USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 88 SER OG : rot 150:sc= -0.0283 USER MOD Set 1.2: A 90 MET CE :methyl -167:sc= -0.083 (180deg=-0.681) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -137:sc= 0.595 (180deg=-0.0227) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 120:sc= -1.61 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.0873 (180deg=-0.611) USER MOD Single : A 48 CYS SG : rot -85:sc= 0.248 USER MOD Single : A 49 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-9.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.2 F(o=-2.7!,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.827 (180deg=-1.7!) USER MOD Single : A 74 THR OG1 : rot -65:sc= 0.169 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.888 F(o=-1.8,f=-0.89) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 38:sc= 0.264 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 158:sc= -0.1 (180deg=-0.906) USER MOD Single : A 95 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.826 3.491 -8.413 1.00 0.00 N ATOM 270 CA ASP A 21 -5.993 2.882 -7.785 1.00 0.00 C ATOM 271 C ASP A 21 -5.573 1.837 -6.756 1.00 0.00 C ATOM 272 O ASP A 21 -4.711 0.998 -7.024 1.00 0.00 O ATOM 273 CB ASP A 21 -6.891 2.241 -8.844 1.00 0.00 C ATOM 274 CG ASP A 21 -8.331 2.120 -8.385 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.861 3.104 -7.828 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.929 1.042 -8.584 1.00 0.00 O ATOM 0 HA ASP A 21 -6.551 3.666 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.852 2.835 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.507 1.251 -9.091 1.00 0.00 H new ATOM 281 N TYR A 22 -6.186 1.893 -5.579 1.00 0.00 N ATOM 282 CA TYR A 22 -5.873 0.954 -4.509 1.00 0.00 C ATOM 283 C TYR A 22 -5.965 -0.486 -5.004 1.00 0.00 C ATOM 284 O TYR A 22 -5.287 -1.376 -4.488 1.00 0.00 O ATOM 285 CB TYR A 22 -6.822 1.160 -3.327 1.00 0.00 C ATOM 286 CG TYR A 22 -6.412 2.290 -2.411 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.008 3.516 -2.924 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.428 2.132 -1.030 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.631 4.551 -2.090 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.055 3.162 -0.189 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.656 4.369 -0.723 1.00 0.00 C ATOM 292 OH TYR A 22 -5.283 5.398 0.111 1.00 0.00 O ATOM 0 H TYR A 22 -6.903 2.579 -5.342 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.850 1.143 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.824 1.357 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.876 0.237 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.988 3.663 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.737 1.187 -0.607 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.318 5.497 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.076 3.023 0.882 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.358 5.107 1.044 1.00 0.00 H new ATOM 302 N TYR A 23 -6.807 -0.708 -6.007 1.00 0.00 N ATOM 303 CA TYR A 23 -6.989 -2.039 -6.572 1.00 0.00 C ATOM 304 C TYR A 23 -5.833 -2.401 -7.499 1.00 0.00 C ATOM 305 O TYR A 23 -5.485 -3.573 -7.650 1.00 0.00 O ATOM 306 CB TYR A 23 -8.313 -2.115 -7.335 1.00 0.00 C ATOM 307 CG TYR A 23 -9.515 -2.324 -6.442 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.813 -3.580 -5.928 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.354 -1.266 -6.114 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.911 -3.776 -5.113 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.453 -1.453 -5.298 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.728 -2.709 -4.800 1.00 0.00 C ATOM 313 OH TYR A 23 -12.822 -2.900 -3.988 1.00 0.00 O ATOM 0 H TYR A 23 -7.374 0.017 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.009 -2.755 