 0.00 C ATOM 441 CG HIS A 32 1.781 -17.633 3.912 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.368 -18.954 3.927 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.583 -17.182 2.640 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.945 -19.274 2.713 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.079 -18.174 1.917 1.00 0.00 N ATOM 0 H HIS A 32 4.054 -15.447 6.461 1.00 0.00 H new ATOM 0 HA HIS A 32 3.825 -18.306 5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.723 -17.208 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.221 -15.856 5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.800 -16.186 2.282 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.562 -20.236 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.832 -18.123 0.929 1.00 0.00 H new ATOM 453 N THR A 33 4.578 -15.914 3.589 1.00 0.00 N ATOM 454 CA THR A 33 5.376 -15.608 2.414 1.00 0.00 C ATOM 455 C THR A 33 6.820 -16.073 2.614 1.00 0.00 C ATOM 456 O THR A 33 7.300 -16.152 3.744 1.00 0.00 O ATOM 457 CB THR A 33 5.253 -14.108 2.136 1.00 0.00 C ATOM 458 OG1 THR A 33 3.858 -13.846 2.255 1.00 0.00 O ATOM 459 CG2 THR A 33 5.576 -13.753 0.683 1.00 0.00 C ATOM 0 H THR A 33 3.940 -15.172 3.876 1.00 0.00 H new ATOM 0 HA THR A 33 5.013 -16.146 1.538 1.00 0.00 H new ATOM 0 HB THR A 33 5.921 -13.560 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.408 -14.082 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.473 -12.677 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.598 -14.054 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.887 -14.275 0.019 1.00 0.00 H new ATOM 467 N LYS A 34 7.473 -16.368 1.500 1.00 0.00 N ATOM 468 CA LYS A 34 8.852 -16.822 1.538 1.00 0.00 C ATOM 469 C LYS A 34 9.704 -15.791 2.281 1.00 0.00 C ATOM 470 O LYS A 34 9.171 -14.900 2.941 1.00 0.00 O ATOM 471 CB LYS A 34 9.354 -17.132 0.127 1.00 0.00 C ATOM 472 CG LYS A 34 8.423 -18.117 -0.583 1.00 0.00 C ATOM 473 CD LYS A 34 8.339 -19.440 0.182 1.00 0.00 C ATOM 474 CE LYS A 34 7.076 -19.496 1.043 1.00 0.00 C ATOM 475 NZ LYS A 34 6.165 -20.557 0.559 1.00 0.00 N ATOM 0 H LYS A 34 7.072 -16.301 0.565 1.00 0.00 H new ATOM 0 HA LYS A 34 8.929 -17.758 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.421 -16.209 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.360 -17.549 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.428 -17.681 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.785 -18.300 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.341 -20.272 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.220 -19.555 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.345 -19.686 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.568 -18.532 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.313 -20.581 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.894 -20.359 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.647 -21.477 0.607 1.00 0.00 H new ATOM 489 N LYS A 35 11.013 -15.946 2.149 1.00 0.00 N ATOM 490 CA LYS A 35 11.944 -15.039 2.800 1.00 0.00 C ATOM 491 C LYS A 35 12.344 -13.936 1.818 1.00 0.00 C ATOM 492 O LYS A 35 12.121 -12.755 2.081 1.00 0.00 O ATOM 493 CB LYS A 35 13.132 -15.813 3.374 1.00 0.00 C ATOM 494 CG LYS A 35 13.998 -14.911 4.256 1.00 0.00 C ATOM 495 CD LYS A 35 13.295 -14.598 5.578 1.00 0.00 C ATOM 496 CE LYS A 35 14.199 -13.778 6.500 1.00 0.00 C ATOM 497 NZ LYS A 35 13.825 -13.989 7.916 1.00 0.00 N ATOM 0 H LYS A 35 11.451 -16.686 1.601 1.00 0.00 H new ATOM 0 HA LYS A 35 11.470 -14.551 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.771 -16.660 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.734 -16.219 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.953 -15.398 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.218 -13.983 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.374 -14.048 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.013 -15.527 6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.240 -14.064 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.119 -12.720 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.449 -13.425 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.838 -13.694 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.925 -14.996 8.155 1.00 0.00 H new ATOM 511 N GLN A 36 12.930 -14.360 0.708 1.00 0.00 N ATOM 512 CA GLN A 36 13.363 -13.422 -0.314 1.00 0.00 C ATOM 513 C GLN A 36 12.243 -12.431 -0.635 1.00 0.00 C ATOM 514 O GLN A 36 12.483 -11.229 -0.736 1.00 0.00 O ATOM 515 CB GLN A 36 13.822 -14.158 -1.574 1.00 0.00 C ATOM 516 CG GLN A 36 15.349 -14.171 -1.677 1.00 0.00 C ATOM 517 CD GLN A 36 15.853 -12.978 -2.491 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.620 -11.826 -2.163 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.557 -13.317 -3.568 1.00 0.00 N ATOM 0 H GLN A 36 13.115 -15.340 0.494 1.00 0.00 H new ATOM 0 HA GLN A 36 14.216 -12.863 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.446 -15.181 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.399 -13.676 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.785 -14.145 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.678 -15.099 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.715 -14.301 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.939 -12.593 -4.177 1.00 0.00 H new ATOM 528 N VAL A 37 11.043 -12.972 -0.786 1.00 0.00 N ATOM 529 CA VAL A 37 9.885 -12.150 -1.094 1.00 0.00 C ATOM 530 C VAL A 37 9.843 -10.957 -0.137 1.00 0.00 C ATOM 531 O VAL A 37 9.905 -9.807 -0.570 1.00 0.00 O ATOM 532 CB VAL A 37 8.613 -12.999 -1.046 1.00 0.00 C ATOM 533 CG1 VAL A 37 8.548 -13.817 0.245 1.00 0.00 C ATOM 534 CG2 VAL A 37 7.366 -12.128 -1.207 1.00 0.00 C ATOM 0 H VAL A 37 10.848 -13.969 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 37 9.957 -11.753 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 37 8.644 -13.697 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.634 -14.411 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.412 -14.479 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.551 -13.144 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.476 -12.756 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.327 -11.395 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.405 -11.611 -2.166 1.00 0.00 H new ATOM 544 N CYS A 38 9.739 -11.271 1.146 1.00 0.00 N ATOM 545 CA CYS A 38 9.688 -10.239 2.167 1.00 0.00 C ATOM 546 C CYS A 38 10.811 -9.237 1.894 1.00 0.00 C ATOM 547 O CYS A 38 10.554 -8.052 1.687 1.00 0.00 O ATOM 548 CB CYS A 38 9.782 -10.832 3.575 1.00 0.00 C ATOM 549 SG CYS A 38 9.539 -9.517 4.825 1.00 0.00 S ATOM 0 H CYS A 38 9.689 -12.226 1.502 1.00 0.00 H new ATOM 0 HA CYS A 38 8.727 -9.727 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.029 -11.610 3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.754 -11.304 3.716 1.00 0.00 H new ATOM 0 HG CYS A 38 9.619 -10.031 6.016 1.00 0.00 H new ATOM 555 N ASP A 39 12.033 -9.749 1.903 1.00 0.00 N ATOM 556 CA ASP A 39 13.196 -8.914 1.658 1.00 0.00 C ATOM 557 C ASP A 39 12.874 -7.910 0.549 1.00 0.00 C ATOM 558 O ASP A 39 13.353 -6.777 0.574 1.00 0.00 O ATOM 559 CB ASP A 39 14.392 -9.753 1.204 1.00 0.00 C ATOM 560 CG ASP A 39 15.745 -9.044 1.277 1.00 0.00 C ATOM 561 OD1 ASP A 39 16.170 -8.749 2.415 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.325 -8.814 0.194 1.00 0.00 O ATOM 0 H ASP A 39 12.243 -10.732 2.076 1.00 0.00 H new ATOM 0 HA ASP A 39 13.446 -8.404 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.438 -10.654 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.222 -10.074 0.176 1.00 0.00 H new ATOM 567 N ASP A 40 12.065 -8.363 -0.398 1.00 0.00 N ATOM 568 CA ASP A 40 11.674 -7.519 -1.514 1.00 0.00 C ATOM 569 C ASP A 40 10.619 -6.516 -1.044 1.00 0.00 C ATOM 570 O ASP A 40 10.829 -5.306 -1.121 1.00 0.00 O ATOM 571 CB ASP A 40 11.065 -8.350 -2.646 1.00 0.00 C ATOM 572 CG ASP A 40 11.192 -7.733 -4.040 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.817 -6.654 -4.129 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.660 -8.355 -4.986 1.00 0.00 O ATOM 0 H ASP A 40 11.670 -9.303 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 40 12.565 -7.009 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.542 -9.330 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.009 -8.511 -2.431 1.00 0.00 H new ATOM 579 N ILE A 41 9.507 -7.055 -0.566 1.00 0.00 N ATOM 580 CA ILE A 41 8.419 -6.222 -0.084 1.00 0.00 C ATOM 581 C ILE A 41 8.973 -5.181 0.891 1.00 0.00 C ATOM 582 O ILE A 41 8.818 -3.980 0.675 1.00 0.00 O ATOM 583 CB ILE A 41 7.304 -7.087 0.509 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.664 -7.968 -0.565 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.269 -6.225 1.236 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.649 -8.933 0.051 1.00 0.00 C ATOM 0 H ILE A 41 9.336 -8.059 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 41 7.963 -5.676 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 41 7.746 -7.753 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.171 -7.341 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.437 -8.532 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.488 -6.864 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.754 -5.678 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.827 -5.518 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.209 -9.548 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.150 -9.574 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.864 -8.365 0.551 1.00 0.00 H new ATOM 598 N SER A 42 9.607 -5.679 1.942 1.00 0.00 N ATOM 599 CA SER A 42 10.185 -4.806 2.950 1.00 0.00 C ATOM 600 C SER A 42 10.986 -3.689 2.278 1.00 0.00 C ATOM 601 O SER A 42 10.750 -2.510 2.535 1.00 0.00 O ATOM 602 CB SER A 42 11.076 -5.593 3.913 1.00 0.00 C ATOM 603 OG SER A 42 12.221 -6.135 3.260 1.00 0.00 O ATOM 0 H SER A 42 9.733 -6.676 2.118 1.00 0.00 H new ATOM 0 HA SER A 42 9.373 -4.364 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.397 -4.941 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.499 -6.401 4.362 1.00 0.00 H new ATOM 0 HG SER A 42 11.942 -6.851 2.652 1.00 0.00 H new ATOM 609 N ARG A 43 11.918 -4.100 1.430 1.00 0.00 N ATOM 610 CA ARG A 43 12.755 -3.149 0.719 1.00 0.00 C ATOM 611 C ARG A 43 11.894 -2.057 0.082 1.00 0.00 C ATOM 612 O ARG A 43 12.279 -0.888 0.066 1.00 0.00 O ATOM 613 CB ARG A 43 13.575 -3.843 -0.370 1.00 0.00 C ATOM 614 CG ARG A 43 15.043 -3.967 0.043 1.00 0.00 C ATOM 615 CD ARG A 43 15.971 -3.593 -1.115 1.00 0.00 C ATOM 616 NE ARG A 43 17.000 -2.635 -0.650 1.00 0.00 N ATOM 617 CZ ARG A 43 17.983 -2.155 -1.423 1.00 0.00 C ATOM 618 NH1 ARG A 43 18.078 -2.540 -2.703 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.872 -1.290 -0.916 1.00 0.00 N ATOM 0 H ARG A 43 12.112 -5.079 1.220 1.00 0.00 H new ATOM 0 HA ARG A 43 13.438 -2.703 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.163 -4.833 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.502 -3.279 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.241 -3.318 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.249 -4.988 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.449 -4.488 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.393 -3.153 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 43 16.958 -2.321 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.402 -3.199 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.827 -2.174 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.800 -0.997 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.621 -0.924 -1.504 1.00 0.00 H new ATOM 633 N ARG A 44 10.746 -2.475 -0.428 1.00 0.00 N ATOM 634 CA ARG A 44 9.827 -1.547 -1.065 1.00 0.00 C ATOM 635 C ARG A 44 9.199 -0.621 -0.021 1.00 0.00 C ATOM 636 O ARG A 44 9.095 0.585 -0.238 1.00 0.00 O ATOM 637 CB ARG A 44 8.717 -2.293 -1.808 1.00 0.00 C ATOM 638 CG ARG A 44 9.299 -3.201 -2.893 1.00 0.00 C ATOM 639 CD ARG A 44 9.610 -2.408 -4.164 1.00 0.00 C ATOM 640 NE ARG A 44 10.367 -3.252 -5.115 1.00 0.00 N ATOM 641 CZ ARG A 44 11.011 -2.779 -6.191 1.00 0.00 C ATOM 642 NH1 ARG A 44 10.993 -1.466 -6.459 1.00 0.00 N ATOM 643 NH2 ARG A 44 11.672 -3.619 -6.999 1.00 0.00 N ATOM 0 H ARG A 44 10.430 -3.445 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 44 10.397 -0.957 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.138 -2.889 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.030 -1.576 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.208 -3.676 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.593 -3.999 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.683 -2.067 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.188 -1.518 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 44 10.401 -4.256 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.489 -0.827 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.483 -1.106 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.685 -4.618 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.162 -3.259 -7.818 1.00 0.00 H new ATOM 657 N LEU A 45 8.797 -1.221 1.090 1.00 0.00 N ATOM 658 CA LEU A 45 8.182 -0.466 2.168 1.00 0.00 C ATOM 659 C LEU A 45 9.099 0.694 2.560 1.00 0.00 C ATOM 660 O LEU A 45 8.682 1.851 2.548 1.00 0.00 O ATOM 661 CB LEU A 45 7.827 -1.390 3.335 1.00 0.00 C ATOM 662 CG LEU A 45 6.988 -2.620 2.985 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.316 -3.199 4.231 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.975 -2.298 1.884 1.00 0.00 C ATOM 0 H LEU A 45 8.885 -2.222 1.267 1.00 0.00 H new ATOM 0 HA LEU A 45 7.239 -0.030 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.753 -1.727 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.288 -0.808 4.083 1.00 0.00 H new ATOM 0 HG LEU A 45 7.655 -3.388 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.726 -4.072 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.078 -3.491 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.664 -2.447 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.392 -3.190 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.308 -1.506 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.503 -1.969 0.989 1.00 0.00 H new ATOM 676 N ALA A 46 10.332 0.344 2.898 1.00 0.00 N ATOM 677 CA ALA A 46 11.312 1.342 3.293 1.00 0.00 C ATOM 678 C ALA A 46 11.170 2.572 2.394 1.00 0.00 C ATOM 679 O ALA A 46 11.209 3.704 2.875 1.00 0.00 O ATOM 680 CB ALA A 46 12.714 0.733 3.232 1.00 0.00 C ATOM 0 H ALA A 46 10.675 -0.617 2.906 1.00 0.00 H new ATOM 0 HA ALA A 46 11.141 1.663 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.449 1.481 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.770 -0.119 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.923 0.402 2.215 1.00 0.00 H new ATOM 686 N LEU A 47 11.010 2.309 1.106 1.00 0.00 N ATOM 687 CA LEU A 47 10.863 3.381 0.135 1.00 0.00 C ATOM 688 C LEU A 47 9.538 4.105 0.379 1.00 0.00 C ATOM 689 O LEU A 47 9.515 5.322 0.558 1.00 0.00 O ATOM 690 CB LEU A 47 11.016 2.840 -1.288 1.00 0.00 C ATOM 691 CG LEU A 47 11.700 3.772 -2.289 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.959 3.056 -3.616 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.895 5.059 -2.480 1.00 0.00 C ATOM 0 H LEU A 47 10.979 1.369 0.711 1.00 0.00 H new ATOM 0 HA LEU A 47 11.657 4.118 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.582 1.909 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.026 2.593 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 47 12.670 4.057 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.446 3.741 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.604 2.194 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.012 2.722 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.404 5.704 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.901 4.814 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.806 5.577 -1.525 1.00 0.00 H new ATOM 705 N LEU A 48 8.466 3.327 0.378 1.00 0.00 N ATOM 706 CA LEU A 48 7.139 3.879 0.597 1.00 0.00 C ATOM 707 C LEU A 48 7.199 4.903 1.732 1.00 0.00 C ATOM 708 O LEU A 48 6.772 6.044 1.566 1.00 0.00 O ATOM 709 CB LEU A 48 6.125 2.758 0.832 1.00 0.00 C ATOM 710 CG LEU A 48 4.784 3.183 1.434 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.219 4.405 0.708 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.794 2.016 1.447 1.00 0.00 C ATOM 0 H LEU A 48 8.489 2.318 0.229 1.00 0.00 H new ATOM 0 HA LEU A 48 6.794 4.408 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.933 2.263 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.578 2.017 1.491 1.00 0.00 H new ATOM 0 HG LEU A 48 4.953 3.474 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.266 4.686 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.919 5.236 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.069 4.166 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.849 2.345 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.625 1.671 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.202 1.200 2.044 1.00 0.00 H new ATOM 724 N ARG A 49 7.731 4.457 2.861 1.00 0.00 N ATOM 725 CA ARG A 49 7.852 5.321 4.023 1.00 0.00 C ATOM 726 C ARG A 49 8.683 6.559 3.681 1.00 0.00 C ATOM 727 O ARG A 49 8.256 7.685 3.930 1.00 0.00 O ATOM 728 CB ARG A 49 8.508 4.582 5.192 1.00 0.00 C ATOM 729 CG ARG A 49 8.585 5.476 6.431 1.00 0.00 C ATOM 730 CD ARG A 49 9.731 5.045 7.348 1.00 0.00 C ATOM 731 NE ARG A 49 10.126 6.168 8.227 1.00 0.00 N ATOM 732 CZ ARG A 49 9.476 6.508 9.349 1.00 0.00 C ATOM 733 NH1 ARG A 49 8.396 5.815 9.734 1.00 0.00 N ATOM 734 NH2 ARG A 49 9.906 7.542 10.085 1.00 0.00 N ATOM 0 H ARG A 49 8.083 3.509 2.995 1.00 0.00 H new ATOM 0 HA ARG A 49 6.847 5.624 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.939 3.682 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.510 4.261 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.728 6.513 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.642 5.431 6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.423 4.191 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.584 4.723 6.751 1.00 0.00 H new ATOM 0 HE ARG A 49 10.944 6.718 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.068 5.028 9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.902 6.074 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.728 8.070 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.412 7.801 10.939 1.00 0.00 H new ATOM 748 N GLU A 50 9.855 6.308 3.115 1.00 0.00 N ATOM 749 CA GLU A 50 10.749 7.388 2.736 1.00 0.00 C ATOM 750 C GLU A 50 10.026 8.380 1.823 1.00 0.00 C ATOM 751 O GLU A 50 9.973 9.574 2.115 1.00 0.00 O ATOM 752 CB GLU A 50 12.012 6.845 2.065 1.00 0.00 C ATOM 753 CG GLU A 50 12.986 6.283 3.103 1.00 0.00 C ATOM 754 CD GLU A 50 13.308 7.327 4.174 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.108 8.235 3.859 1.00 0.00 O ATOM 756 OE2 GLU A 50 12.748 7.194 5.283 1.00 0.00 O ATOM 0 H GLU A 50 10.205 5.372 2.910 1.00 0.00 H new ATOM 0 HA GLU A 50 11.056 7.914 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.743 6.064 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.497 7.640 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.554 5.398 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.905 5.967 2.610 1.00 0.00 H new ATOM 763 N GLN A 51 9.487 7.849 0.735 1.00 0.00 N ATOM 764 CA GLN A 51 8.770 8.673 -0.223 1.00 0.00 C ATOM 765 C GLN A 51 7.569 9.343 0.447 1.00 0.00 C ATOM 766 O GLN A 51 7.247 10.492 0.146 1.00 0.00 O ATOM 767 CB GLN A 51 8.331 7.848 -1.435 1.00 0.00 C ATOM 768 CG GLN A 51 9.157 8.209 -2.672 1.00 0.00 C ATOM 769 CD GLN A 51 8.307 8.125 -3.942 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.537 9.015 -4.264 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.490 7.010 -4.642 1.00 0.00 N ATOM 0 H GLN A 51 9.533 6.858 0.496 1.00 0.00 H new ATOM 0 HA GLN A 51 9.444 9.452 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.442 6.786 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.274 8.023 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.558 9.217 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.009 7.534 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.151 6.305 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.970 6.859 -5.506 1.00 0.00 H new ATOM 780 N TRP A 52 6.939 8.597 1.343 1.00 0.00 N ATOM 781 CA TRP A 52 5.781 9.105 2.059 1.00 0.00 C ATOM 782 C TRP A 52 6.246 10.256 2.954 1.00 0.00 C ATOM 783 O TRP A 52 5.845 11.402 2.757 1.00 0.00 O ATOM 784 CB TRP A 52 5.083 7.987 2.835 1.00 0.00 C ATOM 785 CG TRP A 52 3.770 8.414 3.494 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.567 9.422 4.353 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.477 7.799 3.311 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.243 9.502 4.736 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.559 8.484 4.082 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.095 6.701 2.520 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.202 8.147 4.138 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.735 6.377 2.587 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.202 7.056 3.358 1.00 0.00 C ATOM 0 H TRP A 52 7.209 7.645 1.589 1.00 0.00 H new ATOM 0 HA TRP A 52 5.033 9.486 1.363 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.884 7.157 2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.760 7.615 3.604 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.342 10.088 4.702 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.841 10.183 5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.796 6.151 1.