USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 633 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 99 LYS NZ :NH3+ 159:sc= 0.0858 (180deg=-0.752) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.259 K(o=0.35,f=-0.36) USER MOD Set 2.1: A 96 MET CE :methyl -101:sc= -1.36 (180deg=-2.35) USER MOD Set 2.2: A 98 THR OG1 : rot 60:sc= 0.00559 USER MOD Set 3.1: A 94 SER OG : rot 58:sc= -1.12 USER MOD Set 3.2: A 109 THR OG1 : rot 162:sc= 1.25 USER MOD Set 4.1: A 31 THR OG1 : rot -87:sc= 0.17 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -0.46 K(o=-0.29,f=-1.4) USER MOD Single : A 19 MET CE :methyl -102:sc= -4.92! (180deg=-5.62!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 140:sc= 0.0236 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 109:sc= 0.205 USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.126! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -55:sc= 0.0393 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 32:sc= 0.203 USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000913 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 26:sc= 0.2 USER MOD Single : A 80 TYR OH : rot -33:sc= -0.46 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.0049) USER MOD Single : A 89 THR OG1 : rot -70:sc= -0.751 USER MOD Single : A 90 MET CE :methyl 154:sc= -0.411 (180deg=-1.46!) USER MOD Single : A 91 TYR OH : rot 86:sc= 0.937! USER MOD Single : A 103 SER OG : rot 180:sc=0.000408 USER MOD Single : A 104 SER OG : rot -74:sc= 0.321 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 118:sc= 0.78 USER MOD Single : A 108 MET CE :methyl -162:sc= -0.0246 (180deg=-0.455) USER MOD Single : A 111 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.45) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 114 THR OG1 : rot -175:sc= 1.48 USER MOD Single : A 115 TYR OH : rot 164:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.801 17.111 4.244 1.00 0.00 N ATOM 226 CA MET A 19 3.811 16.814 3.214 1.00 0.00 C ATOM 227 C MET A 19 2.682 15.956 3.777 1.00 0.00 C ATOM 228 O MET A 19 2.870 15.224 4.749 1.00 0.00 O ATOM 229 CB MET A 19 4.471 16.099 2.034 1.00 0.00 C ATOM 230 CG MET A 19 5.086 17.046 1.016 1.00 0.00 C ATOM 231 SD MET A 19 3.891 17.632 -0.199 1.00 0.00 S ATOM 232 CE MET A 19 3.739 16.189 -1.249 1.00 0.00 C ATOM 0 HA MET A 19 3.389 17.757 2.868 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.246 15.432 2.411 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.728 15.476 1.536 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.518 17.901 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.903 16.539 0.501 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.319 16.339 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.115 15.313 -0.720 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.691 16.035 -1.507 1.00 0.00 H new ATOM 242 N LEU A 20 1.509 16.052 3.160 1.00 0.00 N ATOM 243 CA LEU A 20 0.349 15.284 3.600 1.00 0.00 C ATOM 244 C LEU A 20 0.077 14.119 2.654 1.00 0.00 C ATOM 245 O LEU A 20 -0.423 14.292 1.543 1.00 0.00 O ATOM 246 CB LEU A 20 -0.883 16.188 3.682 1.00 0.00 C ATOM 247 CG LEU A 20 -1.925 15.808 4.735 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.502 14.432 4.443 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.313 15.847 6.128 1.00 0.00 C ATOM 0 H LEU A 20 1.336 16.653 2.354 1.00 0.00 H new ATOM 0 HA LEU A 20 0.564 14.881 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.549 17.206 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.368 16.197 2.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.736 16.535 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.241 14.179 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.977 14.437 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.702 13.692 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.068 15.574 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.483 15.142 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.949 16.853 6.337 1.00 0.00 H new ATOM 261 N PRO A 21 0.411 12.900 3.105 1.00 0.00 N ATOM 262 CA PRO A 21 0.210 11.682 2.316 1.00 0.00 C ATOM 263 C PRO A 21 -1.266 11.327 2.164 1.00 0.00 C ATOM 264 O PRO A 21 -2.138 11.907 2.811 1.00 0.00 O ATOM 265 CB PRO A 21 0.936 10.608 3.131 1.00 0.00 C ATOM 266 CG PRO A 21 0.926 11.122 4.529 1.00 0.00 C ATOM 267 CD PRO A 21 1.012 12.619 4.420 1.00 0.00 C ATOM 0 HA PRO A 21 0.583 11.790 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.428 9.646 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.954 10.459 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.017 10.820 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.766 10.723 5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.467 13.113 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.043 12.967 4.473 1.00 0.00 H new ATOM 275 N PRO A 22 -1.554 10.353 1.288 1.00 0.00 N ATOM 276 CA PRO A 22 -2.924 9.899 1.031 1.00 0.00 C ATOM 277 C PRO A 22 -3.516 9.144 2.216 1.00 0.00 C ATOM 278 O PRO A 22 -2.870 8.990 3.253 1.00 0.00 O ATOM 279 CB PRO A 22 -2.768 8.967 -0.173 1.00 0.00 C ATOM 280 CG PRO A 22 -1.361 8.484 -0.099 1.00 0.00 C ATOM 281 CD PRO A 22 -0.564 9.618 0.482 1.00 0.00 C ATOM 0 HA PRO A 22 -3.604 10.733 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.474 8.138 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.957 9.494 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.286 7.594 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.989 8.212 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.263 9.256 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.133 10.247 -0.297 1.00 0.00 H new ATOM 289 N VAL A 23 -4.749 8.674 2.056 1.00 0.00 N ATOM 290 CA VAL A 23 -5.428 7.933 3.112 1.00 0.00 C ATOM 291 C VAL A 23 -6.345 6.863 2.531 1.00 0.00 C ATOM 292 O VAL A 23 -6.388 6.659 1.318 1.00 0.00 O ATOM 293 CB VAL A 23 -6.257 8.870 4.011 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.373 9.949 4.617 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.402 9.489 3.222 1.00 0.00 C ATOM 0 H VAL A 23 -5.298 8.793 1.205 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.653 7.456 3.712 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.682 8.282 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.976 10.601 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.591 9.484 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.917 10.536 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.977 10.148 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.000 10.063 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.050 8.700 2.841 1.00 0.00 H new ATOM 305 N GLY A 24 -7.077 6.180 3.405 1.00 0.00 N ATOM 306 CA GLY A 24 -7.984 5.138 2.960 1.00 0.00 C ATOM 307 C GLY A 24 -7.347 4.211 1.942 1.00 0.00 C ATOM 308 O GLY A 24 -8.001 3.775 0.994 1.00 0.00 O ATOM 0 H GLY A 24 -7.058 6.330 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.314 4.556 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.872 5.595 2.525 1.00 0.00 H new ATOM 312 N VAL A 25 -6.068 3.910 2.138 1.00 0.00 N ATOM 313 CA VAL A 25 -5.342 3.030 1.229 1.00 0.00 C ATOM 314 C VAL A 25 -5.838 1.593 1.344 1.00 0.00 C ATOM 315 O VAL A 25 -5.621 0.931 2.358 1.00 0.00 O ATOM 316 CB VAL A 25 -3.827 3.063 1.507 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.071 2.291 0.436 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.332 4.499 1.592 1.00 0.00 C ATOM 0 H VAL A 25 -5.513 4.262 2.918 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.526 3.395 0.219 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.640 2.582 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.003 2.325 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.407 1.254 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.261 2.740 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.260 4.503 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.530 5.008 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.851 5.016 2.399 1.00 0.00 H new ATOM 328 N GLN A 26 -6.503 1.118 0.296 1.00 0.00 N ATOM 329 CA GLN A 26 -7.030 -0.242 0.279 1.00 0.00 C ATOM 330 C GLN A 26 -6.372 -1.067 -0.822 1.00 0.00 C ATOM 331 O GLN A 26 -6.155 -0.580 -1.931 1.00 0.00 O ATOM 332 CB GLN A 26 -8.547 -0.221 0.081 1.00 0.00 C ATOM 333 CG GLN A 26 -9.170 -1.606 0.007 1.00 0.00 C ATOM 334 CD GLN A 26 -10.672 -1.561 -0.193 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.441 -1.767 0.746 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.097 -1.288 -1.421 1.00 0.00 N ATOM 0 H GLN A 26 -6.690 1.654 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.803 -0.705 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.005 0.331 0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.778 0.322 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.715 -2.162 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.946 -2.150 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.423 -1.124 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.097 -1.242 -1.616 1.00 0.00 H new ATOM 345 N ALA A 27 -6.057 -2.319 -0.507 1.00 0.00 N ATOM 346 CA ALA A 27 -5.425 -3.213 -1.471 1.00 0.00 C ATOM 347 C ALA A 27 -6.361 -4.354 -1.857 1.00 0.00 C ATOM 348 O ALA A 27 -6.513 -5.323 -1.114 1.00 0.00 O ATOM 349 CB ALA A 27 -4.124 -3.763 -0.906 1.00 0.00 C ATOM 0 H ALA A 27 -6.229 -2.737 0.407 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.204 -2.639 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.663 -4.429 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.445 -2.939 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.330 -4.316 0.010 1.00 0.00 H new ATOM 355 N VAL A 28 -6.986 -4.231 -3.023 1.00 0.00 N ATOM 356 CA VAL A 28 -7.907 -5.252 -3.508 1.00 0.00 C ATOM 357 C VAL A 28 -7.177 -6.297 -4.345 1.00 0.00 C ATOM 358 O VAL A 28 -6.387 -5.960 -5.226 1.00 0.00 O ATOM 359 CB VAL A 28 -9.038 -4.633 -4.351 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.121 -5.665 -4.631 