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.449 -1.195 -7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.261 -2.930 -8.056 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.175 -4.417 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.143 -0.281 -6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.129 -4.759 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.094 -0.619 -5.051 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.291 -2.048 -3.865 1.00 0.00 H new ATOM 323 N THR A 24 -5.241 -1.385 -8.120 1.00 0.00 N ATOM 324 CA THR A 24 -4.124 -1.594 -9.033 1.00 0.00 C ATOM 325 C THR A 24 -2.841 -1.903 -8.270 1.00 0.00 C ATOM 326 O THR A 24 -2.034 -2.728 -8.701 1.00 0.00 O ATOM 327 CB THR A 24 -3.893 -0.362 -9.928 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.023 -0.160 -10.784 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.637 -0.533 -10.769 1.00 0.00 C ATOM 0 H THR A 24 -5.517 -0.409 -8.007 1.00 0.00 H new ATOM 0 HA THR A 24 -4.383 -2.446 -9.661 1.00 0.00 H new ATOM 0 HB THR A 24 -3.765 0.509 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.869 0.626 -11.349 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.494 0.349 -11.393 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.775 -0.658 -10.114 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.741 -1.413 -11.403 1.00 0.00 H new ATOM 337 N LEU A 25 -2.657 -1.236 -7.136 1.00 0.00 N ATOM 338 CA LEU A 25 -1.470 -1.440 -6.312 1.00 0.00 C ATOM 339 C LEU A 25 -1.240 -2.924 -6.047 1.00 0.00 C ATOM 340 O LEU A 25 -0.114 -3.415 -6.144 1.00 0.00 O ATOM 341 CB LEU A 25 -1.611 -0.689 -4.987 1.00 0.00 C ATOM 342 CG LEU A 25 -2.015 0.782 -5.088 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.265 1.363 -3.705 1.00 0.00 C ATOM 344 CD2 LEU A 25 -0.944 1.580 -5.818 1.00 0.00 C ATOM 0 H LEU A 25 -3.314 -0.549 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.609 -1.049 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.350 -1.207 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.661 -0.748 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.941 0.846 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.551 2.411 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.067 0.809 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.356 1.286 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.248 2.625 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.002 1.508 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.813 1.179 -6.823 1.00 0.00 H new ATOM 356 N LEU A 26 -2.312 -3.634 -5.715 1.00 0.00 N ATOM 357 CA LEU A 26 -2.227 -5.064 -5.438 1.00 0.00 C ATOM 358 C LEU A 26 -2.616 -5.880 -6.667 1.00 0.00 C ATOM 359 O LEU A 26 -2.588 -7.110 -6.642 1.00 0.00 O ATOM 360 CB LEU A 26 -3.133 -5.430 -4.261 1.00 0.00 C ATOM 361 CG LEU A 26 -2.985 -4.568 -3.007 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.904 -5.069 -1.903 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.539 -4.557 -2.535 1.00 0.00 C ATOM 0 H LEU A 26 -3.250 -3.243 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.194 -5.299 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.169 -5.375 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.940 -6.468 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.273 -3.547 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.785 -4.443 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.939 -5.024 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.648 -6.099 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.453 -3.939 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.224 -5.575 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.903 -4.150 -3.321 1.00 0.00 H new ATOM 375 N GLY A 27 -2.976 -5.186 -7.742 1.00 0.00 N ATOM 376 CA GLY A 27 -3.362 -5.863 -8.966 1.00 0.00 C ATOM 377 C GLY A 27 -4.501 -6.840 -8.754 1.00 0.00 C ATOM 378 O GLY A 27 -4.512 -7.927 -9.334 1.00 0.00 O ATOM 0 H GLY A 27 -3.007 -4.167 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.656 -5.123 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.501 -6.396 -9.370 1.00 0.00 H new ATOM 382 N CYS A 28 -5.461 -6.455 -7.920 1.00 0.00 N ATOM 383 CA CYS A 28 -6.609 -7.307 -7.630 1.00 0.00 C ATOM 384 C CYS A 28 -7.908 -6.631 -8.053 1.00 0.00 C ATOM 385 O CYS A 28 -7.897 -5.523 -8.590 1.00 0.00 O ATOM 386 CB CYS A 28 -6.657 -7.643 -6.138 1.00 0.00 C ATOM 387 SG CYS A 28 -7.211 -6.277 -5.091 1.00 0.00 S ATOM 0 H CYS A 28 -5.467 -5.559 -7.433 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.499 -8.230 -8.200 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.322 -8.494 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.664 -7.955 -5.815 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.287 -6.629 -4.451 1.00 0.00 H new ATOM 393 N ASP A 29 -9.027 -7.305 -7.809 1.00 0.00 N ATOM 394 CA ASP A 29 -10.335 -6.769 -8.166 1.00 0.00 C ATOM 395 C ASP A 29 -11.404 -7.250 -7.189 1.00 0.00 C ATOM 396 O ASP A 29 -11.208 -8.233 -6.476 1.00 0.00 O ATOM 397 CB ASP A 29 -10.707 -7.181 -9.591 1.00 0.00 C ATOM 398 CG ASP A 29 -9.871 -6.470 -10.636 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.858 -5.221 -10.636 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.229 -7.162 -11.455 1.00 0.00 O ATOM 0 H ASP A 29 -9.054 -8.223 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.282 -5.682 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.580 -8.258 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.761 -6.965 -9.765 1.00 0.00 H new ATOM 405 N GLU A 30 -12.533 -6.548 -7.162 1.00 0.00 N ATOM 406 CA GLU A 30 -13.631 -6.904 -6.271 1.00 0.00 C ATOM 407 C GLU A 30 -13.851 -8.414 -6.253 1.00 0.00 C ATOM 408 O GLU A 30 -14.098 -9.004 -5.201 1.00 0.00 O ATOM 409 CB GLU A 30 -14.917 -6.195 -6.703 1.00 0.00 C ATOM 410 CG GLU A 30 -15.277 -6.424 -8.161 1.00 0.00 C ATOM 411 CD GLU A 30 -16.151 -5.320 -8.726 1.00 0.00 C ATOM 412 OE1 GLU A 30 -15.605 -4.256 -9.086 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.381 -5.521 -8.807 1.00 0.00 O ATOM 0 H GLU A 30 -12.711 -5.731 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.367 -6.582 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.740 -6.539 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.808 -5.125 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.363 -6.496 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.795 -7.378 -8.258 1.00 0.00 H new ATOM 420 N LEU A 31 -13.759 -9.033 -7.425 1.00 0.00 N ATOM 421 CA LEU A 31 -13.947 -10.474 -7.545 1.00 0.00 C ATOM 422 C LEU A 31 -12.935 -11.229 -6.690 1.00 0.00 C ATOM 423 O LEU A 31 -13.269 -12.225 -6.048 1.00 0.00 O ATOM 424 CB LEU A 31 -13.819 -10.905 -9.007 1.00 0.00 C ATOM 425 CG LEU A 31 -15.070 -10.732 -9.870 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.726 -10.874 -11.344 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.137 -11.741 -9.470 1.00 0.00 C ATOM 0 H LEU A 31 -13.555 -8.559 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.948 -10.715 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.007 -10.338 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.528 -11.955 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.466 -9.730 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.629 -10.748 -11.942 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.997 -10.113 -11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.306 -11.863 -11.