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.496 8.699 4.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.389 5.540 1.998 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.236 6.744 3.355 1.00 0.00 H new ATOM 804 N ALA A 53 7.085 9.910 3.919 1.00 0.00 N ATOM 805 CA ALA A 53 7.609 10.899 4.846 1.00 0.00 C ATOM 806 C ALA A 53 8.253 12.041 4.056 1.00 0.00 C ATOM 807 O ALA A 53 7.846 13.195 4.182 1.00 0.00 O ATOM 808 CB ALA A 53 8.591 10.229 5.808 1.00 0.00 C ATOM 0 H ALA A 53 7.415 8.958 4.079 1.00 0.00 H new ATOM 0 HA ALA A 53 6.805 11.325 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.984 10.971 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.077 9.446 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.413 9.791 5.242 1.00 0.00 H new ATOM 814 N GLY A 54 9.247 11.679 3.259 1.00 0.00 N ATOM 815 CA GLY A 54 9.951 12.658 2.449 1.00 0.00 C ATOM 816 C GLY A 54 8.985 13.704 1.889 1.00 0.00 C ATOM 817 O GLY A 54 9.362 14.857 1.685 1.00 0.00 O ATOM 0 H GLY A 54 9.582 10.721 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.716 13.149 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.464 12.155 1.629 1.00 0.00 H new ATOM 821 N GLY A 55 7.757 13.264 1.657 1.00 0.00 N ATOM 822 CA GLY A 55 6.733 14.147 1.125 1.00 0.00 C ATOM 823 C GLY A 55 6.774 14.175 -0.404 1.00 0.00 C ATOM 824 O GLY A 55 6.459 15.193 -1.019 1.00 0.00 O ATOM 0 H GLY A 55 7.448 12.307 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.751 13.814 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.878 15.155 1.515 1.00 0.00 H new ATOM 828 N LYS A 56 7.165 13.045 -0.975 1.00 0.00 N ATOM 829 CA LYS A 56 7.251 12.927 -2.421 1.00 0.00 C ATOM 830 C LYS A 56 5.898 12.474 -2.972 1.00 0.00 C ATOM 831 O LYS A 56 5.567 12.754 -4.123 1.00 0.00 O ATOM 832 CB LYS A 56 8.413 12.014 -2.816 1.00 0.00 C ATOM 833 CG LYS A 56 9.706 12.815 -2.984 1.00 0.00 C ATOM 834 CD LYS A 56 10.101 12.916 -4.459 1.00 0.00 C ATOM 835 CE LYS A 56 11.273 13.879 -4.649 1.00 0.00 C ATOM 836 NZ LYS A 56 12.369 13.222 -5.395 1.00 0.00 N ATOM 0 H LYS A 56 7.426 12.203 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 56 7.471 13.896 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.553 11.247 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.176 11.500 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.575 13.815 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.509 12.339 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.372 11.929 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.247 13.257 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.939 14.766 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.637 14.215 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.157 13.890 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.699 12.390 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.023 12.924 -6.329 1.00 0.00 H new ATOM 850 N LEU A 57 5.152 11.780 -2.125 1.00 0.00 N ATOM 851 CA LEU A 57 3.842 11.284 -2.514 1.00 0.00 C ATOM 852 C LEU A 57 2.843 12.443 -2.515 1.00 0.00 C ATOM 853 O LEU A 57 3.083 13.475 -1.891 1.00 0.00 O ATOM 854 CB LEU A 57 3.425 10.115 -1.620 1.00 0.00 C ATOM 855 CG LEU A 57 4.475 9.020 -1.415 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.047 8.051 -0.311 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.776 8.296 -2.728 1.00 0.00 C ATOM 0 H LEU A 57 5.429 11.549 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 57 3.871 10.886 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.147 10.511 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.531 9.659 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 57 5.402 9.492 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.810 7.283 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.924 8.597 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.102 7.582 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.525 7.523 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.863 7.838 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.155 9.010 -3.459 1.00 0.00 H new ATOM 869 N SER A 58 1.744 12.234 -3.225 1.00 0.00 N ATOM 870 CA SER A 58 0.708 13.249 -3.316 1.00 0.00 C ATOM 871 C SER A 58 -0.265 13.110 -2.143 1.00 0.00 C ATOM 872 O SER A 58 -0.358 12.047 -1.532 1.00 0.00 O ATOM 873 CB SER A 58 -0.045 13.149 -4.645 1.00 0.00 C ATOM 874 OG SER A 58 0.790 12.672 -5.696 1.00 0.00 O ATOM 0 H SER A 58 1.548 11.377 -3.742 1.00 0.00 H new ATOM 0 HA SER A 58 1.184 14.229 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.899 12.481 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.441 14.129 -4.912 1.00 0.00 H new ATOM 0 HG SER A 58 0.271 12.085 -6.285 1.00 0.00 H new ATOM 880 N ILE A 59 -0.965 14.200 -1.865 1.00 0.00 N ATOM 881 CA ILE A 59 -1.928 14.213 -0.777 1.00 0.00 C ATOM 882 C ILE A 59 -3.044 13.211 -1.077 1.00 0.00 C ATOM 883 O ILE A 59 -3.447 12.445 -0.202 1.00 0.00 O ATOM 884 CB ILE A 59 -2.430 15.636 -0.523 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.383 16.461 0.228 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.777 15.620 0.203 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.311 17.887 -0.324 1.00 0.00 C ATOM 0 H ILE A 59 -0.885 15.080 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.456 13.896 0.153 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.589 16.120 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.630 16.490 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.407 15.983 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.112 16.644 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.512 15.093 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.668 15.112 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.560 18.453 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.040 17.855 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.282 18.370 -0.213 1.00 0.00 H new ATOM 899 N PRO A 60 -3.525 13.250 -2.348 1.00 0.00 N ATOM 900 CA PRO A 60 -4.587 12.354 -2.774 1.00 0.00 C ATOM 901 C PRO A 60 -4.057 10.934 -2.981 1.00 0.00 C ATOM 902 O PRO A 60 -4.820 10.023 -3.297 1.00 0.00 O ATOM 903 CB PRO A 60 -5.137 12.975 -4.048 1.00 0.00 C ATOM 904 CG PRO A 60 -4.066 13.934 -4.540 1.00 0.00 C ATOM 905 CD PRO A 60 -3.072 14.144 -3.410 1.00 0.00 C ATOM 0 HA PRO A 60 -5.373 12.248 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.350 12.210 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.072 13.500 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.565 13.528 -5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.511 14.883 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.057 13.902 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.064 15.182 -3.077 1.00 0.00 H new ATOM 913 N VAL A 61 -2.753 10.791 -2.795 1.00 0.00 N ATOM 914 CA VAL A 61 -2.112 9.497 -2.957 1.00 0.00 C ATOM 915 C VAL A 61 -2.104 8.764 -1.614 1.00 0.00 C ATOM 916 O VAL A 61 -2.065 7.535 -1.574 1.00 0.00 O ATOM 917 CB VAL A 61 -0.712 9.677 -3.548 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.221 8.551 -3.099 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.768 9.768 -5.074 1.00 0.00 C ATOM 0 H VAL A 61 -2.123 11.550 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.671 8.880 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.308 10.617 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.209 8.703 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.298 8.554 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.178 7.593 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.240 9.896 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.202 8.853 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.382 10.620 -5.365 1.00 0.00 H new ATOM 929 N LYS A 62 -2.143 9.549 -0.548 1.00 0.00 N ATOM 930 CA LYS A 62 -2.141 8.990 0.793 1.00 0.00 C ATOM 931 C LYS A 62 -3.583 8.733 1.236 1.00 0.00 C ATOM 932 O LYS A 62 -3.875 7.705 1.845 1.00 0.00 O ATOM 933 CB LYS A 62 -1.356 9.891 1.748 1.00 0.00 C ATOM 934 CG LYS A 62 -0.047 10.360 1.108 1.00 0.00 C ATOM 935 CD LYS A 62 0.540 11.550 1.870 1.00 0.00 C ATOM 936 CE LYS A 62 1.948 11.879 1.372 1.00 0.00 C ATOM 937 NZ LYS A 62 2.913 10.856 1.833 1.00 0.00 N ATOM 0 H LYS A 62 -2.176 10.568 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.627 8.029 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.962 10.755 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.141 9.350 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.671 9.540 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.226 10.640 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.106 12.420 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.571 11.324 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.953 11.928 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.249 12.861 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.882 11.178 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.800 10.709 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.736 9.962 1.333 1.00 0.00 H new ATOM 951 N LYS A 63 -4.446 9.685 0.913 1.00 0.00 N ATOM 952 CA LYS A 63 -5.850 9.575 1.270 1.00 0.00 C ATOM 953 C LYS A 63 -6.449 8.341 0.592 1.00 0.00 C ATOM 954 O LYS A 63 -7.296 7.660 1.169 1.00 0.00 O ATOM 955 CB LYS A 63 -6.589 10.874 0.945 1.00 0.00 C ATOM 956 CG LYS A 63 -6.755 11.739 2.196 1.00 0.00 C ATOM 957 CD LYS A 63 -5.846 12.969 2.137 1.00 0.00 C ATOM 958 CE LYS A 63 -4.423 12.620 2.577 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.433 11.997 3.919 1.00 0.00 N ATOM 0 H LYS A 63 -4.200 10.536 0.408 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.959 9.434 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.039 11.429 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.568 10.644 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.794 12.055 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.520 11.151 