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.619 -3.415 -3.650 1.00 0.00 C ATOM 0 H VAL A 28 -6.871 -3.434 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.340 -5.731 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.622 -4.310 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.912 -5.210 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.691 -6.504 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.537 -6.021 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.417 -2.990 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.021 -3.710 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.836 -2.670 -3.506 1.00 0.00 H new ATOM 371 N ALA A 29 -7.449 -7.567 -4.063 1.00 0.00 N ATOM 372 CA ALA A 29 -6.820 -8.662 -4.792 1.00 0.00 C ATOM 373 C ALA A 29 -7.711 -9.147 -5.930 1.00 0.00 C ATOM 374 O ALA A 29 -8.776 -9.720 -5.698 1.00 0.00 O ATOM 375 CB ALA A 29 -6.499 -9.809 -3.845 1.00 0.00 C ATOM 0 H ALA A 29 -8.100 -7.863 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.891 -8.292 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.030 -10.620 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.818 -9.460 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.419 -10.169 -3.385 1.00 0.00 H new ATOM 381 N LEU A 30 -7.269 -8.913 -7.161 1.00 0.00 N ATOM 382 CA LEU A 30 -8.027 -9.326 -8.337 1.00 0.00 C ATOM 383 C LEU A 30 -7.771 -10.794 -8.663 1.00 0.00 C ATOM 384 O LEU A 30 -8.705 -11.589 -8.773 1.00 0.00 O ATOM 385 CB LEU A 30 -7.658 -8.453 -9.538 1.00 0.00 C ATOM 386 CG LEU A 30 -7.666 -6.943 -9.299 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.943 -6.220 -10.425 1.00 0.00 C ATOM 388 CD2 LEU A 30 -9.093 -6.432 -9.164 1.00 0.00 C ATOM 0 H LEU A 30 -6.390 -8.440 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.087 -9.202 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.664 -8.741 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.350 -8.676 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.139 -6.739 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.959 -5.146 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.910 -6.564 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.441 -6.430 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.079 -5.355 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.645 -6.648 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.578 -6.926 -8.322 1.00 0.00 H new ATOM 400 N THR A 31 -6.499 -11.148 -8.814 1.00 0.00 N ATOM 401 CA THR A 31 -6.120 -12.520 -9.126 1.00 0.00 C ATOM 402 C THR A 31 -4.781 -12.878 -8.490 1.00 0.00 C ATOM 403 O THR A 31 -4.132 -12.036 -7.870 1.00 0.00 O ATOM 404 CB THR A 31 -6.030 -12.747 -10.647 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.145 -14.144 -10.941 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.716 -12.214 -11.197 1.00 0.00 C ATOM 0 H THR A 31 -5.714 -10.503 -8.725 1.00 0.00 H new ATOM 0 HA THR A 31 -6.898 -13.164 -8.716 1.00 0.00 H new ATOM 0 HB THR A 31 -6.849 -12.207 -11.122 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.260 -14.562 -10.893 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.675 -12.386 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.645 -11.145 -10.997 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.885 -12.729 -10.716 1.00 0.00 H new ATOM 414 N HIS A 32 -4.372 -14.133 -8.649 1.00 0.00 N ATOM 415 CA HIS A 32 -3.109 -14.602 -8.092 1.00 0.00 C ATOM 416 C HIS A 32 -1.968 -13.660 -8.463 1.00 0.00 C ATOM 417 O HIS A 32 -1.058 -13.428 -7.667 1.00 0.00 O ATOM 418 CB HIS A 32 -2.801 -16.015 -8.589 1.00 0.00 C ATOM 419 CG HIS A 32 -2.924 -16.168 -10.074 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.131 -16.365 -10.712 1.00 0.00 N ATOM 421 CD2 HIS A 32 -1.984 -16.150 -11.047 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.926 -16.464 -12.014 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.632 -16.336 -12.243 1.00 0.00 N ATOM 0 H HIS A 32 -4.897 -14.843 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.204 -14.619 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.789 -16.285 -8.287 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.477 -16.718 -8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.922 -16.015 -10.909 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.688 -16.623 -12.763 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.186 -16.370 -13.160 1.00 0.00 H new ATOM 432 N ASP A 33 -2.023 -13.121 -9.676 1.00 0.00 N ATOM 433 CA ASP A 33 -0.995 -12.204 -10.153 1.00 0.00 C ATOM 434 C ASP A 33 -1.598 -10.849 -10.511 1.00 0.00 C ATOM 435 O ASP A 33 -1.252 -10.254 -11.530 1.00 0.00 O ATOM 436 CB ASP A 33 -0.279 -12.794 -11.369 1.00 0.00 C ATOM 437 CG ASP A 33 0.465 -14.073 -11.038 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.730 -14.312 -9.842 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.782 -14.834 -11.976 1.00 0.00 O ATOM 0 H ASP A 33 -2.769 -13.304 -10.347 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.272 -12.059 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.008 -12.994 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.423 -12.060 -11.765 1.00 0.00 H new ATOM 444 N ALA A 34 -2.504 -10.369 -9.665 1.00 0.00 N ATOM 445 CA ALA A 34 -3.155 -9.084 -9.891 1.00 0.00 C ATOM 446 C ALA A 34 -3.686 -8.501 -8.586 1.00 0.00 C ATOM 447 O ALA A 34 -4.219 -9.222 -7.743 1.00 0.00 O ATOM 448 CB ALA A 34 -4.282 -9.235 -10.901 1.00 0.00 C ATOM 0 H ALA A 34 -2.804 -10.850 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.413 -8.393 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.760 -8.268 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.878 -9.600 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.017 -9.945 -10.522 1.00 0.00 H new ATOM 454 N VAL A 35 -3.536 -7.190 -8.425 1.00 0.00 N ATOM 455 CA VAL A 35 -4.001 -6.509 -7.223 1.00 0.00 C ATOM 456 C VAL A 35 -4.325 -5.047 -7.509 1.00 0.00 C ATOM 457 O VAL A 35 -3.458 -4.278 -7.924 1.00 0.00 O ATOM 458 CB VAL A 35 -2.953 -6.580 -6.097 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.207 -5.495 -5.061 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.957 -7.957 -5.450 1.00 0.00 C ATOM 0 H VAL A 35 -3.096 -6.578 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.907 -7.022 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.968 -6.411 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.456 -5.561 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.148 -4.516 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.199 -5.629 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.210 -7.988 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.942 -8.158 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.722 -8.712 -6.200 1.00 0.00 H new ATOM 470 N ARG A 36 -5.580 -4.670 -7.284 1.00 0.00 N ATOM 471 CA ARG A 36 -6.019 -3.300 -7.519 1.00 0.00 C ATOM 472 C ARG A 36 -5.928 -2.473 -6.240 1.00 0.00 C ATOM 473 O ARG A 36 -6.757 -2.609 -5.340 1.00 0.00 O ATOM 474 CB ARG A 36 -7.455 -3.285 -8.047 1.00 0.00 C ATOM 475 CG ARG A 36 -8.160 -1.952 -7.859 1.00 0.00 C ATOM 476 CD ARG A 36 -7.631 -0.901 -8.822 1.00 0.00 C ATOM 477 NE ARG A 36 -8.682 0.008 -9.271 1.00 0.00 N ATOM 478 CZ ARG A 36 -9.473 -0.238 -10.309 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.333 -1.360 -11.002 1.00 0.00 N ATOM 480 NH2 ARG A 36 -10.407 0.638 -10.656 1.00 0.00 N ATOM 0 H ARG A 36 -6.310 -5.294 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.360 -2.857 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.445 -3.535 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.027 -4.063 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.231 -2.081 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.024 -1.609 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.840 -0.329 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.184 -1.393 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.816 0.880 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.617 -2.036 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.942 -1.547 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.518 1.502 -10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.014 0.448 -11.454 1.00 0.00 H new ATOM 494 N VAL A 37 -4.915 -1.616 -6.166 1.00 0.00 N ATOM 495 CA VAL A 37 -4.716 -0.766 -4.998 1.00 0.00 C ATOM 496 C VAL A 37 -5.267 0.635 -5.236 1.00 0.00 C ATOM 497 O VAL A 37 -4.671 1.432 -5.961 1.00 0.00 O ATOM 498 CB VAL A 37 -3.224 -0.663 -4.627 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.050 0.102 -3.324 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.603 -2.048 -4.529 1.00 0.00 C ATOM 0 H VAL A 37 -4.219 -1.492 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.257 -1.230 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.708 -0.114 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.990 0.165 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.457 1.107 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.578 -0.417 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.549 -1.956 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.119 -2.625 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.695 -2.557 -5.489 1.00 0.00 H new ATOM 510 N SER A 38 -6.408 0.928 -4.622 1.00 0.00 N ATOM 511 CA SER A 38 -7.043 2.233 -4.770 1.00 0.00 C ATOM 512 C SER A 38 -7.150 2.941 -3.423 1.00 0.00 C ATOM 513 O SER A 38 -7.587 2.352 -2.433 1.00 0.00 O ATOM 514 CB SER A 38 -8.432 2.080 -5.391 1.00 0.00 C ATOM 515 OG SER A 38 -8.356 1.475 -6.670 1.00 0.00 O ATOM 0 H SER A 38 -6.912 0.280 -4.017 1.00 0.00 H new ATOM 0 HA SER A 38 -6.423 2.839 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.062 1.477 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.905 3.058 -5.476 1.00 0.00 H new ATOM 0 HG SER A 38 -9.094 0.839 -6.775 1.00 0.00 H new ATOM 521 N TRP A 39 -6.749 4.206 -3.393 1.00 0.00 N ATOM 522 CA TRP A 39 -6.800 4.996 -2.167 1.00 0.00 C ATOM 523 C TRP A 39 -7.662 6.239 -2.356 1.00 0.00 C ATOM 524 O TRP A 39 -8.269 6.430 -3.409 1.00 0.00 O ATOM 525 CB TRP A 39 -5.389 5.398 -1.737 1.00 0.00 C ATOM 526 CG TRP A 39 -4.618 6.103 -2.812 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.381 7.445 -2.905 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.987 5.503 -3.948 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.639 7.715 -4.030 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.384 6.540 -4.686 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.870 4.190 -4.412 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.677 6.303 -5.862 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.169 3.956 -5.580 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.579 5.008 -6.294 1.00 0.00 C ATOM 0 H TRP A 39 -6.385 4.708 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.249 4.382 -1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.454 6.045 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.842 4.506 -1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.726 8.185 -2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.329 8.640 -4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.319 3.373 -3.