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.020 -11.604 -10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.751 -12.751 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.405 -11.592 -8.424 1.00 0.00 H new ATOM 439 N SER A 32 -11.696 -10.747 -6.685 1.00 0.00 N ATOM 440 CA SER A 32 -10.634 -11.378 -5.910 1.00 0.00 C ATOM 441 C SER A 32 -10.930 -11.295 -4.415 1.00 0.00 C ATOM 442 O SER A 32 -11.626 -10.389 -3.958 1.00 0.00 O ATOM 443 CB SER A 32 -9.290 -10.713 -6.213 1.00 0.00 C ATOM 444 OG SER A 32 -8.824 -11.068 -7.503 1.00 0.00 O ATOM 0 H SER A 32 -11.403 -9.922 -7.209 1.00 0.00 H new ATOM 0 HA SER A 32 -10.584 -12.429 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.393 -9.630 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.557 -11.010 -5.464 1.00 0.00 H new ATOM 0 HG SER A 32 -7.965 -10.629 -7.673 1.00 0.00 H new ATOM 450 N SER A 33 -10.394 -12.248 -3.659 1.00 0.00 N ATOM 451 CA SER A 33 -10.603 -12.287 -2.216 1.00 0.00 C ATOM 452 C SER A 33 -9.305 -11.994 -1.471 1.00 0.00 C ATOM 453 O SER A 33 -8.216 -12.079 -2.040 1.00 0.00 O ATOM 454 CB SER A 33 -11.149 -13.653 -1.795 1.00 0.00 C ATOM 455 OG SER A 33 -12.521 -13.779 -2.126 1.00 0.00 O ATOM 0 H SER A 33 -9.812 -13.003 -4.021 1.00 0.00 H new ATOM 0 HA SER A 33 -11.331 -11.518 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.580 -14.442 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.017 -13.785 -0.721 1.00 0.00 H new ATOM 0 HG SER A 33 -12.845 -14.661 -1.848 1.00 0.00 H new ATOM 461 N VAL A 34 -9.428 -11.647 -0.194 1.00 0.00 N ATOM 462 CA VAL A 34 -8.265 -11.342 0.631 1.00 0.00 C ATOM 463 C VAL A 34 -7.152 -12.360 0.410 1.00 0.00 C ATOM 464 O VAL A 34 -5.982 -11.998 0.293 1.00 0.00 O ATOM 465 CB VAL A 34 -8.630 -11.314 2.127 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.349 -12.593 2.526 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.384 -11.106 2.975 1.00 0.00 C ATOM 0 H VAL A 34 -10.322 -11.570 0.292 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.915 -10.354 0.331 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.306 -10.477 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.599 -12.554 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.263 -12.694 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.701 -13.449 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.660 -11.089 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.682 -11.921 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.915 -10.159 2.707 1.00 0.00 H new ATOM 477 N GLU A 35 -7.525 -13.635 0.354 1.00 0.00 N ATOM 478 CA GLU A 35 -6.557 -14.705 0.147 1.00 0.00 C ATOM 479 C GLU A 35 -5.632 -14.384 -1.023 1.00 0.00 C ATOM 480 O GLU A 35 -4.410 -14.374 -0.876 1.00 0.00 O ATOM 481 CB GLU A 35 -7.277 -16.032 -0.107 1.00 0.00 C ATOM 482 CG GLU A 35 -8.092 -16.519 1.079 1.00 0.00 C ATOM 483 CD GLU A 35 -7.264 -16.645 2.343 1.00 0.00 C ATOM 484 OE1 GLU A 35 -6.289 -17.425 2.337 1.00 0.00 O ATOM 485 OE2 GLU A 35 -7.591 -15.965 3.338 1.00 0.00 O ATOM 0 H GLU A 35 -8.490 -13.951 0.449 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.954 -14.794 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.936 -15.919 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.540 -16.792 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.917 -15.829 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.533 -17.487 0.840 1.00 0.00 H new ATOM 492 N GLN A 36 -6.225 -14.122 -2.184 1.00 0.00 N ATOM 493 CA GLN A 36 -5.454 -13.802 -3.379 1.00 0.00 C ATOM 494 C GLN A 36 -4.809 -12.425 -3.258 1.00 0.00 C ATOM 495 O GLN A 36 -3.603 -12.274 -3.457 1.00 0.00 O ATOM 496 CB GLN A 36 -6.350 -13.851 -4.618 1.00 0.00 C ATOM 497 CG GLN A 36 -5.659 -13.380 -5.888 1.00 0.00 C ATOM 498 CD GLN A 36 -4.740 -14.432 -6.477 1.00 0.00 C ATOM 499 OE1 GLN A 36 -3.741 -14.813 -5.866 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.074 -14.909 -7.671 1.00 0.00 N ATOM 0 H GLN A 36 -7.236 -14.125 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.664 -14.546 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.700 -14.873 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.231 -13.234 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.412 -13.106 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.083 -12.480 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.911 -14.565 -8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.494 -15.619 -8.117 1.00 0.00 H new ATOM 509 N ILE A 37 -5.620 -11.424 -2.932 1.00 0.00 N ATOM 510 CA ILE A 37 -5.128 -10.060 -2.784 1.00 0.00 C ATOM 511 C ILE A 37 -3.799 -10.033 -2.037 1.00 0.00 C ATOM 512 O ILE A 37 -2.858 -9.351 -2.445 1.00 0.00 O ATOM 513 CB ILE A 37 -6.142 -9.173 -2.037 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.473 -9.137 -2.791 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.588 -7.768 -1.861 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.659 -8.815 -1.909 1.00 0.00 C ATOM 0 H ILE A 37 -6.620 -11.532 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.985 -9.666 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.317 -9.599 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.410 -8.395 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.637 -10.103 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.316 -7.153 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.663 -7.811 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.387 -7.331 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.568 -8.807 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.748 -9.570 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.517 -7.836 -1.452 1.00 0.00 H new ATOM 528 N LEU A 38 -3.728 -10.780 -0.941 1.00 0.00 N ATOM 529 CA LEU A 38 -2.513 -10.844 -0.136 1.00 0.00 C ATOM 530 C LEU A 38 -1.338 -11.358 -0.963 1.00 0.00 C ATOM 531 O LEU A 38 -0.281 -10.730 -1.014 1.00 0.00 O ATOM 532 CB LEU A 38 -2.729 -11.748 1.079 1.00 0.00 C ATOM 533 CG LEU A 38 -3.589 -11.167 2.202 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.027 -12.264 3.161 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.831 -10.077 2.946 1.00 0.00 C ATOM 0 H LEU A 38 -4.497 -11.350 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.280 -9.835 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.189 -12.676 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.754 -12.007 1.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.480 -10.723 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.638 -11.832 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.609 -13.010 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.148 -12.738 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.459 -9.675 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.922 -10.496 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.569 -9.278 2.252 1.00 0.00 H new ATOM 547 N ALA A 39 -1.533 -12.502 -1.610 1.00 0.00 N ATOM 548 CA ALA A 39 -0.492 -13.098 -2.439 1.00 0.00 C ATOM 549 C ALA A 39 0.148 -12.056 -3.350 1.00 0.00 C ATOM 550 O ALA A 39 1.351 -11.810 -3.278 1.00 0.00 O ATOM 551 CB ALA A 39 -1.063 -14.243 -3.262 1.00 0.00 C ATOM 0 H ALA A 39 -2.402 -13.035 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 39 0.282 -13.491 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.275 -14.678 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.466 -15.005 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.858 -13.867 -3.906 1.00 0.00 H new ATOM 557 N GLU A 40 -0.666 -11.447 -4.207 1.00 0.00 N ATOM 558 CA GLU A 40 -0.177 -10.432 -5.134 1.00 0.00 C ATOM 559 C GLU A 40 0.471 -9.275 -4.381 1.00 0.00 C ATOM 560 O GLU A 40 1.422 -8.660 -4.865 1.00 0.00 O ATOM 561 CB GLU A 40 -1.323 -9.911 -6.004 1.00 0.00 C ATOM 562 CG GLU A 40 -2.075 -11.007 -6.741 1.00 0.00 C ATOM 563 CD GLU A 40 -1.368 -11.451 -8.007 1.00 0.00 C ATOM 564 OE1 GLU A 40 -0.649 -10.624 -8.606 1.00 0.00 O