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.830 13.365 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.247 13.753 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.970 11.939 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.810 13.521 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.492 12.089 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.138 12.473 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.677 10.990 3.832 1.00 0.00 H new ATOM 973 N ARG A 64 -5.985 8.089 -0.624 1.00 0.00 N ATOM 974 CA ARG A 64 -6.464 6.949 -1.386 1.00 0.00 C ATOM 975 C ARG A 64 -5.885 5.651 -0.821 1.00 0.00 C ATOM 976 O ARG A 64 -6.596 4.656 -0.687 1.00 0.00 O ATOM 977 CB ARG A 64 -6.078 7.072 -2.862 1.00 0.00 C ATOM 978 CG ARG A 64 -7.321 7.170 -3.748 1.00 0.00 C ATOM 979 CD ARG A 64 -7.559 8.611 -4.202 1.00 0.00 C ATOM 980 NE ARG A 64 -8.949 9.016 -3.895 1.00 0.00 N ATOM 981 CZ ARG A 64 -9.391 10.280 -3.944 1.00 0.00 C ATOM 982 NH1 ARG A 64 -8.556 11.270 -4.287 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.669 10.555 -3.649 1.00 0.00 N ATOM 0 H ARG A 64 -5.282 8.655 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.551 6.930 -1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.454 7.954 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.483 6.209 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.203 6.525 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.192 6.809 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.858 9.279 -3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.374 8.699 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.612 8.288 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.583 11.062 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.893 12.232 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.305 9.802 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.005 11.517 -3.686 1.00 0.00 H new ATOM 997 N MET A 65 -4.599 5.703 -0.504 1.00 0.00 N ATOM 998 CA MET A 65 -3.916 4.543 0.044 1.00 0.00 C ATOM 999 C MET A 65 -4.654 4.002 1.271 1.00 0.00 C ATOM 1000 O MET A 65 -5.068 2.844 1.289 1.00 0.00 O ATOM 1001 CB MET A 65 -2.489 4.930 0.436 1.00 0.00 C ATOM 1002 CG MET A 65 -1.491 4.511 -0.646 1.00 0.00 C ATOM 1003 SD MET A 65 -1.460 2.732 -0.792 1.00 0.00 S ATOM 1004 CE MET A 65 -0.901 2.297 0.846 1.00 0.00 C ATOM 0 H MET A 65 -4.012 6.530 -0.616 1.00 0.00 H new ATOM 0 HA MET A 65 -3.895 3.763 -0.717 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.430 6.007 0.593 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.226 4.456 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.768 4.958 -1.601 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.496 4.881 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.826 1.213 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.077 2.744 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.612 2.669 1.584 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.795 4.865 2.266 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.475 4.488 3.493 1.00 0.00 C ATOM 1016 C ALA A 66 -6.675 3.601 3.154 1.00 0.00 C ATOM 1017 O ALA A 66 -6.894 2.575 3.796 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.879 5.748 4.261 1.00 0.00 C ATOM 0 H ALA A 66 -4.450 5.825 2.247 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.812 3.912 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.389 5.465 5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.988 6.328 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.548 6.350 3.646 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.421 4.030 2.146 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.593 3.288 1.715 1.00 0.00 C ATOM 1026 C LEU A 67 -8.208 1.826 1.480 1.00 0.00 C ATOM 1027 O LEU A 67 -8.638 0.941 2.218 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.233 3.959 0.497 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.496 5.461 0.620 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.395 5.955 -0.515 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.069 5.807 1.996 1.00 0.00 C ATOM 0 H LEU A 67 -7.236 4.882 1.616 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.356 3.296 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.588 3.793 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.179 3.460 0.288 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.543 5.983 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.566 7.026 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.911 5.762 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.349 5.429 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.247 6.881 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.009 5.275 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.360 5.512 2.770 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.403 1.618 0.449 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.955 0.278 0.107 1.00 0.00 C ATOM 1045 C LEU A 68 -6.524 -0.451 1.381 1.00 0.00 C ATOM 1046 O LEU A 68 -6.846 -1.623 1.570 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.868 0.334 -0.968 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.795 -0.755 -0.894 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.951 -0.780 -2.170 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.934 -0.592 0.360 1.00 0.00 C ATOM 0 H LEU A 68 -7.049 2.355 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.772 -0.297 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.348 0.278 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.377 1.305 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.293 -1.721 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.196 -1.562 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.594 -0.980 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.461 0.185 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.180 -1.378 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.443 0.381 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.565 -0.662 1.246 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.801 0.273 2.223 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.322 -0.290 3.474 1.00 0.00 C ATOM 1064 C VAL A 69 -6.518 -0.722 4.325 1.00 0.00 C ATOM 1065 O VAL A 69 -6.563 -1.852 4.809 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.414 0.715 4.186 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.036 0.218 5.583 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.165 1.011 3.354 1.00 0.00 C ATOM 0 H VAL A 69 -5.535 1.245 2.063 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.718 -1.178 3.287 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.969 1.646 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.390 0.951 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.939 0.081 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.508 -0.732 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.537 1.728 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.607 0.088 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.460 1.428 2.391 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.457 0.199 4.480 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.650 -0.073 5.264 1.00 0.00 C ATOM 1080 C GLN A 70 -9.337 -1.343 4.760 1.00 0.00 C ATOM 1081 O GLN A 70 -9.980 -2.054 5.533 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.609 1.119 5.235 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.062 2.283 6.062 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.139 1.976 7.559 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.138 1.497 8.071 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.030 2.276 8.230 1.00 0.00 N ATOM 0 H GLN A 70 -7.416 1.135 4.076 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.352 -0.231 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.763 1.441 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.582 0.817 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.028 2.479 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.629 3.188 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.229 2.675 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.980 2.107 9.235 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.180 -1.591 3.468 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.777 -2.763 2.853 1.00 0.00 C ATOM 1097 C GLU A 71 -9.002 -4.023 3.245 1.00 0.00 C ATOM 1098 O GLU A 71 -9.599 -5.050 3.560 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.842 -2.611 1.332 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.387 -1.235 0.941 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.882 -1.309 0.623 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.552 -2.166 1.238 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.321 -0.505 -0.228 1.00 0.00 O ATOM 0 H GLU A 71 -8.647 -0.999 2.830 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.799 -2.860 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.848 -2.747 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.477 -3.391 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.219 -0.529 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.845 -0.858 0.074 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.683 -3.901 3.212 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.820 -5.017 3.561 1.00 0.00 C ATOM 1112 C LEU A 72 -7.078 -5.421 5.013 1.00 0.00 C ATOM 1113 O LEU A 72 -6.843 -6.567 5.393 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.358 -4.674 3.268 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.394 -5.860 3.188 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.424 -5.701 2.016 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.661 -6.061 4.515 1.00 0.00 C ATOM 0 H LEU A 72 -7.191 -3.047 2.949 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.050 -5.885 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.315 -4.132 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.003 -3.994 4.042 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.977 -6.762 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.750 -6.557 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.986 -5.645 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.843 -4.788 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.982 -6.910 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.091 -5.163 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.386 -6.253 5.306 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.558 -4.458 5.786 