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.222 7.112 -6.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.074 2.945 -5.949 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.037 4.793 -7.203 1.00 0.00 H new ATOM 545 N ALA A 40 -7.710 7.082 -1.330 1.00 0.00 N ATOM 546 CA ALA A 40 -8.495 8.308 -1.385 1.00 0.00 C ATOM 547 C ALA A 40 -7.625 9.530 -1.110 1.00 0.00 C ATOM 548 O ALA A 40 -6.660 9.459 -0.350 1.00 0.00 O ATOM 549 CB ALA A 40 -9.646 8.243 -0.391 1.00 0.00 C ATOM 0 H ALA A 40 -7.214 6.938 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.903 8.404 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.224 9.166 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.289 7.397 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.250 8.119 0.617 1.00 0.00 H new ATOM 555 N ASP A 41 -7.973 10.651 -1.734 1.00 0.00 N ATOM 556 CA ASP A 41 -7.224 11.889 -1.557 1.00 0.00 C ATOM 557 C ASP A 41 -7.858 12.758 -0.475 1.00 0.00 C ATOM 558 O ASP A 41 -9.047 13.070 -0.534 1.00 0.00 O ATOM 559 CB ASP A 41 -7.156 12.662 -2.875 1.00 0.00 C ATOM 560 CG ASP A 41 -8.527 12.900 -3.478 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.526 12.468 -2.867 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.600 13.516 -4.562 1.00 0.00 O ATOM 0 H ASP A 41 -8.769 10.727 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.212 11.631 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.665 13.620 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.541 12.110 -3.585 1.00 0.00 H new ATOM 753 N ARG A 54 2.196 17.234 -9.136 1.00 0.00 N ATOM 754 CA ARG A 54 2.379 16.203 -8.122 1.00 0.00 C ATOM 755 C ARG A 54 2.424 14.817 -8.758 1.00 0.00 C ATOM 756 O ARG A 54 2.100 14.651 -9.935 1.00 0.00 O ATOM 757 CB ARG A 54 1.252 16.266 -7.090 1.00 0.00 C ATOM 758 CG ARG A 54 -0.126 16.455 -7.704 1.00 0.00 C ATOM 759 CD ARG A 54 -0.633 15.171 -8.341 1.00 0.00 C ATOM 760 NE ARG A 54 -2.014 15.296 -8.800 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.054 15.401 -7.981 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.871 15.396 -6.668 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.281 15.511 -8.475 1.00 0.00 N ATOM 0 HA ARG A 54 3.330 16.386 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.256 15.347 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.448 17.086 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.826 16.782 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.086 17.244 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.006 14.907 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.563 14.356 -7.620 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.189 15.303 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.930 15.311 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.672 15.477 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.426 15.515 -9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.079 15.592 -7.845 1.00 0.00 H new ATOM 777 N LEU A 55 2.829 13.824 -7.973 1.00 0.00 N ATOM 778 CA LEU A 55 2.917 12.451 -8.459 1.00 0.00 C ATOM 779 C LEU A 55 2.644 11.457 -7.335 1.00 0.00 C ATOM 780 O LEU A 55 2.926 11.731 -6.169 1.00 0.00 O ATOM 781 CB LEU A 55 4.298 12.191 -9.062 1.00 0.00 C ATOM 782 CG LEU A 55 4.685 10.723 -9.243 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.160 10.191 -10.567 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.196 10.555 -9.160 1.00 0.00 C ATOM 0 H LEU A 55 3.102 13.944 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 55 2.159 12.315 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.346 12.681 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.045 12.668 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 55 4.230 10.146 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.445 9.145 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.073 10.275 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.584 10.771 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.453 9.504 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.671 11.145 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.547 10.896 -8.186 1.00 0.00 H new ATOM 796 N TYR A 56 2.095 10.302 -7.695 1.00 0.00 N ATOM 797 CA TYR A 56 1.784 9.266 -6.716 1.00 0.00 C ATOM 798 C TYR A 56 2.527 7.973 -7.037 1.00 0.00 C ATOM 799 O TYR A 56 2.330 7.375 -8.095 1.00 0.00 O ATOM 800 CB TYR A 56 0.277 9.006 -6.680 1.00 0.00 C ATOM 801 CG TYR A 56 -0.503 10.071 -5.942 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.379 11.412 -6.283 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.364 9.736 -4.905 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.089 12.388 -5.612 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.080 10.705 -4.229 1.00 0.00 C ATOM 806 CZ TYR A 56 -1.939 12.030 -4.586 1.00 0.00 C ATOM 807 OH TYR A 56 -2.649 12.999 -3.915 1.00 0.00 O ATOM 0 H TYR A 56 1.856 10.059 -8.657 1.00 0.00 H new ATOM 0 HA TYR A 56 2.109 9.617 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.096 8.937 -7.702 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.094 8.041 -6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.284 11.696 -7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.476 8.700 -4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.979 13.426 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.746 10.427 -3.426 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.201 12.579 -3.223 1.00 0.00 H new ATOM 817 N THR A 57 3.384 7.546 -6.115 1.00 0.00 N ATOM 818 CA THR A 57 4.158 6.325 -6.297 1.00 0.00 C ATOM 819 C THR A 57 3.534 5.159 -5.539 1.00 0.00 C ATOM 820 O THR A 57 2.904 5.349 -4.498 1.00 0.00 O ATOM 821 CB THR A 57 5.614 6.507 -5.827 1.00 0.00 C ATOM 822 OG1 THR A 57 6.185 7.668 -6.441 1.00 0.00 O ATOM 823 CG2 THR A 57 6.450 5.283 -6.169 1.00 0.00 C ATOM 0 H THR A 57 3.559 8.029 -5.234 1.00 0.00 H new ATOM 0 HA THR A 57 4.153 6.105 -7.365 1.00 0.00 H new ATOM 0 HB THR A 57 5.610 6.634 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.302 8.370 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.474 5.435 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.030 4.406 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.446 5.130 -7.248 1.00 0.00 H new ATOM 831 N VAL A 58 3.712 3.952 -6.067 1.00 0.00 N ATOM 832 CA VAL A 58 3.167 2.755 -5.438 1.00 0.00 C ATOM 833 C VAL A 58 4.222 1.660 -5.335 1.00 0.00 C ATOM 834 O VAL A 58 4.841 1.284 -6.331 1.00 0.00 O ATOM 835 CB VAL A 58 1.955 2.213 -6.220 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.242 1.134 -5.419 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.001 3.344 -6.574 1.00 0.00 C ATOM 0 H VAL A 58 4.229 3.777 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 58 2.846 3.041 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 58 2.313 1.766 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.389 0.763 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.931 0.313 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.895 1.552 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.151 2.943 -7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.648 3.822 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.520 4.078 -7.190 1.00 0.00 H new ATOM 847 N ARG A 59 4.422 1.151 -4.124 1.00 0.00 N ATOM 848 CA ARG A 59 5.403 0.098 -3.890 1.00 0.00 C ATOM 849 C ARG A 59 4.739 -1.143 -3.301 1.00 0.00 C ATOM 850 O ARG A 59 3.710 -1.050 -2.632 1.00 0.00 O ATOM 851 CB ARG A 59 6.503 0.596 -2.950 1.00 0.00 C ATOM 852 CG ARG A 59 6.104 0.581 -1.484 1.00 0.00 C ATOM 853 CD ARG A 59 7.141 1.276 -0.616 1.00 0.00 C ATOM 854 NE ARG A 59 6.619 1.601 0.708 1.00 0.00 N ATOM 855 CZ ARG A 59 6.368 0.692 1.643 1.00 0.00 C ATOM 856 NH1 ARG A 59 6.591 -0.592 1.400 1.00 0.00 N ATOM 857 NH2 ARG A 59 5.893 1.066 2.824 1.00 0.00 N ATOM 0 H ARG A 59 3.918 1.451 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 59 5.847 -0.169 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.390 -0.023 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.778 1.612 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.139 1.073 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.980 -0.449 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.016 0.634 -0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.472 2.190 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 59 6.437 2.580 0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.956 -0.884 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.397 -1.288 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.720 2.053 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.701 0.367 3.541 1.00 0.00 H new ATOM 871 N TRP A 60 5.335 -2.303 -3.554 1.00 0.00 N ATOM 872 CA TRP A 60 4.801 -3.562 -3.049 1.00 0.00 C ATOM 873 C TRP A 60 5.835 -4.677 -3.165 1.00 0.00 C ATOM 874 O TRP A 60 6.458 -4.852 -4.212 1.00 0.00 O ATOM 875 CB TRP A 60 3.533 -3.945 -3.814 1.00 0.00 C ATOM 876 CG TRP A 60 3.759 -4.134 -5.284 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.022 -5.309 -5.928 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.744 -3.116 -6.290 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.172 -5.083 -7.275 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.005 -3.746 -7.523 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.534 -1.735 -6.271 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.062 -3.040 -8.722 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.591 -1.036 -7.462 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.853 -1.689 -8.674 1.00 0.00 C ATOM 0 H TRP A 60 6.188 -2.397 -4.106 1.00 0.00 H new ATOM 0 HA TRP A 60 4.555 -3.427 -1.996 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.129 -4.866 -3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.780 -3.170 -3.666 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.101 -6.274 -5.449 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.375 -5.795 -7.977 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.331 -1.223 -5.