ATOM 565 OE2 GLU A 40 -1.534 -12.625 -8.397 1.00 0.00 O ATOM 0 H GLU A 40 -1.665 -11.638 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 40 0.576 -10.893 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.023 -9.361 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.923 -9.204 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.200 -11.864 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.074 -10.651 -6.993 1.00 0.00 H new ATOM 572 N PHE A 41 -0.050 -8.983 -3.194 1.00 0.00 N ATOM 573 CA PHE A 41 0.477 -7.898 -2.374 1.00 0.00 C ATOM 574 C PHE A 41 1.898 -8.205 -1.913 1.00 0.00 C ATOM 575 O PHE A 41 2.755 -7.322 -1.872 1.00 0.00 O ATOM 576 CB PHE A 41 -0.425 -7.664 -1.160 1.00 0.00 C ATOM 577 CG PHE A 41 0.298 -7.085 0.022 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.677 -5.752 0.035 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.601 -7.874 1.120 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.342 -5.216 1.121 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.266 -7.343 2.209 1.00 0.00 C ATOM 582 CZ PHE A 41 1.638 -6.013 2.209 1.00 0.00 C ATOM 0 H PHE A 41 -0.836 -9.482 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 41 0.499 -6.994 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.236 -6.993 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.881 -8.610 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.450 -5.125 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.314 -8.915 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.630 -4.175 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.495 -7.968 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.159 -5.597 3.058 1.00 0.00 H new ATOM 592 N LYS A 42 2.143 -9.465 -1.567 1.00 0.00 N ATOM 593 CA LYS A 42 3.460 -9.891 -1.109 1.00 0.00 C ATOM 594 C LYS A 42 4.464 -9.879 -2.257 1.00 0.00 C ATOM 595 O LYS A 42 5.482 -9.189 -2.197 1.00 0.00 O ATOM 596 CB LYS A 42 3.382 -11.293 -0.501 1.00 0.00 C ATOM 597 CG LYS A 42 3.022 -11.296 0.975 1.00 0.00 C ATOM 598 CD LYS A 42 2.388 -12.612 1.392 1.00 0.00 C ATOM 599 CE LYS A 42 0.877 -12.579 1.229 1.00 0.00 C ATOM 600 NZ LYS A 42 0.211 -13.663 2.004 1.00 0.00 N ATOM 0 H LYS A 42 1.446 -10.209 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 42 3.797 -9.189 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.642 -11.877 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.342 -11.791 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.918 -11.119 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.334 -10.477 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.802 -13.423 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.638 -12.824 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.497 -11.612 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.623 -12.679 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.699 -13.899 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.820 -14.506 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.046 -13.342 2.979 1.00 0.00 H new ATOM 614 N VAL A 43 4.171 -10.646 -3.303 1.00 0.00 N ATOM 615 CA VAL A 43 5.047 -10.721 -4.465 1.00 0.00 C ATOM 616 C VAL A 43 5.406 -9.330 -4.974 1.00 0.00 C ATOM 617 O VAL A 43 6.582 -8.989 -5.102 1.00 0.00 O ATOM 618 CB VAL A 43 4.396 -11.522 -5.608 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.357 -13.004 -5.269 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.997 -10.996 -5.896 1.00 0.00 C ATOM 0 H VAL A 43 3.333 -11.224 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 43 5.955 -11.232 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 43 5.000 -11.396 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.893 -13.553 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.373 -13.369 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.777 -13.154 