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.850 -4.700 7.189 1.00 0.00 C ATOM 1131 C LEU A 73 -9.146 -5.504 7.304 1.00 0.00 C ATOM 1132 O LEU A 73 -9.243 -6.419 8.121 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.873 -3.382 7.966 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.533 -2.654 8.092 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.736 -1.208 8.550 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.578 -3.418 9.011 1.00 0.00 C ATOM 0 H LEU A 73 -7.752 -3.509 5.468 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.061 -5.299 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.584 -2.711 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.252 -3.581 8.969 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.070 -2.617 7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.768 -0.713 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.354 -0.680 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.231 -1.200 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.633 -2.879 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.021 -3.508 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.398 -4.413 8.603 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.110 -5.134 6.474 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.397 -5.810 6.472 1.00 0.00 C ATOM 1150 C HIS A 74 -11.310 -7.076 5.617 1.00 0.00 C ATOM 1151 O HIS A 74 -12.279 -7.827 5.513 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.508 -4.862 6.017 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.932 -3.864 7.068 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.057 -3.070 6.937 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.370 -3.541 8.269 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.158 -2.306 8.015 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.112 -2.599 8.839 1.00 0.00 N ATOM 0 H HIS A 74 -10.026 -4.375 5.798 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.653 -6.115 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.171 -4.322 5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.375 -5.451 5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.474 -3.977 8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -14.933 -1.579 8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.930 -2.166 9.744 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.141 -7.274 5.026 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.915 -8.435 4.183 1.00 0.00 C ATOM 1167 C HIS A 75 -10.417 -8.147 2.767 1.00 0.00 C ATOM 1168 O HIS A 75 -10.340 -9.006 1.890 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.554 -9.683 4.795 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.492 -9.728 6.304 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.572 -10.094 7.088 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.469 -9.450 7.162 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.205 -10.034 8.359 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.901 -9.634 8.403 1.00 0.00 N ATOM 0 H HIS A 75 -9.340 -6.649 5.115 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.846 -8.639 4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.597 -9.735 4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.057 -10.567 4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.476 -9.134 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.828 -10.262 9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.349 -9.499 9.250 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.920 -6.934 2.587 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.434 -6.522 1.292 1.00 0.00 C ATOM 1184 C GLN A 76 -10.284 -6.322 0.303 1.00 0.00 C ATOM 1185 O GLN A 76 -10.098 -5.227 -0.226 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.277 -5.251 1.416 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.611 -5.543 2.106 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.689 -5.905 1.082 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -15.072 -5.112 0.238 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.156 -7.145 1.204 1.00 0.00 N ATOM 0 H GLN A 76 -10.982 -6.224 3.316 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.081 -7.313 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.727 -4.500 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.459 -4.833 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.487 -6.362 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.927 -4.671 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.791 -7.758 1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.879 -7.483 0.568 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.541 -7.397 0.083 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.414 -7.354 -0.833 1.00 0.00 C ATOM 1201 C TRP A 77 -8.918 -6.829 -2.178 1.00 0.00 C ATOM 1202 O TRP A 77 -8.367 -5.874 -2.722 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.742 -8.724 -0.940 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.036 -9.656 0.238 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.973 -10.611 0.320 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.348 -9.682 1.506 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.938 -11.248 1.544 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.919 -10.666 2.288 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.278 -8.901 1.977 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.488 -10.959 3.587 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.858 -9.207 3.277 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.423 -10.194 4.077 1.00 0.00 C ATOM 0 H TRP A 77 -9.698 -8.303 0.524 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.642 -6.679 -0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.068 -9.206 -1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.664 -8.583 -1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.667 -10.852 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.548 -12.007 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.816 -8.126 1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.952 -11.734 4.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.038 -8.637 3.687 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.042 -10.370 5.072 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.961 -7.477 -2.677 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.546 -7.087 -3.949 1.00 0.00 C ATOM 1225 C ASP A 78 -10.645 -5.561 -4.013 1.00 0.00 C ATOM 1226 O ASP A 78 -10.175 -4.945 -4.968 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.956 -7.659 -4.105 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.019 -9.080 -4.668 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.140 -9.401 -5.497 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.944 -9.814 -4.257 1.00 0.00 O ATOM 0 H ASP A 78 -10.416 -8.269 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.910 -7.473 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.446 -7.648 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.529 -7.000 -4.758 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.261 -4.996 -2.985 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.427 -3.554 -2.913 1.00 0.00 C ATOM 1237 C ALA A 79 -10.055 -2.882 -2.986 1.00 0.00 C ATOM 1238 O ALA A 79 -9.824 -2.024 -3.837 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.187 -3.192 -1.635 1.00 0.00 C ATOM 0 H ALA A 79 -11.651 -5.510 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.015 -3.192 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.312 -2.111 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.166 -3.670 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.625 -3.537 -0.767 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.179 -3.298 -2.082 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.836 -2.746 -2.034 1.00 0.00 C ATOM 1247 C ALA A 80 -7.267 -2.673 -3.452 1.00 0.00 C ATOM 1248 O ALA A 80 -6.781 -1.626 -3.877 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.969 -3.595 -1.102 1.00 0.00 C ATOM 0 H ALA A 80 -9.373 -4.010 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.852 -1.733 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.961 -3.181 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.399 -3.591 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.928 -4.618 -1.475 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.348 -3.798 -4.147 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.848 -3.875 -5.509 1.00 0.00 C ATOM 1257 C ASP A 81 -7.533 -2.803 -6.360 1.00 0.00 C ATOM 1258 O ASP A 81 -6.908 -2.210 -7.237 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.152 -5.239 -6.132 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.994 -5.305 -7.652 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.893 -4.948 -8.124 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.978 -5.711 -8.308 1.00 0.00 O ATOM 0 H ASP A 81 -7.753 -4.664 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.769 -3.725 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.495 -5.982 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.174 -5.519 -5.875 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.807 -2.588 -6.070 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.584 -1.599 -6.798 1.00 0.00 C ATOM 1269 C ASP A 82 -8.949 -0.220 -6.610 1.00 0.00 C ATOM 1270 O ASP A 82 -8.570 0.431 -7.582 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.020 -1.533 -6.276 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.091 -1.340 -7.351 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.059 -2.117 -8.330 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.917 -0.419 -7.171 1.00 0.00 O ATOM 0 H ASP A 82 -9.321 -3.082 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.596 -1.887 -7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.235 -2.452 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.093 -0.714 -5.561 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.852 0.185 -5.352 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.269 1.475 -5.023 1.00 0.00 C ATOM 1281 C ILE A 83 -6.830 1.526 -5.540 1.00 0.00 C ATOM 1282 O ILE A 83 -6.422 2.510 -6.155 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.394 1.754 -3.524 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.861 1.763 -3.089 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.675 3.050 -3.146 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -10.020 1.174 -1.686 1.00 0.00 C ATOM 0 H ILE A 83 -9.167 -0.358 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.815 2.277 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.903 0.945 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.242 2.784 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.458 1.189 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.779 3.225 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.618 2.967 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.115 3.883 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.072 1.192 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.660 0.145 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.441 1.765 -0.976 1.00 0.00 H new ATOM 1298 N HIS A 84 -6.100 0.453 -5.271 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.715 0.364 -5.702 1.00 0.00 C ATOM 1300 C HIS A 84 -4.616 0.711 -7.188 1.00 0.00 C ATOM 1301 O HIS A 84 -3.791 1.534 -7.583 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.132 -1.013 -5.375 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.370 -1.644 -6.515 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.923 -2.602 -7.347 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.094 -1.443 -6.953 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -3.011 -2.956 -8.241 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.879 -2.237 -7.995 1.00 0.00 N ATOM 0 H HIS A 84 -6.441 -0.361 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 84 -4.113 1.089 -5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.468 -0.920 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.943 -1.679 -5.081 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.871 -2.972 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.380 -0.755 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.142 -3.686 -9.026 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.468 0.067 -7.972 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.487 0.298 -9.406 1.00 0.00 C ATOM 1317 C ARG A 85 -5.657 1.790 -9.702 1.00 0.00 C ATOM 1318 O ARG A 85 -4.875 2.371 -10.453 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.622 -0.480 -10.075 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.093 -1.742 -10.760 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.584 -1.428 -12.168 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.210 -2.681 -12.862 1.00 0.00 N ATOM 1323 CZ ARG A 85 -6.093 -3.567 -13.342 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -7.407 -3.344 -13.207 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.661 -4.677 -13.956 1.00 0.00 N ATOM 0 H ARG A 85 -6.150 -0.615 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.536 -0.050 -9.810 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.369 -0.753 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.120 0.155 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.287 -2.172 -10.165 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.884 -2.490 -10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.355 -0.905 -12.734 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.723 -0.762 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.217 -2.883 -12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.735 -2.499 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.079 -4.019 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.660 -4.847 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.333 -5.352 -14.322 1.00 0.00 H new ATOM 1339 N SER A 86 -6.684 2.367 -9.096 1.00 0.00 N ATOM 1340 CA SER A 86 -6.967 3.779 -9.284 1.00 0.00 C ATOM 1341 C SER A 86 -5.689 4.599 -9.096 1.00 0.00 C ATOM 1342 O SER A 86 -5.437 5.543 -9.843 1.00 0.00 O ATOM 1343 CB SER A 86 -8.052 4.258 -8.317 1.00 0.00 C ATOM 1344 OG SER A 86 -7.525 4.550 -7.026 1.00 0.00 O ATOM 0 H SER A 86 -7.331 1.882 -8.474 1.00 0.00 H new ATOM 0 HA SER A 86 -7.336 3.921 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.532 5.149 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.823 3.493 -8.229 1.00 0.00 H new ATOM 0 HG SER A 86 -7.421 3.718 -6.519 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.916 4.208 -8.093 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.670 4.895 -7.797 1.00 0.00 C ATOM 1352 C LEU A 87 -2.643 4.570 -8.883 1.00 0.00 C ATOM 1353 O LEU A 87 -1.930 5.455 -9.354 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.196 4.559 -6.382 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.805 5.395 -5.254 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.543 4.751 -3.892 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.304 6.839 -5.311 1.00 0.00 C ATOM 0 H LEU A 87 -5.128 3.425 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.818 5.975 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.414 3.509 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.112 4.672 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.886 5.423 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.986 5.365 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.987 3.756 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.468 4.672 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.752 7.412 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.219 6.852 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.584 7.284 -6.266 1.00 0.00 H new ATOM 1369 N MET A 88 -2.600 3.297 -9.250 1.00 0.00 N ATOM 1370 CA MET A 88 -1.672 2.844 -10.272 1.00 0.00 C ATOM 1371 C MET A 88 -2.060 3.393 -11.647 1.00 0.00 C ATOM 1372 O MET A 88 -1.304 3.259 -12.608 1.00 0.00 O ATOM 1373 CB MET A 88 -1.667 1.315 -10.315 1.00 0.00 C ATOM 1374 CG MET A 88 -0.602 0.743 -9.378 1.00 0.00 C ATOM 1375 SD MET A 88 0.298 -0.562 -10.199 1.00 0.00 S ATOM 1376 CE MET A 88 1.906 0.202 -10.324 1.00 0.00 C ATOM 0 H MET A 88 -3.193 2.566 -8.858 1.00 0.00 H new ATOM 0 HA MET A 88 -0.677 3.212 -10.022 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.649 0.937 -10.030 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.479 0.977 -11.334 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.085 1.532 -9.070 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.071 0.358 -8.473 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.679 -0.560 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.001 0.694 -11.292 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.021 0.939 -9.530 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.237 3.999 -11.696 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.734 4.568 -12.937 1.00 0.00 C ATOM 1388 C VAL A 89 -3.085 5.935 -13.162 1.00 0.00 C ATOM 1389 O VAL A 89 -2.478 6.174 -14.205 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.263 4.629 -12.910 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.802 5.404 -14.114 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.866 3.224 -12.847 1.00 0.00 C ATOM 0 H VAL A 89 -3.861 4.108 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.462 3.936 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.562 5.163 -12.008 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.891 5.432 -14.071 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.411 6.421 -14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.488 4.911 -15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.954 3.295 -12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.554 2.655 -13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.520 2.720 -11.945 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.236 6.797 -12.167 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.673 8.134 -12.243 1.00 0.00 C ATOM 1404 C ASP A 90 -1.307 8.147 -11.554 1.00 0.00 C ATOM 1405 O ASP A 90 -0.276 8.282 -12.212 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.569 9.151 -11.534 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.893 9.449 -12.240 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.016 9.035 -13.413 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.752 10.085 -11.592 1.00 0.00 O ATOM 0 H ASP A 90 -3.740 6.595 -11.304 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.585 8.403 -13.296 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.784 8.785 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.016 10.084 -11.422 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.342 8.004 -10.237 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.120 7.998 -9.451 1.00 0.00 C ATOM 1416 C HIS A 91 0.589 6.652 -9.616 1.00 0.00 C ATOM 1417 O HIS A 91 0.786 5.927 -8.642 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.412 8.339 -7.989 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.425 9.445 -7.807 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.065 10.770 -7.632 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.788 9.408 -7.775 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.170 11.489 -7.501 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.236 10.643 -7.589 1.00 0.00 N ATOM 0 H HIS A 91 -2.198 7.891 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 91 0.555 8.772 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.772 7.443 -7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.519 8.629 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.399 8.524 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.218 12.557 -7.351 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.217 10.915 -7.523 1.00 0.00 H new ATOM 1431 N VAL A 92 0.952 6.359 -10.856 1.00 0.00 N ATOM 1432 CA VAL A 92 1.635 5.113 -11.161 1.00 0.00 C ATOM 1433 C VAL A 92 3.136 5.287 -10.924 1.00 0.00 C ATOM 1434 O VAL A 92 3.762 4.469 -10.252 1.00 0.00 O ATOM 1435 CB VAL A 92 1.302 4.669 -12.587 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.051 5.520 -13.615 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.603 3.182 -12.783 1.00 0.00 C ATOM 0 H VAL A 92 0.786 6.963 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 92 1.292 4.318 -10.499 1.00 0.00 H new ATOM 0 HB VAL A 92 0.234 4.818 -12.