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.264 -3.541 -9.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.431 0.032 -7.459 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.891 -1.115 -9.588 1.00 0.00 H new ATOM 895 N ARG A 61 6.012 -5.428 -2.083 1.00 0.00 N ATOM 896 CA ARG A 61 6.972 -6.525 -2.063 1.00 0.00 C ATOM 897 C ARG A 61 6.726 -7.442 -0.868 1.00 0.00 C ATOM 898 O ARG A 61 6.117 -7.037 0.124 1.00 0.00 O ATOM 899 CB ARG A 61 8.400 -5.981 -2.016 1.00 0.00 C ATOM 900 CG ARG A 61 9.445 -7.038 -1.698 1.00 0.00 C ATOM 901 CD ARG A 61 9.635 -8.001 -2.860 1.00 0.00 C ATOM 902 NE ARG A 61 10.054 -9.326 -2.410 1.00 0.00 N ATOM 903 CZ ARG A 61 10.089 -10.393 -3.199 1.00 0.00 C ATOM 904 NH1 ARG A 61 9.731 -10.292 -4.472 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.482 -11.565 -2.716 1.00 0.00 N ATOM 0 H ARG A 61 5.503 -5.297 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 61 6.841 -7.105 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.638 -5.525 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.454 -5.192 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.394 -6.555 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.144 -7.593 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.702 -8.086 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.380 -7.599 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 61 10.335 -9.438 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.428 -9.393 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.759 -11.113 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.758 -11.647 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.508 -12.384 -3.323 1.00 0.00 H new ATOM 919 N THR A 62 7.202 -8.679 -0.969 1.00 0.00 N ATOM 920 CA THR A 62 7.033 -9.653 0.102 1.00 0.00 C ATOM 921 C THR A 62 7.012 -8.972 1.466 1.00 0.00 C ATOM 922 O THR A 62 7.829 -8.096 1.746 1.00 0.00 O ATOM 923 CB THR A 62 8.155 -10.707 0.085 1.00 0.00 C ATOM 924 OG1 THR A 62 9.426 -10.068 -0.081 1.00 0.00 O ATOM 925 CG2 THR A 62 7.937 -11.711 -1.037 1.00 0.00 C ATOM 0 H THR A 62 7.708 -9.030 -1.782 1.00 0.00 H new ATOM 0 HA THR A 62 6.077 -10.148 -0.069 1.00 0.00 H new ATOM 0 HB THR A 62 8.138 -11.239 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.142 -10.720 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.742 -12.446 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.982 -12.217 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.930 -11.191 -1.995 1.00 0.00 H new ATOM 933 N SER A 63 6.072 -9.382 2.312 1.00 0.00 N ATOM 934 CA SER A 63 5.942 -8.809 3.647 1.00 0.00 C ATOM 935 C SER A 63 6.874 -9.509 4.631 1.00 0.00 C ATOM 936 O SER A 63 7.023 -10.731 4.601 1.00 0.00 O ATOM 937 CB SER A 63 4.496 -8.915 4.132 1.00 0.00 C ATOM 938 OG SER A 63 4.197 -7.898 5.073 1.00 0.00 O ATOM 0 H SER A 63 5.389 -10.109 2.097 1.00 0.00 H new ATOM 0 HA SER A 63 6.223 -7.757 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.818 -8.839 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.332 -9.893 4.584 1.00 0.00 H new ATOM 0 HG SER A 63 3.266 -7.987 5.366 1.00 0.00 H new ATOM 1028 N TYR A 70 12.100 -4.159 -3.782 1.00 0.00 N ATOM 1029 CA TYR A 70 10.774 -3.553 -3.786 1.00 0.00 C ATOM 1030 C TYR A 70 10.507 -2.834 -5.105 1.00 0.00 C ATOM 1031 O TYR A 70 11.391 -2.183 -5.661 1.00 0.00 O ATOM 1032 CB TYR A 70 10.636 -2.572 -2.620 1.00 0.00 C ATOM 1033 CG TYR A 70 10.086 -3.202 -1.360 1.00 0.00 C ATOM 1034 CD1 TYR A 70 10.662 -4.347 -0.825 1.00 0.00 C ATOM 1035 CD2 TYR A 70 8.992 -2.650 -0.705 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.163 -4.926 0.326 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.487 -3.222 0.447 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.076 -4.360 0.958 1.00 0.00 C ATOM 1039 OH TYR A 70 8.576 -4.933 2.105 1.00 0.00 O ATOM 0 HA TYR A 70 10.038 -4.349 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.612 -2.139 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.983 -1.752 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.514 -4.792 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.529 -1.759 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.622 -5.817 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.636 -2.781 0.945 1.00 0.00 H new ATOM 0 HH TYR A 70 8.356 -5.872 1.932 1.00 0.00 H new ATOM 1049 N LYS A 71 9.280 -2.956 -5.599 1.00 0.00 N ATOM 1050 CA LYS A 71 8.892 -2.318 -6.852 1.00 0.00 C ATOM 1051 C LYS A 71 8.426 -0.886 -6.611 1.00 0.00 C ATOM 1052 O LYS A 71 8.158 -0.493 -5.476 1.00 0.00 O ATOM 1053 CB LYS A 71 7.782 -3.120 -7.534 1.00 0.00 C ATOM 1054 CG LYS A 71 7.515 -2.692 -8.967 1.00 0.00 C ATOM 1055 CD LYS A 71 6.867 -3.807 -9.771 1.00 0.00 C ATOM 1056 CE LYS A 71 7.909 -4.690 -10.440 1.00 0.00 C ATOM 1057 NZ LYS A 71 7.334 -5.465 -11.574 1.00 0.00 N ATOM 0 H LYS A 71 8.536 -3.491 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 71 9.765 -2.292 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.049 -4.177 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.864 -3.018 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.867 -1.815 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.452 -2.398 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.241 -4.413 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.212 -3.377 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.730 -4.072 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.328 -5.378 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.076 -6.054 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.567 -6.074 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.957 -4.809 -12.287 1.00 0.00 H new ATOM 1071 N SER A 72 8.329 -0.111 -7.687 1.00 0.00 N ATOM 1072 CA SER A 72 7.897 1.278 -7.592 1.00 0.00 C ATOM 1073 C SER A 72 7.418 1.792 -8.946 1.00 0.00 C ATOM 1074 O SER A 72 8.156 1.759 -9.930 1.00 0.00 O ATOM 1075 CB SER A 72 9.039 2.156 -7.075 1.00 0.00 C ATOM 1076 OG SER A 72 10.214 1.968 -7.845 1.00 0.00 O ATOM 0 H SER A 72 8.544 -0.422 -8.634 1.00 0.00 H new ATOM 0 HA SER A 72 7.065 1.326 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.741 3.204 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.242 1.917 -6.031 1.00 0.00 H new ATOM 0 HG SER A 72 9.969 1.754 -8.769 1.00 0.00 H new ATOM 1082 N GLU A 73 6.177 2.267 -8.986 1.00 0.00 N ATOM 1083 CA GLU A 73 5.598 2.787 -10.220 1.00 0.00 C ATOM 1084 C GLU A 73 5.072 4.205 -10.018 1.00 0.00 C ATOM 1085 O GLU A 73 4.583 4.550 -8.942 1.00 0.00 O ATOM 1086 CB GLU A 73 4.469 1.875 -10.703 1.00 0.00 C ATOM 1087 CG GLU A 73 4.927 0.802 -11.676 1.00 0.00 C ATOM 1088 CD GLU A 73 5.706 1.369 -12.847 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.673 2.603 -13.038 1.00 0.00 O ATOM 1090 OE2 GLU A 73 6.349 0.581 -13.571 1.00 0.00 O ATOM 0 H GLU A 73 5.554 2.303 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 73 6.382 2.814 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.005 1.397 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.701 2.483 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.548 0.079 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.058 0.262 -12.051 1.00 0.00 H new ATOM 1097 N ASP A 74 5.176 5.022 -11.060 1.00 0.00 N ATOM 1098 CA ASP A 74 4.710 6.402 -10.999 1.00 0.00 C ATOM 1099 C ASP A 74 3.365 6.554 -11.703 1.00 0.00 C ATOM 1100 O ASP A 74 3.257 6.345 -12.912 1.00 0.00 O ATOM 1101 CB ASP A 74 5.740 7.339 -11.633 1.00 0.00 C ATOM 1102 CG ASP A 74 5.872 7.127 -13.128 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.117 7.770 -13.887 1.00 0.00 O ATOM 1104 OD2 ASP A 74 6.730 6.318 -13.539 1.00 0.00 O ATOM 0 H ASP A 74 5.579 4.752 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 74 4.583 6.670 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.454 8.373 -11.439 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.709 7.182 -11.160 1.00 0.00 H new ATOM 1109 N THR A 75 2.340 6.918 -10.939 1.00 0.00 N ATOM 1110 CA THR A 75 1.002 7.095 -11.488 1.00 0.00 C ATOM 1111 C THR A 75 0.335 8.343 -10.920 1.00 0.00 C ATOM 1112 O THR A 75 0.602 8.740 -9.785 1.00 0.00 O ATOM 1113 CB THR A 75 0.110 5.873 -11.199 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.109 5.970 -11.944 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.204 5.771 -9.714 1.00 0.00 C ATOM 0 H THR A 75 2.411 7.096 -9.937 1.00 0.00 H new ATOM 0 HA THR A 75 1.115 7.206 -12.566 1.00 0.00 H new ATOM 0 HB THR A 75 0.651 4.976 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.670 5.189 -11.756 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.835 4.901 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.724 5.668 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.727 6.671 -9.390 1.00 0.00 H new ATOM 1123 N THR A 76 -0.535 8.957 -11.715 1.00 0.00 N ATOM 1124 CA THR A 76 -1.240 10.160 -11.291 1.00 0.00 C ATOM 1125 C THR A 76 -2.675 9.843 -10.887 1.00 0.00 C ATOM 1126 O THR A 76 -3.467 10.745 -10.613 1.00 0.00 O ATOM 1127 CB THR A 76 -1.256 11.224 -12.405 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.708 10.641 -13.633 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.128 11.823 -12.602 1.00 0.00 C ATOM 0 H THR A 76 -0.768 8.641 -12.656 1.00 0.00 H new ATOM 0 HA THR A 76 -0.701 10.554 -10.429 1.00 0.00 H new ATOM 0 HB THR A 76 -1.939 12.019 -12.107 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.717 11.324 -14.336 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.091 12.571 -13.394 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.457 12.292 -11.675 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.829 11.036 -12.879 1.00 0.00 H new ATOM 1137 N SER A 77 -3.004 8.556 -10.851 1.00 0.00 N ATOM 1138 CA SER A 77 -4.346 8.119 -10.482 1.00 0.00 C ATOM 1139 C SER A 77 -4.363 7.552 -9.066 1.00 0.00 C ATOM 1140 O SER A 77 -3.314 7.268 -8.485 1.00 0.00 O ATOM 1141 CB SER A 77 -4.852 7.068 -11.471 1.00 0.00 C ATOM 1142 OG SER A 77 -4.978 7.611 -12.774 1.00 0.00 O ATOM 0 H SER A 77 -2.360 7.797 -11.073 1.00 0.00 H new ATOM 0 HA SER A 77 -5.006 8.986 -10.515 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.164 6.223 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.817 6.686 -11.138 1.00 0.00 H new ATOM 0 HG SER A 77 -5.301 6.918 -13.387 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.560 7.390 -8.515 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.716 6.856 -7.166 1.00 0.00 C ATOM 1150 C LEU A 78 -5.995 5.357 -7.202 1.00 0.00 C ATOM 1151 O LEU A 78 -6.655 4.816 -6.316 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.851 7.580 -6.439 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.777 9.107 -6.430 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.161 9.707 -6.237 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.828 9.589 -5.343 1.00 0.00 C ATOM 0 H LEU A 78 -6.437 7.621 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.783 7.020 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.795 7.285 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.875 7.231 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.391 9.439 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.089 10.795 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.812 9.389 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.576 9.368 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.788 10.678 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.184 9.247 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.831 9.188 -5.526 1.00 0.00 H new ATOM 1167 N SER A 79 -5.484 4.690 -8.233 1.00 0.00 N ATOM 1168 CA SER A 79 -5.679 3.253 -8.386 1.00 0.00 C ATOM 1169 C SER A 79 -4.599 2.651 -9.280 1.00 0.00 C ATOM 1170 O SER A 79 -4.338 3.145 -10.376 1.00 0.00 O ATOM 1171 CB SER A 79 -7.062 2.964 -8.971 1.00 0.00 C ATOM 1172 OG SER A 79 -7.143 3.388 -10.321 1.00 0.00 O ATOM 0 H SER A 79 -4.932 5.122 -8.974 1.00 0.00 H new ATOM 0 HA SER A 79 -5.607 2.794 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.271 1.896 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.824 3.473 -8.380 1.00 0.00 H new ATOM 0 HG SER A 79 -6.248 3.379 -10.721 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.975 1.579 -8.802 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.922 0.910 -9.556 1.00 0.00 C ATOM 1180 C TYR A 80 -3.081 -0.606 -9.486 1.00 0.00 C ATOM 1181 O TYR A 80 -3.425 -1.159 -8.441 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.547 1.314 -9.022 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.401 0.578 -9.678 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.099 -0.732 -9.326 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.378 1.191 -10.651 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.947 -1.408 -9.923 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.426 0.522 -11.254 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.707 -0.777 -10.886 1.00 0.00 C ATOM 1189 OH TYR A 80 2.749 -1.448 -11.484 1.00 0.00 O ATOM 0 H TYR A 80 -4.180 1.156 -7.897 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.005 1.219 -10.598 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.410 2.385 -9.168 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.516 1.133 -7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.692 -1.230 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.161 2.208 -10.941 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.169 -2.426 -9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.022 1.014 -12.009 1.00 0.00 H new ATOM 0 HH TYR A 80 3.154 -2.065 -10.839 1.00 0.00 H new ATOM 1199 N THR A 81 -2.828 -1.274 -10.607 1.00 0.00 N ATOM 1200 CA THR A 81 -2.944 -2.725 -10.675 1.00 0.00 C ATOM 1201 C THR A 81 -1.570 -3.387 -10.671 1.00 0.00 C ATOM 1202 O THR A 81 -0.752 -3.145 -11.558 1.00 0.00 O ATOM 1203 CB THR A 81 -3.711 -3.169 -11.935 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.896 -2.381 -12.090 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.083 -4.642 -11.850 1.00 0.00 C ATOM 0 H THR A 81 -2.541 -0.833 -11.481 1.00 0.00 H new ATOM 0 HA THR A 81 -3.499 -3.039 -9.791 1.00 0.00 H new ATOM 0 HB THR A 81 -3.063 -3.023 -12.799 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.377 -2.668 -12.894 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.624 -4.933 -12.750 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.177 -5.242 -11.761 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.715 -4.808 -10.978 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.324 -4.222 -9.668 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.050 -4.921 -9.550 1.00 0.00 C ATOM 1215 C ALA A 82 -0.110 -6.288 -10.222 1.00 0.00 C ATOM 1216 O ALA A 82 -0.581 -7.261 -9.632 1.00 0.00 O ATOM 1217 CB ALA A 82 0.340 -5.066 -8.087 1.00 0.00 C ATOM 0 H ALA A 82 -1.990 -4.431 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 82 0.710 -4.328 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.293 -5.590 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.434 -4.078 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.427 -5.634 -7.561 1.00 0.00 H new ATOM 1223 N THR A 83 0.370 -6.357 -11.459 1.00 0.00 N ATOM 1224 CA THR A 83 0.370 -7.605 -12.212 1.00 0.00 C ATOM 1225 C THR A 83 1.726 -8.297 -12.130 1.00 0.00 C ATOM 1226 O THR A 83 2.748 -7.655 -11.892 1.00 0.00 O ATOM 1227 CB THR A 83 0.015 -7.368 -13.692 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.080 -6.670 -14.346 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.274 -6.570 -13.818 1.00 0.00 C ATOM 0 H THR A 83 0.764 -5.562 -11.962 1.00 0.00 H new ATOM 0 HA THR A 83 -0.389 -8.245 -11.762 1.00 0.00 H new ATOM 0 HB THR A 83 -0.129 -8.338 -14.168 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.847 -6.525 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.504 -6.415 -14.872 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.089 -7.118 -13.345 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.153 -5.604 -13.327 1.00 0.00 H new ATOM 1237 N GLY A 84 1.727 -9.611 -12.331 1.00 0.00 N ATOM 1238 CA GLY A 84 2.964 -10.368 -12.276 1.00 0.00 C ATOM 1239 C GLY A 84 3.485 -10.527 -10.861 1.00 0.00 C ATOM 1240 O GLY A 84 4.646 -10.223 -10.582 1.00 0.00 O ATOM 0 H GLY A 84 0.894 -10.165 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.803 -11.353 -12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.719 -9.869 -12.884 1.00 0.00 H new ATOM 1244 N LEU A 85 2.626 -11.002 -9.966 1.00 0.00 N ATOM 1245 CA LEU A 85 3.006 -11.199 -8.571 1.00 0.00 C ATOM 1246 C LEU A 85 3.100 -12.684 -8.237 1.00 0.00 C ATOM 1247 O LEU A 85 2.935 -13.539 -9.107 1.00 0.00 O ATOM 1248 CB LEU A 85 1.994 -10.519 -7.647 1.00 0.00 C ATOM 1249 CG LEU A 85 1.439 -9.179 -8.129 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.086 -8.901 -7.492 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.416 -8.054 -7.819 1.00 0.00 C ATOM 0 H LEU A 85 1.662 -11.258 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 85 3.987 -10.749 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.158 -11.201 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.465 -10.366 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 85 1.306 -9.231 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.293 -7.943 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.613 -9.691 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.194 -8.869 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.004 -7.108 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.581 -8.002 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.363 -8.246 -8.323 1.00 0.00 H new ATOM 1263 N LYS A 86 3.364 -12.984 -6.970 1.00 0.00 N ATOM 1264 CA LYS A 86 3.477 -14.366 -6.518 1.00 0.00 C ATOM 1265 C LYS A 86 2.168 -14.844 -5.898 1.00 0.00 C ATOM 1266 O LYS A 86 1.580 -14.181 -5.043 1.00 0.00 O ATOM 1267 CB LYS A 86 4.614 -14.501 -5.503 1.00 0.00 C ATOM 1268 CG LYS A 86 5.193 -15.903 -5.421 1.00 0.00 C ATOM 1269 CD LYS A 86 6.558 -15.904 -4.752 1.00 0.00 C ATOM 1270 CE LYS A 86 6.437 -16.050 -3.243 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.616 -16.747 -2.657 1.00 0.00 N ATOM 0 H LYS A 86 3.504 -12.288 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 86 3.697 -14.989 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.409 -13.803 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.247 -14.210 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.513 -16.547 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.278 -16.322 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.160 -16.721 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.081 -14.978 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.336 -15.064 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.530 -16.606 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.496 -16.827 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.698 -17.698 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.478 -16.204 -2.864 1.00 0.00 H new ATOM 1285 N PRO A 87 1.701 -16.022 -6.335 1.00 0.00 N ATOM 1286 CA PRO A 87 0.457 -16.616 -5.834 1.00 0.00 C ATOM 1287 C PRO A 87 0.582 -17.090 -4.390 1.00 0.00 C ATOM 1288 O PRO A 87 1.635 -17.571 -3.974 1.00 0.00 O ATOM 1289 CB PRO A 87 0.230 -17.806 -6.770 1.00 0.00 C ATOM 1290 CG PRO A 87 1.588 -18.161 -7.268 1.00 0.00 C ATOM 1291 CD PRO A 87 2.350 -16.867 -7.352 1.00 0.00 C ATOM 0 HA PRO A 87 -0.364 -15.899 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.229 -18.642 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.436 -17.542 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.081 -18.861 -6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.532 -18.645 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.409 -17.010 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.282 -16.424 -8.346 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.500 -16.952 -3.631 1.00 0.00 N ATOM 1300 CA ASN A 88 -0.511 -17.367 -2.233 1.00 0.00 C ATOM 1301 C ASN A 88 0.516 -16.580 -1.424 1.00 0.00 C ATOM 1302 O ASN A 88 1.005 -17.049 -0.396 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.225 -18.866 -2.122 1.00 0.00 C ATOM 1304 CG ASN A 88 -0.866 -19.487 -0.896 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -0.221 -19.655 0.139 1.00 0.00 O ATOM 1306 ND2 ASN A 88 -2.144 -19.833 -1.009 1.00 0.00 N ATOM 0 H ASN A 88 -1.380 -16.556 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.501 -17.162 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.592 -19.370 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.853 -19.026 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.630 -20.257 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.639 -19.675 -1.886 1.00 0.00 H new ATOM 1313 N THR A 89 0.839 -15.380 -1.896 1.00 0.00 N ATOM 1314 CA THR A 89 1.808 -14.528 -1.218 1.00 0.00 C ATOM 1315 C THR A 89 1.274 -13.109 -1.057 1.00 0.00 C ATOM 1316 O THR A 89 0.828 -12.490 -2.022 1.00 0.00 O ATOM 1317 CB THR A 89 3.144 -14.478 -1.982 1.00 0.00 C ATOM 1318 OG1 THR A 89 3.471 -15.779 -2.483 1.00 0.00 O ATOM 1319 CG2 THR A 89 4.264 -13.979 -1.082 1.00 0.00 C ATOM 0 H THR A 89 0.444 -14.976 -2.745 1.00 0.00 H new ATOM 0 HA THR A 89 1.978 -14.964 -0.233 1.00 0.00 H new ATOM 0 HB THR A 89 3.034 -13.785 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.709 -16.367 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.198 -13.952 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.026 -12.977 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.372 -14.650 -0.230 1.00 0.00 H new ATOM 1327 N MET A 90 1.324 -12.598 0.169 1.00 0.00 N ATOM 1328 CA MET A 90 0.847 -11.250 0.455 1.00 0.00 C ATOM 1329 C MET A 90 2.012 -10.269 0.547 1.00 0.00 C ATOM 1330 O MET A 90 3.131 -10.651 0.890 1.00 0.00 O ATOM 1331 CB MET A 90 0.048 -11.235 1.760 1.00 0.00 C ATOM 1332 CG MET A 90 -0.443 -9.852 2.156 1.00 0.00 C ATOM 1333 SD MET A 90 -1.173 -9.820 3.805 1.00 0.00 S ATOM 1334 CE MET A 90 0.152 -10.534 4.775 1.00 0.00 C ATOM 0 H MET A 90 1.690 -13.097 0.980 1.00 0.00 H new ATOM 0 HA MET A 90 0.198 -10.940 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.809 -11.901 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.669 -11.634 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.390 -9.150 2.118 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.181 -9.511 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.081 -10.181 5.804 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.070 -11.621 4.758 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.112 -10.236 4.354 1.00 0.00 H new ATOM 1344 N TYR A 91 1.741 -9.006 0.239 1.00 0.00 N ATOM 1345 CA TYR A 91 2.767 -7.972 0.284 1.00 0.00 C ATOM 1346 C TYR A 91 2.228 -6.697 0.925 1.00 0.00 C ATOM 1347 O TYR A 91 1.041 -6.600 1.237 1.00 0.00 O ATOM 1348 CB TYR A 91 3.279 -7.670 -1.125 1.00 0.00 C ATOM 1349 CG TYR A 91 3.119 -8.825 -2.088 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.715 -10.054 -1.833 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.374 -8.687 -3.252 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.573 -11.112 -2.710 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.225 -9.739 -4.134 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.826 -10.950 -3.859 1.00 0.00 C ATOM 1355 OH TYR A 91 2.681 -12.001 -4.735 1.00 0.00 O ATOM 0 H TYR A 91 0.819 -8.674 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 91 3.593 -8.342 0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.747 -6.804 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.333 -7.398 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.299 -10.184 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.903 -7.740 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.044 -12.060 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.641 -9.614 -5.034 1.00 0.00 H new ATOM 0 HH TYR A 91 1.926 -12.559 -4.454 1.00 0.00 H new ATOM 1365 N GLU A 92 3.109 -5.720 1.118 1.00 0.00 N ATOM 1366 CA GLU A 92 2.722 -4.451 1.723 1.00 0.00 C ATOM 1367 C GLU A 92 2.545 -3.373 0.657 1.00 0.00 C ATOM 1368 O GLU A 92 3.449 -3.117 -0.138 1.00 0.00 O ATOM 1369 CB GLU A 92 3.770 -4.007 2.745 1.00 0.00 C ATOM 1370 CG GLU A 92 3.894 -2.498 2.873 1.00 0.00 C ATOM 1371 CD GLU A 92 4.409 -2.068 4.233 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.644 -1.991 4.403 1.00 0.00 O ATOM 1373 OE2 GLU A 92 3.577 -1.808 5.127 1.00 0.00 O ATOM 0 H GLU A 92 4.095 -5.783 0.864 1.00 0.00 H new ATOM 0 HA GLU A 92 1.769 -4.595 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.516 -4.426 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.738 -4.420 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.566 -2.126 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.920 -2.041 2.696 1.00 0.00 H new ATOM 1380 N PHE A 93 1.374 -2.744 0.648 1.00 0.00 N ATOM 1381 CA PHE A 93 1.078 -1.695 -0.319 1.00 0.00 C ATOM 1382 C PHE A 93 0.956 -0.339 0.369 1.00 0.00 C ATOM 1383 O PHE A 93 0.356 -0.225 1.438 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.216 -2.016 -1.071 1.00 0.00 C ATOM 1385 CG PHE A 93 -0.108 -3.221 -1.962 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.139 -4.498 -1.427 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.023 -3.075 -3.333 1.00 0.00 C ATOM 1388 CE1 PHE A 93 -0.039 -5.609 -2.244 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.122 -4.182 -4.156 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.090 -5.450 -3.610 1.00 0.00 C ATOM 0 H PHE A 93 0.615 -2.943 1.300 1.00 0.00 H new ATOM 0 HA PHE A 93 1.902 -1.649 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.016 -2.179 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.501 -1.153 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.242 -4.628 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.048 -2.085 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.062 -6.600 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.224 -4.055 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.166 -6.316 -4.250 1.00 0.00 H new ATOM 1400 N SER A 94 1.529 0.688 -0.252 1.00 0.00 N ATOM 1401 CA SER A 94 1.489 2.036 0.303 1.00 0.00 C ATOM 1402 C SER A 94 1.611 3.081 -0.802 1.00 0.00 C ATOM 1403 O SER A 94 2.289 2.863 -1.806 1.00 0.00 O ATOM 1404 CB SER A 94 2.611 2.223 1.325 1.00 0.00 C ATOM 1405 OG SER A 94 2.235 3.147 2.332 1.00 0.00 O ATOM 0 H SER A 94 2.026 0.612 -1.139 1.00 0.00 H new ATOM 0 HA SER A 94 0.529 2.170 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.856 1.264 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.511 2.576 0.821 1.00 0.00 H new ATOM 0 HG SER A 94 1.420 2.832 2.777 1.00 0.00 H new ATOM 1411 N VAL A 95 0.950 4.218 -0.608 1.00 0.00 N ATOM 1412 CA VAL A 95 0.985 5.299 -1.586 1.00 0.00 C ATOM 1413 C VAL A 95 1.617 6.554 -0.996 1.00 0.00 C ATOM 1414 O VAL A 95 1.453 6.845 0.189 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.428 5.640 -2.097 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.363 6.714 -3.172 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.121 4.391 -2.620 1.00 0.00 C ATOM 0 H VAL A 95 0.384 4.414 0.217 1.00 0.00 H new ATOM 0 HA VAL A 95 1.591 4.950 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.012 6.030 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.370 6.941 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.090 7.615 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.238 6.356 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.118 4.650 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.540 3.969 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.202 3.657 -1.818 1.00 0.00 H new ATOM 1427 N MET A 96 2.340 7.294 -1.830 1.00 0.00 N ATOM 1428 CA MET A 96 2.996 8.520 -1.390 1.00 0.00 C ATOM 1429 C MET A 96 2.905 9.600 -2.464 1.00 0.00 C ATOM 1430 O MET A 96 2.523 9.328 -3.602 1.00 0.00 O ATOM 1431 CB MET A 96 4.461 8.246 -1.049 1.00 0.00 C ATOM 1432 CG MET A 96 5.252 7.647 -2.201 1.00 0.00 C ATOM 1433 SD MET A 96 5.965 8.903 -3.280 1.00 0.00 S ATOM 1434 CE MET A 96 7.304 9.509 -2.257 1.00 0.00 C ATOM 0 H MET A 96 2.486 7.066 -2.813 1.00 0.00 H new ATOM 0 HA MET A 96 2.484 8.876 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.934 9.178 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.506 7.568 -0.197 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.050 7.021 -1.802 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.600 6.998 -2.786 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.010 10.450 -1.793 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.530 8.777 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 96 8.189 9.669 -2.873 1.00 0.00 H new ATOM 1444 N VAL A 97 3.258 10.827 -2.094 1.00 0.00 N ATOM 1445 CA VAL A 97 3.217 11.948 -3.025 1.00 0.00 C ATOM 1446 C VAL A 97 4.540 12.705 -3.033 1.00 0.00 C ATOM 1447 O VAL A 97 5.164 12.898 -1.989 1.00 0.00 O ATOM 1448 CB VAL A 97 2.080 12.927 -2.676 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.194 