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.797 5.184 -14.620 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.766 6.566 -13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.125 5.418 -13.459 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.357 2.893 -13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.661 2.998 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.005 2.595 -12.086 1.00 0.00 H new ATOM 1447 N THR A 93 3.671 6.360 -11.489 1.00 0.00 N ATOM 1448 CA THR A 93 5.087 6.653 -11.348 1.00 0.00 C ATOM 1449 C THR A 93 5.415 7.012 -9.898 1.00 0.00 C ATOM 1450 O THR A 93 6.566 6.914 -9.475 1.00 0.00 O ATOM 1451 CB THR A 93 5.443 7.758 -12.344 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.937 7.056 -13.481 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.632 8.602 -11.881 1.00 0.00 C ATOM 0 H THR A 93 3.149 7.037 -12.045 1.00 0.00 H new ATOM 0 HA THR A 93 5.697 5.780 -11.579 1.00 0.00 H new ATOM 0 HB THR A 93 4.577 8.403 -12.495 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.190 7.698 -14.177 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.843 9.371 -12.624 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.394 9.074 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.507 7.963 -11.762 1.00 0.00 H new ATOM 1461 N GLU A 94 4.383 7.422 -9.175 1.00 0.00 N ATOM 1462 CA GLU A 94 4.547 7.797 -7.781 1.00 0.00 C ATOM 1463 C GLU A 94 4.556 6.550 -6.894 1.00 0.00 C ATOM 1464 O GLU A 94 5.544 6.274 -6.215 1.00 0.00 O ATOM 1465 CB GLU A 94 3.454 8.773 -7.343 1.00 0.00 C ATOM 1466 CG GLU A 94 3.898 10.223 -7.553 1.00 0.00 C ATOM 1467 CD GLU A 94 5.148 10.538 -6.729 1.00 0.00 C ATOM 1468 OE1 GLU A 94 4.970 10.924 -5.554 1.00 0.00 O ATOM 1469 OE2 GLU A 94 6.253 10.386 -7.293 1.00 0.00 O ATOM 0 H GLU A 94 3.430 7.503 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 94 5.506 8.304 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.543 8.582 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.216 8.610 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.102 10.395 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.091 10.899 -7.270 1.00 0.00 H new ATOM 1476 N VAL A 95 3.444 5.831 -6.928 1.00 0.00 N ATOM 1477 CA VAL A 95 3.311 4.620 -6.135 1.00 0.00 C ATOM 1478 C VAL A 95 4.435 3.649 -6.503 1.00 0.00 C ATOM 1479 O VAL A 95 4.983 2.971 -5.636 1.00 0.00 O ATOM 1480 CB VAL A 95 1.917 4.021 -6.325 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.830 5.025 -5.934 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.720 3.533 -7.762 1.00 0.00 C ATOM 0 H VAL A 95 2.627 6.063 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 95 3.411 4.845 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 95 1.831 3.159 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.151 4.573 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.951 5.303 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.915 5.915 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.720 3.112 -7.869 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.837 4.370 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.462 2.769 -7.992 1.00 0.00 H new ATOM 1492 N SER A 96 4.744 3.613 -7.791 1.00 0.00 N ATOM 1493 CA SER A 96 5.792 2.736 -8.285 1.00 0.00 C ATOM 1494 C SER A 96 7.051 2.891 -7.428 1.00 0.00 C ATOM 1495 O SER A 96 7.104 3.747 -6.547 1.00 0.00 O ATOM 1496 CB SER A 96 6.109 3.028 -9.752 1.00 0.00 C ATOM 1497 OG SER A 96 6.443 4.398 -9.964 1.00 0.00 O ATOM 0 H SER A 96 4.287 4.177 -8.507 1.00 0.00 H new ATOM 0 HA SER A 96 5.438 1.707 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.938 2.398 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.249 2.765 -10.368 1.00 0.00 H new ATOM 0 HG SER A 96 6.454 4.869 -9.105 1.00 0.00 H new ATOM 1503 N GLN A 97 8.032 2.050 -7.718 1.00 0.00 N ATOM 1504 CA GLN A 97 9.287 2.083 -6.986 1.00 0.00 C ATOM 1505 C GLN A 97 9.098 1.501 -5.584 1.00 0.00 C ATOM 1506 O GLN A 97 10.032 1.488 -4.783 1.00 0.00 O ATOM 1507 CB GLN A 97 9.845 3.506 -6.919 1.00 0.00 C ATOM 1508 CG GLN A 97 11.155 3.618 -7.703 1.00 0.00 C ATOM 1509 CD GLN A 97 11.517 5.083 -7.957 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.466 5.619 -7.407 1.00 0.00 O ATOM 1511 NE2 GLN A 97 10.712 5.699 -8.817 1.00 0.00 N ATOM 0 H GLN A 97 7.984 1.341 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 97 10.013 1.468 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.114 4.207 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.014 3.786 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.958 3.132 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.061 3.093 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.936 5.192 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.871 6.679 -9.052 1.00 0.00 H new ATOM 1520 N TRP A 98 7.885 1.035 -5.330 1.00 0.00 N ATOM 1521 CA TRP A 98 7.562 0.453 -4.038 1.00 0.00 C ATOM 1522 C TRP A 98 6.212 -0.257 -4.163 1.00 0.00 C ATOM 1523 O TRP A 98 6.050 -1.379 -3.685 1.00 0.00 O ATOM 1524 CB TRP A 98 7.578 1.517 -2.938 1.00 0.00 C ATOM 1525 CG TRP A 98 6.575 2.651 -3.155 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.770 3.815 -3.789 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.203 2.683 -2.707 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.629 4.591 -3.784 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.646 3.881 -3.105 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.458 1.730 -1.990 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.320 4.237 -2.833 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.134 2.102 -1.726 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.558 3.304 -2.120 1.00 0.00 C ATOM 0 H TRP A 98 7.113 1.048 -5.997 1.00 0.00 H new ATOM 0 HA TRP A 98 8.315 -0.279 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.369 1.039 -1.981 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.580 1.940 -2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.703 4.109 -4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.526 5.516 -4.202 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.874 0.786 -1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.907 5.181 -3.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.517 1.406 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.527 3.517 -1.877 1.00 0.00 H new ATOM 1544 N MET A 99 5.278 0.427 -4.807 1.00 0.00 N ATOM 1545 CA MET A 99 3.947 -0.124 -5.001 1.00 0.00 C ATOM 1546 C MET A 99 4.011 -1.630 -5.263 1.00 0.00 C ATOM 1547 O MET A 99 3.266 -2.401 -4.659 1.00 0.00 O ATOM 1548 CB MET A 99 3.273 0.572 -6.185 1.00 0.00 C ATOM 1549 CG MET A 99 1.970 -0.133 -6.567 1.00 0.00 C ATOM 1550 SD MET A 99 0.610 1.020 -6.497 1.00 0.00 S ATOM 1551 CE MET A 99 0.312 1.043 -4.737 1.00 0.00 C ATOM 0 H MET A 99 5.416 1.358 -5.201 1.00 0.00 H new ATOM 0 HA MET A 99 3.368 0.044 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.067 1.612 -5.931 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.950 0.581 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.053 -0.550 -7.571 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.786 -0.967 -5.890 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.514 1.720 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.059 0.039 -4.398 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.209 1.385 -4.221 1.00 0.00 H new ATOM 1561 N VAL A 100 4.906 -2.005 -6.165 1.00 0.00 N ATOM 1562 CA VAL A 100 5.076 -3.405 -6.515 1.00 0.00 C ATOM 1563 C VAL A 100 5.036 -4.252 -5.242 1.00 0.00 C ATOM 1564 O VAL A 100 4.350 -5.272 -5.192 1.00 0.00 O ATOM 1565 CB VAL A 100 6.366 -3.591 -7.316 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.286 -2.865 -8.661 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.583 -3.126 -6.514 1.00 0.00 C ATOM 0 H VAL A 100 5.522 -1.363 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 100 4.260 -3.741 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 100 6.484 -4.656 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.216 -3.013 -9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.454 -3.264 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.131 -1.800 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.486 -3.270 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.475 -2.070 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.657 -3.707 -5.595 1.00 0.00 H new ATOM 1577 N GLY A 101 5.781 -3.800 -4.244 1.00 0.00 N ATOM 1578 CA GLY A 101 5.839 -4.504 -2.974 1.00 0.00 C ATOM 1579 C GLY A 101 4.448 -4.621 -2.348 1.00 0.00 C ATOM 1580 O GLY A 101 4.043 -5.702 -1.923 1.00 0.00 O ATOM 0 H GLY A 101 6.350 -2.955 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.259 -5.499 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.506 -3.976 -2.292 1.00 0.00 H new ATOM 1584 N VAL A 102 3.753 -3.493 -2.311 1.00 0.00 N ATOM 1585 CA VAL A 102 2.416 -3.455 -1.744 1.00 0.00 C ATOM 1586 C VAL A 102 1.500 -4.380 -2.548 1.00 0.00 C ATOM 1587 O VAL A 102 0.873 -5.278 -1.989 1.00 0.00 O ATOM 1588 CB VAL A 102 1.911 -2.012 -1.690 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.434 -1.963 -1.292 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.763 -1.168 -0.740 1.00 0.00 C ATOM 0 H VAL A 102 4.091 -2.598 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 102 2.426 -3.820 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 102 2.003 -1.587 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.100 -0.926 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.158 -2.513 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.307 -2.415 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.383 -0.147 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.717 -1.592 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.797 -1.163 -1.085 1.00 0.00 H new ATOM 1600 N LYS A 103 1.451 -4.128 -3.848 1.00 0.00 N ATOM 1601 CA LYS A 103 0.622 -4.926 -4.734 1.00 0.00 C ATOM 1602 C LYS A 103 0.765 -6.404 -4.366 1.00 0.00 C ATOM 1603 O LYS A 103 -0.232 -7.103 -4.191 1.00 0.00 O ATOM 1604 CB LYS A 103 0.954 -4.622 -6.197 1.00 0.00 C ATOM 1605 CG LYS A 103 0.119 -5.490 -7.141 1.00 0.00 C ATOM 1606 CD LYS A 103 0.232 -4.996 -8.584 1.00 0.00 C ATOM 1607 CE LYS A 103 0.009 -6.141 -9.575 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.278 -6.861 -9.828 1.00 0.00 N ATOM 0 H LYS A 103 1.972 -3.382 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.429 -4.666 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.767 -3.569 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.014 -4.799 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.454 -6.526 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.925 -5.474 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.501 -4.209 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.216 -4.557 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.736 -6.832 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.386 -5.748 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.110 -7.635 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.978 -6.202 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.639 -7.253 -8.935 1.00 0.00 H new ATOM 1622 N ARG A 104 2.012 -6.836 -4.258 1.00 0.00 N ATOM 1623 CA ARG A 104 2.299 -8.219 -3.913 1.00 0.00 C ATOM 1624 C ARG A 104 1.759 -8.540 -2.517 1.00 0.00 C ATOM 1625 O ARG A 104 1.057 -9.533 -2.333 1.00 0.00 O ATOM 1626 CB ARG A 104 3.803 -8.495 -3.947 1.00 0.00 C ATOM 1627 CG ARG A 104 4.092 -9.981 -3.731 1.00 0.00 C ATOM 1628 CD ARG A 104 3.668 -10.805 -4.948 1.00 0.00 C ATOM 1629 NE ARG A 104 4.652 -10.639 -6.041 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.802 -11.501 -7.055 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.032 -12.596 -7.123 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.721 -11.269 -8.002 1.00 0.00 N ATOM 0 H ARG A 104 2.836 -6.253 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 104 1.809 -8.854 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.213 -8.177 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.302 -7.908 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.156 -10.125 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.562 -10.333 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.590 -11.857 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.681 -10.489 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 104 5.254 -9.816 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.332 -12.773 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.146 -13.253 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.307 -10.436 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.835 -11.926 -8.774 1.00 0.00 H new ATOM 1646 N LEU A 105 2.109 -7.681 -1.571 1.00 0.00 N ATOM 1647 CA LEU A 105 1.669 -7.861 -0.198 1.00 0.00 C ATOM 1648 C LEU A 105 0.193 -8.264 -0.188 1.00 0.00 C ATOM 1649 O LEU A 105 -0.159 -9.333 0.310 1.00 0.00 O ATOM 1650 CB LEU A 105 1.969 -6.609 0.630 1.00 0.00 C ATOM 1651 CG LEU A 105 1.785 -6.745 2.143 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.083 -6.418 2.884 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.615 -5.890 2.632 1.00 0.00 C ATOM 0 H LEU A 105 2.692 -6.859 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 105 2.225 -8.670 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.998 -6.307 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.327 -5.802 0.277 1.00 0.00 H new ATOM 0 HG LEU A 105 1.540 -7.783 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.925 -6.522 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.867 -7.104 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.382 -5.394 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.506 -6.005 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.806 -4.843 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.302 -6.212 2.138 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.631 -7.388 -0.745 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.060 -7.640 -0.807 1.00 0.00 C ATOM 1667 C ILE A 106 -2.300 -9.104 -1.181 1.00 0.00 C ATOM 1668 O ILE A 106 -2.934 -9.845 -0.430 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.739 -6.646 -1.751 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.577 -5.211 -1.244 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.208 -7.013 -1.971 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.679 -4.208 -2.395 1.00 0.00 C ATOM 0 H ILE A 106 -0.336 -6.503 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.517 -7.481 0.170 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.244 -6.704 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.344 -4.996 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.613 -5.104 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.666 -6.290 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.273 -8.009 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.733 -7.001 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.560 -3.196 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.895 -4.411 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.654 -4.301 -2.874 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.781 -9.478 -2.341 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.931 -10.841 -2.823 1.00 0.00 C ATOM 1686 C ALA A 107 -1.567 -11.817 -1.703 1.00 0.00 C ATOM 1687 O ALA A 107 -2.306 -12.763 -1.434 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.069 -11.038 -4.072 1.00 0.00 C ATOM 0 H ALA A 107 -1.256 -8.861 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 107 -2.965 -11.036 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.181 -12.060 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.388 -10.341 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.023 -10.853 -3.825 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.427 -11.554 -1.080 1.00 0.00 N ATOM 1695 CA GLU A 108 0.044 -12.398 0.005 1.00 0.00 C ATOM 1696 C GLU A 108 -0.986 -12.433 1.136 1.00 0.00 C ATOM 1697 O GLU A 108 -1.557 -13.483 1.427 1.00 0.00 O ATOM 1698 CB GLU A 108 1.405 -11.922 0.518 1.00 0.00 C ATOM 1699 CG GLU A 108 2.444 -11.921 -0.605 1.00 0.00 C ATOM 1700 CD GLU A 108 2.545 -13.300 -1.261 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.198 -14.283 -0.570 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.966 -13.340 -2.437 1.00 0.00 O ATOM 0 H GLU A 108 0.184 -10.769 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 108 0.170 -13.411 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.311 -10.918 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.740 -12.571 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.174 -11.177 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.416 -11.633 -0.205 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.192 -11.273 1.742 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.143 -11.158 2.834 1.00 0.00 C ATOM 1711 C LYS A 109 -3.390 -11.982 2.508 1.00 0.00 C ATOM 1712 O LYS A 109 -3.863 -12.756 3.339 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.439 -9.688 3.135 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.221 -8.999 3.755 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.024 -9.436 5.208 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.162 -8.923 6.093 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.674 -10.009 6.959 1.00 0.00 N ATOM 0 H LYS A 109 -0.716 -10.404 1.497 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.720 -11.568 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.723 -9.175 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.287 -9.616 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.329 -9.238 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.349 -7.917 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.979 -10.524 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.071 -9.059 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.808 -8.096 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.968 -8.535 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.283 -9.605 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.224 -10.680 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.875 -10.506 7.402 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.888 -11.788 1.295 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.071 -12.503 0.849 1.00 0.00 C ATOM 1733 C LYS A 110 -4.815 -14.009 0.936 1.00 0.00 C ATOM 1734 O LYS A 110 -5.614 -14.746 1.512 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.488 -12.031 -0.546 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.578 -12.934 -1.127 1.00 0.00 C ATOM 1737 CD LYS A 110 -6.821 -12.618 -2.604 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.176 -13.159 -3.065 1.00 0.00 C ATOM 1739 NZ LYS A 110 -7.991 -14.292 -4.000 1.00 0.00 N ATOM 0 H LYS A 110 -3.493 -11.146 0.608 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.916 -12.284 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.851 -11.005 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.622 -12.029 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.286 -13.979 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.503 -12.801 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.784 -11.540 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.026 -13.055 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.757 -13.483 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.744 -12.367 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.920 -14.647 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.455 -13.972 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.468 -15.054 -3.523 1.00 0.00 H new ATOM 1753 N SER A 111 -3.697 -14.422 0.356 1.00 0.00 N ATOM 1754 CA SER A 111 -3.326 -15.826 0.362 1.00 0.00 C ATOM 1755 C SER A 111 -3.662 -16.451 1.717 1.00 0.00 C ATOM 1756 O SER A 111 -4.363 -17.460 1.783 1.00 0.00 O ATOM 1757 CB SER A 111 -1.838 -16.004 0.050 1.00 0.00 C ATOM 1758 OG SER A 111 -1.620 -16.958 -0.985 1.00 0.00 O ATOM 0 H SER A 111 -3.037 -13.808 -0.121 1.00 0.00 H new ATOM 0 HA SER A 111 -3.896 -16.333 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.412 -15.045 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.314 -16.321 0.952 1.00 0.00 H new ATOM 0 HG SER A 111 -0.659 -17.042 -1.156 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.147 -15.826 2.766 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.384 -16.308 4.116 1.00 0.00 C ATOM 1766 C LEU A 112 -4.882 -16.557 4.308 1.00 0.00 C ATOM 1767 O LEU A 112 -5.303 -17.690 4.537 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.784 -15.346 5.142 1.00 0.00 C ATOM 1769 CG LEU A 112 -1.257 -15.251 5.159 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.785 -13.901 4.617 1.00 0.00 C ATOM 1771 CD2 LEU A 112 -0.706 -15.530 6.559 1.00 0.00 C ATOM 0 H LEU A 112 -2.566 -14.990 2.708 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.879 -17.261 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.188 -14.351 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.121 -15.648 6.134 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.860 -16.020 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.304 -13.860 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.131 -13.780 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.191 -13.099 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.381 -15.456 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.109 -14.800 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.997 -16.533 6.871 1.00 0.00 H new