13.384 -1.230 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.093 14.118 -3.623 1.00 0.00 C ATOM 0 H VAL A 97 3.576 11.070 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 97 3.035 11.530 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 97 1.128 12.409 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.382 14.075 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.131 12.519 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.150 13.886 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.283 14.799 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.047 14.639 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.958 13.770 -4.647 1.00 0.00 H new ATOM 1460 N THR A 98 4.964 13.133 -4.218 1.00 0.00 N ATOM 1461 CA THR A 98 6.214 13.869 -4.362 1.00 0.00 C ATOM 1462 C THR A 98 5.985 15.212 -5.046 1.00 0.00 C ATOM 1463 O THR A 98 5.935 15.295 -6.273 1.00 0.00 O ATOM 1464 CB THR A 98 7.250 13.064 -5.170 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.576 11.854 -4.479 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.513 13.881 -5.397 1.00 0.00 C ATOM 0 H THR A 98 4.460 12.983 -5.092 1.00 0.00 H new ATOM 0 HA THR A 98 6.600 14.037 -3.357 1.00 0.00 H new ATOM 0 HB THR A 98 6.814 12.822 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.766 11.315 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.229 13.292 -5.969 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.265 14.788 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.950 14.150 -4.435 1.00 0.00 H new ATOM 1474 N LYS A 99 5.848 16.263 -4.245 1.00 0.00 N ATOM 1475 CA LYS A 99 5.627 17.604 -4.772 1.00 0.00 C ATOM 1476 C LYS A 99 6.664 18.581 -4.227 1.00 0.00 C ATOM 1477 O LYS A 99 7.318 18.310 -3.221 1.00 0.00 O ATOM 1478 CB LYS A 99 4.219 18.088 -4.417 1.00 0.00 C ATOM 1479 CG LYS A 99 3.870 19.438 -5.020 1.00 0.00 C ATOM 1480 CD LYS A 99 2.366 19.629 -5.125 1.00 0.00 C ATOM 1481 CE LYS A 99 1.800 20.286 -3.875 1.00 0.00 C ATOM 1482 NZ LYS A 99 2.360 21.650 -3.663 1.00 0.00 N ATOM 0 H LYS A 99 5.886 16.212 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 99 5.728 17.562 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.493 17.349 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.128 18.149 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.297 20.232 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.319 19.522 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.136 20.243 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.885 18.663 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.715 20.348 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.019 19.664 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.724 22.194 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.296 21.575 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.452 22.134 -4.579 1.00 0.00 H new ATOM 1496 N ASN A 100 6.809 19.719 -4.898 1.00 0.00 N ATOM 1497 CA ASN A 100 7.766 20.737 -4.480 1.00 0.00 C ATOM 1498 C ASN A 100 9.195 20.211 -4.575 1.00 0.00 C ATOM 1499 O ASN A 100 10.064 20.599 -3.793 1.00 0.00 O ATOM 1500 CB ASN A 100 7.471 21.187 -3.048 1.00 0.00 C ATOM 1501 CG ASN A 100 6.492 22.345 -2.997 1.00 0.00 C ATOM 1502 OD1 ASN A 100 5.292 22.149 -2.809 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.003 23.559 -3.164 1.00 0.00 N ATOM 0 H ASN A 100 6.276 19.959 -5.734 1.00 0.00 H new ATOM 0 HA ASN A 100 7.666 21.591 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.067 20.348 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.402 21.480 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.394 24.377 -3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.005 23.674 -3.317 1.00 0.00 H new ATOM 1510 N ARG A 101 9.432 19.326 -5.539 1.00 0.00 N ATOM 1511 CA ARG A 101 10.755 18.747 -5.736 1.00 0.00 C ATOM 1512 C ARG A 101 11.186 17.945 -4.511 1.00 0.00 C ATOM 1513 O ARG A 101 12.372 17.875 -4.188 1.00 0.00 O ATOM 1514 CB ARG A 101 11.779 19.846 -6.025 1.00 0.00 C ATOM 1515 CG ARG A 101 11.759 20.333 -7.465 1.00 0.00 C ATOM 1516 CD ARG A 101 11.755 19.171 -8.446 1.00 0.00 C ATOM 1517 NE ARG A 101 12.194 19.579 -9.778 1.00 0.00 N ATOM 1518 CZ ARG A 101 12.158 18.781 -10.840 1.00 0.00 C ATOM 1519 NH1 ARG A 101 11.705 17.540 -10.725 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.574 19.224 -12.019 1.00 0.00 N ATOM 0 H ARG A 101 8.725 18.995 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 101 10.705 18.073 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.590 20.690 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.776 19.473 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.877 20.952 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.629 20.963 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.408 18.381 -8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.751 18.752 -8.508 1.00 0.00 H new ATOM 0 HE ARG A 101 12.547 20.528 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.383 17.196 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.678 16.929 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.922 20.178 -12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.546 18.610 -12.833 1.00 0.00 H new ATOM 1534 N ARG A 102 10.214 17.344 -3.832 1.00 0.00 N ATOM 1535 CA ARG A 102 10.492 16.550 -2.641 1.00 0.00 C ATOM 1536 C ARG A 102 9.456 15.443 -2.472 1.00 0.00 C ATOM 1537 O ARG A 102 8.312 15.578 -2.905 1.00 0.00 O ATOM 1538 CB ARG A 102 10.508 17.442 -1.399 1.00 0.00 C ATOM 1539 CG ARG A 102 9.123 17.777 -0.872 1.00 0.00 C ATOM 1540 CD ARG A 102 9.183 18.320 0.548 1.00 0.00 C ATOM 1541 NE ARG A 102 9.319 19.774 0.572 1.00 0.00 N ATOM 1542 CZ ARG A 102 9.284 20.496 1.686 1.00 0.00 C ATOM 1543 NH1 ARG A 102 9.120 19.903 2.860 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.415 21.815 1.627 1.00 0.00 N ATOM 0 H ARG A 102 9.227 17.392 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 102 11.473 16.091 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.076 16.945 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.032 18.368 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.652 18.513 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.498 16.884 -0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.279 18.031 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.024 17.868 1.074 1.00 0.00 H new ATOM 0 HE ARG A 102 9.448 20.261 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.020 18.889 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.094 20.461 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.543 22.275 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.388 22.369 2.483 1.00 0.00 H new ATOM 1558 N SER A 103 9.865 14.347 -1.840 1.00 0.00 N ATOM 1559 CA SER A 103 8.974 13.215 -1.618 1.00 0.00 C ATOM 1560 C SER A 103 8.448 13.211 -0.186 1.00 0.00 C ATOM 1561 O SER A 103 9.165 13.562 0.752 1.00 0.00 O ATOM 1562 CB SER A 103 9.702 11.901 -1.909 1.00 0.00 C ATOM 1563 OG SER A 103 10.983 11.883 -1.305 1.00 0.00 O ATOM 0 H SER A 103 10.808 14.220 -1.473 1.00 0.00 H new ATOM 0 HA SER A 103 8.128 13.312 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.110 11.064 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.803 11.768 -2.986 1.00 0.00 H new ATOM 0 HG SER A 103 11.427 11.032 -1.504 1.00 0.00 H new ATOM 1569 N SER A 104 7.191 12.812 -0.025 1.00 0.00 N ATOM 1570 CA SER A 104 6.566 12.765 1.292 1.00 0.00 C ATOM 1571 C SER A 104 6.621 11.354 1.870 1.00 0.00 C ATOM 1572 O SER A 104 7.227 10.454 1.287 1.00 0.00 O ATOM 1573 CB SER A 104 5.113 13.237 1.207 1.00 0.00 C ATOM 1574 OG SER A 104 4.303 12.278 0.550 1.00 0.00 O ATOM 0 H SER A 104 6.585 12.516 -0.790 1.00 0.00 H new ATOM 0 HA SER A 104 7.119 13.431 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.727 13.418 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.066 14.185 0.672 1.00 0.00 H new ATOM 0 HG SER A 104 4.491 12.294 -0.412 1.00 0.00 H new ATOM 1580 N THR A 105 5.984 11.168 3.022 1.00 0.00 N ATOM 1581 CA THR A 105 5.961 9.868 3.681 1.00 0.00 C ATOM 1582 C THR A 105 4.845 8.990 3.126 1.00 0.00 C ATOM 1583 O THR A 105 3.886 9.488 2.537 1.00 0.00 O ATOM 1584 CB THR A 105 5.774 10.014 5.203 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.064 8.771 5.853 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.355 10.447 5.536 1.00 0.00 C ATOM 0 H THR A 105 5.477 11.901 3.518 1.00 0.00 H new ATOM 0 HA THR A 105 6.923 9.396 3.483 1.00 0.00 H new ATOM 0 HB THR A 105 6.463 10.780 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.945 8.872 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.248 10.543 6.616 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.147 11.407 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.651 9.701 5.167 1.00 0.00 H new ATOM 1594 N TRP A 106 4.977 7.683 3.318 1.00 0.00 N ATOM 1595 CA TRP A 106 3.979 6.735 2.836 1.00 0.00 C ATOM 1596 C TRP A 106 2.801 6.648 3.800 1.00 0.00 C ATOM 1597 O TRP A 106 2.983 6.638 5.017 1.00 0.00 O ATOM 1598 CB TRP A 106 4.606 5.352 2.651 1.00 0.00 C ATOM 1599 CG TRP A 106 5.811 5.360 1.759 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.094 5.659 2.118 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.843 5.059 0.360 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.923 5.561 1.026 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.180 5.193 -0.064 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.874 4.686 -0.575 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.568 4.969 -1.382 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.261 4.464 -1.883 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.599 4.605 -2.277 1.00 0.00 C ATOM 0 H TRP A 106 5.765 7.255 3.804 1.00 0.00 H new ATOM 0 HA TRP A 106 3.611 7.091 1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.888 4.955 3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.860 4.675 2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.411 5.932 3.114 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.928 5.734 1.027 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.841 4.573 -0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.598 5.079 -1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.520 4.177 -2.614 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.870 4.423 -3.306 1.00 0.00 H new ATOM 1618 N SER A 107 1.594 6.584 3.248 1.00 0.00 N ATOM 1619 CA SER A 107 0.385 6.501 4.060 1.00 0.00 C ATOM 1620 C SER A 107 0.162 5.076 4.558 1.00 0.00 C ATOM 1621 O SER A 107 0.917 4.164 4.222 1.00 0.00 O ATOM 1622 CB SER A 107 -0.829 6.968 3.255 1.00 0.00 C ATOM 1623 OG SER A 107 -2.029 6.774 3.983 1.00 0.00 O ATOM 0 H SER A 107 1.427 6.588 2.242 1.00 0.00 H new ATOM 0 HA SER A 107 0.512 7.154 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.719 8.023 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.878 6.420 2.314 1.00 0.00 H new ATOM 0 HG SER A 107 -2.457 7.641 4.145 1.00 0.00 H new ATOM 1629 N MET A 108 -0.880 4.894 5.362 1.00 0.00 N ATOM 1630 CA MET A 108 -1.204 3.580 5.906 1.00 0.00 C ATOM 1631 C MET A 108 -1.043 2.497 4.844 1.00 0.00 C ATOM 1632 O MET A 108 -1.288 2.732 3.660 1.00 0.00 O ATOM 1633 CB MET A 108 -2.634 3.568 6.451 1.00 0.00 C ATOM 1634 CG MET A 108 -3.665 4.085 5.461 1.00 0.00 C ATOM 1635 SD MET A 108 -5.358 3.736 5.975 1.00 0.00 S ATOM 1636 CE MET A 108 -5.444 1.971 5.680 1.00 0.00 C ATOM 0 H MET A 108 -1.514 5.639 5.651 1.00 0.00 H new ATOM 0 HA MET A 108 -0.511 3.371 6.721 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.896 2.550 6.738 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.675 4.175 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.540 5.161 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.485 3.633 4.486 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.488 1.659 5.639 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.957 1.736 4.733 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.939 1.442 6.488 1.00 0.00 H new ATOM 1646 N THR A 109 -0.631 1.309 5.275 1.00 0.00 N ATOM 1647 CA THR A 109 -0.436 0.190 4.361 1.00 0.00 C ATOM 1648 C THR A 109 -1.649 -0.732 4.354 1.00 0.00 C ATOM 1649 O THR A 109 -2.326 -0.891 5.370 1.00 0.00 O ATOM 1650 CB THR A 109 0.815 -0.628 4.733 1.00 0.00 C ATOM 1651 OG1 THR A 109 1.997 0.075 4.335 1.00 0.00 O ATOM 1652 CG2 THR A 109 0.784 -1.996 4.069 1.00 0.00 C ATOM 0 H THR A 109 -0.426 1.097 6.251 1.00 0.00 H new ATOM 0 HA THR A 109 -0.300 0.615 3.366 1.00 0.00 H new ATOM 0 HB THR A 109 0.823 -0.767 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.771 -0.290 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.677 -2.555 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.101 -2.540 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.754 -1.874 2.986 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.919 -1.340 3.204 1.00 0.00 N ATOM 1661 CA ALA A 110 -3.050 -2.249 3.066 1.00 0.00 C ATOM 1662 C ALA A 110 -2.580 -3.665 2.751 1.00 0.00 C ATOM 1663 O ALA A 110 -1.882 -3.893 1.763 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.998 -1.752 1.985 1.00 0.00 C ATOM 0 H ALA A 110 -1.369 -1.219 2.353 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.583 -2.274 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.838 -2.441 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.368 -0.762 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.468 -1.697 1.034 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.968 -4.614 3.597 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.586 -6.009 3.408 1.00 0.00 C ATOM 1672 C HIS A 111 -3.610 -6.741 2.546 1.00 0.00 C ATOM 1673 O HIS A 111 -4.817 -6.596 2.741 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.447 -6.710 4.760 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.128 -6.469 5.427 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.035 -6.224 4.728 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.792 -6.434 6.738 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.030 -6.051 5.579 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.555 -6.174 6.806 1.00 0.00 N ATOM 0 H HIS A 111 -3.546 -4.443 4.420 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.624 -6.030 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.246 -6.371 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.583 -7.782 4.620 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.459 -6.583 7.574 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.057 -5.844 5.317 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.100 -6.090 7.664 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.121 -7.526 1.592 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.993 -8.280 0.701 1.00 0.00 C ATOM 1690 C ALA A 112 -3.250 -9.452 0.068 1.00 0.00 C ATOM 1691 O ALA A 112 -2.397 -9.265 -0.800 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.562 -7.370 -0.377 1.00 0.00 C ATOM 0 H ALA A 112 -2.125 -7.656 1.416 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.815 -8.681 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.211 -7.947 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.137 -6.569 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.746 -6.940 -0.958 1.00 0.00 H new ATOM 1698 N THR A 113 -3.579 -10.663 0.508 1.00 0.00 N ATOM 1699 CA THR A 113 -2.942 -11.865 -0.013 1.00 0.00 C ATOM 1700 C THR A 113 -3.542 -12.267 -1.356 1.00 0.00 C ATOM 1701 O THR A 113 -4.742 -12.110 -1.584 1.00 0.00 O ATOM 1702 CB THR A 113 -3.076 -13.044 0.969 1.00 0.00 C ATOM 1703 OG1 THR A 113 -2.838 -12.595 2.308 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.097 -14.154 0.620 1.00 0.00 C ATOM 0 H THR A 113 -4.284 -10.836 1.225 1.00 0.00 H new ATOM 0 HA THR A 113 -1.886 -11.630 -0.145 1.00 0.00 H new ATOM 0 HB THR A 113 -4.089 -13.438 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.926 -13.350 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.211 -14.975 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.299 -14.514 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.078 -13.770 0.671 1.00 0.00 H new ATOM 1712 N THR A 114 -2.700 -12.788 -2.243 1.00 0.00 N ATOM 1713 CA THR A 114 -3.147 -13.212 -3.564 1.00 0.00 C ATOM 1714 C THR A 114 -3.755 -14.609 -3.516 1.00 0.00 C ATOM 1715 O THR A 114 -3.331 -15.454 -2.728 1.00 0.00 O ATOM 1716 CB THR A 114 -1.989 -13.203 -4.579 1.00 0.00 C ATOM 1717 OG1 THR A 114 -0.912 -14.017 -4.101 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.492 -11.786 -4.820 1.00 0.00 C ATOM 0 H THR A 114 -1.704 -12.926 -2.070 1.00 0.00 H new ATOM 0 HA THR A 114 -3.906 -12.499 -3.885 1.00 0.00 H new ATOM 0 HB THR A 114 -2.358 -13.607 -5.522 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.152 -13.947 -4.715 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.674 -11.805 -5.540 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.306 -11.176 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.139 -11.360 -3.881 1.00 0.00 H new ATOM 1726 N TYR A 115 -4.750 -14.845 -4.364 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.418 -16.141 -4.417 1.00 0.00 C ATOM 1728 C TYR A 115 -4.448 -17.236 -4.848 1.00 0.00 C ATOM 1729 O TYR A 115 -3.483 -16.978 -5.566 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.605 -16.087 -5.380 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.583 -14.975 -5.075 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.526 -15.110 -4.064 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.562 -13.788 -5.797 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.422 -14.097 -3.782 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.453 -12.769 -5.521 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.381 -12.928 -4.513 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.271 -11.916 -4.235 1.00 0.00 O ATOM 0 H TYR A 115 -5.112 -14.157 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.781 -16.376 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.232 -15.962 -6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.131 -17.041 -5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.559 -16.023 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.837 -13.660 -6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.150 -14.220 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.423 -11.853 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.958 -11.083 -4.646 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.713 -18.461 -4.403 1.00 0.00 N ATOM 1748 CA GLU A 116 -3.864 -19.597 -4.743 1.00 0.00 C ATOM 1749 C GLU A 116 -3.954 -19.918 -6.232 1.00 0.00 C ATOM 1750 O GLU A 116 -5.011 -20.300 -6.732 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.262 -20.824 -3.920 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.110 -21.778 -3.653 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.518 -22.960 -2.795 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.721 -23.296 -2.781 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -2.634 -23.548 -2.138 1.00 0.00 O ATOM 0 H GLU A 116 -5.508 -18.692 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.833 -19.330 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.677 -20.493 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.053 -21.361 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.717 -22.142 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.302 -21.237 -3.160 1.00 0.00 H new ATOM 1762 N ALA A 117 -2.837 -19.759 -6.934 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.788 -20.033 -8.365 1.00 0.00 C ATOM 1764 C ALA A 117 -3.435 -21.375 -8.689 1.00 0.00 C ATOM 1765 O ALA A 117 -4.281 -21.469 -9.578 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.350 -20.004 -8.859 1.00 0.00 C ATOM 0 H ALA A 117 -1.954 -19.442 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.352 -19.254 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.329 -20.210 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.920 -19.020 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.769 -20.761 -8.332 1.00 0.00 H new