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.551 -11.573 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.381 -11.091 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.055 -9.947 -6.187 1.00 0.00 H new ATOM 630 N ARG A 44 4.385 -8.530 -5.263 1.00 0.00 N ATOM 631 CA ARG A 44 4.593 -7.175 -5.759 1.00 0.00 C ATOM 632 C ARG A 44 5.530 -6.397 -4.839 1.00 0.00 C ATOM 633 O ARG A 44 6.401 -5.661 -5.302 1.00 0.00 O ATOM 634 CB ARG A 44 3.255 -6.442 -5.879 1.00 0.00 C ATOM 635 CG ARG A 44 2.581 -6.624 -7.229 1.00 0.00 C ATOM 636 CD ARG A 44 1.195 -5.999 -7.248 1.00 0.00 C ATOM 637 NE ARG A 44 0.700 -5.807 -8.609 1.00 0.00 N ATOM 638 CZ ARG A 44 1.186 -4.898 -9.446 1.00 0.00 C ATOM 639 NH1 ARG A 44 2.176 -4.103 -9.065 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.683 -4.784 -10.669 1.00 0.00 N ATOM 0 H ARG A 44 3.406 -8.797 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 44 5.053 -7.243 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.584 -6.797 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.416 -5.378 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.196 -6.172 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.505 -7.687 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.503 -6.635 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.223 -5.038 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.061 -6.404 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.567 -4.189 -8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.547 -3.406 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.078 -5.395 -10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.057 -4.085 -11.311 1.00 0.00 H new ATOM 654 N ALA A 45 5.343 -6.565 -3.534 1.00 0.00 N ATOM 655 CA ALA A 45 6.172 -5.880 -2.549 1.00 0.00 C ATOM 656 C ALA A 45 7.628 -6.322 -2.655 1.00 0.00 C ATOM 657 O ALA A 45 8.538 -5.492 -2.684 1.00 0.00 O ATOM 658 CB ALA A 45 5.642 -6.134 -1.146 1.00 0.00 C ATOM 0 H ALA A 45 4.625 -7.169 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 45 6.128 -4.810 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.270 -5.617 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.620 -5.763 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.656 -7.204 -0.940 1.00 0.00 H new ATOM 664 N LEU A 46 7.841 -7.632 -2.711 1.00 0.00 N ATOM 665 CA LEU A 46 9.188 -8.184 -2.813 1.00 0.00 C ATOM 666 C LEU A 46 9.897 -7.662 -4.058 1.00 0.00 C ATOM 667 O LEU A 46 11.065 -7.277 -4.003 1.00 0.00 O ATOM 668 CB LEU A 46 9.132 -9.712 -2.846 1.00 0.00 C ATOM 669 CG LEU A 46 8.636 -10.394 -1.570 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.148 -11.802 -1.873 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.735 -10.423 -0.519 1.00 0.00 C ATOM 0 H LEU A 46 7.099 -8.332 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 46 9.753 -7.866 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.486 -10.014 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.131 -10.087 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 46 7.799 -9.818 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.799 -12.272 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.329 -11.757 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.966 -12.388 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.364 -10.912 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.592 -10.975 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.037 -9.403 -0.280 1.00 0.00 H new ATOM 683 N GLU A 47 9.183 -7.651 -5.179 1.00 0.00 N ATOM 684 CA GLU A 47 9.745 -7.175 -6.438 1.00 0.00 C ATOM 685 C GLU A 47 10.069 -5.686 -6.360 1.00 0.00 C ATOM 686 O GLU A 47 10.857 -5.169 -7.153 1.00 0.00 O ATOM 687 CB GLU A 47 8.772 -7.437 -7.589 1.00 0.00 C ATOM 688 CG GLU A 47 8.531 -8.913 -7.857 1.00 0.00 C ATOM 689 CD GLU A 47 8.188 -9.194 -9.308 1.00 0.00 C ATOM 690 OE1 GLU A 47 8.948 -8.750 -10.194 1.00 0.00 O ATOM 691 OE2 GLU A 47 7.160 -9.858 -9.556 1.00 0.00 O ATOM 0 H GLU A 47 8.215 -7.966 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 47 10.670 -7.722 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.820 -6.957 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.159 -6.970 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.421 -9.479 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.720 -9.266 -7.221 1.00 0.00 H new ATOM 698 N CYS A 48 9.454 -5.002 -5.401 1.00 0.00 N ATOM 699 CA CYS A 48 9.675 -3.572 -5.220 1.00 0.00 C ATOM 700 C CYS A 48 10.034 -3.256 -3.772 1.00 0.00 C ATOM 701 O CYS A 48 9.611 -2.237 -3.224 1.00 0.00 O ATOM 702 CB CYS A 48 8.429 -2.786 -5.632 1.00 0.00 C ATOM 703 SG CYS A 48 7.046 -2.937 -4.478 1.00 0.00 S ATOM 0 H CYS A 48 8.799 -5.415 -4.737 1.00 0.00 H new ATOM 0 HA CYS A 48 10.510 -3.275 -5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.693 -1.733 -5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.106 -3.127 -6.616 1.00 0.00 H new ATOM 0 HG CYS A 48 6.363 -4.007 -4.757 1.00 0.00 H new ATOM 709 N HIS A 49 10.816 -4.137 -3.156 1.00 0.00 N ATOM 710 CA HIS A 49 11.231 -3.953 -1.770 1.00 0.00 C ATOM 711 C HIS A 49 12.447 -3.035 -1.685 1.00 0.00 C ATOM 712 O HIS A 49 13.401 -3.156 -2.453 1.00 0.00 O ATOM 713 CB HIS A 49 11.551 -5.303 -1.128 1.00 0.00 C ATOM 714 CG HIS A 49 11.480 -5.286 0.368 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.393 -4.619 1.157 1.00 0.00 N ATOM 716 CD2 HIS A 49 10.597 -5.858 1.219 1.00 0.00 C ATOM 717 CE1 HIS A 49 12.076 -4.783 2.429 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.989 -5.531 2.494 1.00 0.00 N ATOM 0 H HIS A 49 11.175 -4.985 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 49 10.407 -3.488 -1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.855 -6.051 -1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.550 -5.613 -1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.743 -6.460 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.614 -4.375 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.518 -5.819 3.352 1.00 0.00 H new ATOM 726 N PRO A 50 12.413 -2.094 -0.729 1.00 0.00 N ATOM 727 CA PRO A 50 13.504 -1.137 -0.521 1.00 0.00 C ATOM 728 C PRO A 50 14.757 -1.800 0.039 1.00 0.00 C ATOM 729 O PRO A 50 15.854 -1.623 -0.491 1.00 0.00 O ATOM 730 CB PRO A 50 12.921 -0.151 0.494 1.00 0.00 C ATOM 731 CG PRO A 50 11.880 -0.927 1.223 1.00 0.00 C ATOM 732 CD PRO A 50 11.307 -1.892 0.222 1.00 0.00 C ATOM 0 HA PRO A 50 13.822 -0.671 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.689 0.217 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.491 0.719 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.311 -1.456 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.106 -0.268 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.006 -2.828 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.424 -1.484 -0.270 1.00 0.00 H new ATOM 740 N ASP A 51 14.587 -2.565 1.112 1.00 0.00 N ATOM 741 CA ASP A 51 15.705 -3.256 1.744 1.00 0.00 C ATOM 742 C ASP A 51 16.504 -4.050 0.715 1.00 0.00 C ATOM 743 O ASP A 51 17.735 -4.016 0.706 1.00 0.00 O ATOM 744 CB ASP A 51 15.200 -4.188 2.846 1.00 0.00 C ATOM 745 CG ASP A 51 14.627 -3.430 4.028 1.00 0.00 C ATOM 746 OD1 ASP A 51 14.209 -2.268 3.841 1.00 0.00 O ATOM 747 OD2 ASP A 51 14.597 -3.999 5.139 1.00 0.00 O ATOM 0 H ASP A 51 13.685 -2.722 1.562 1.00 0.00 H new ATOM 0 HA ASP A 51 16.360 -2.506 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.436 -4.849 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.020 -4.821 3.187 1.00 0.00 H new ATOM 752 N LYS A 52 15.795 -4.767 -0.151 1.00 0.00 N ATOM 753 CA LYS A 52 16.436 -5.571 -1.185 1.00 0.00 C ATOM 754 C LYS A 52 17.032 -4.684 -2.273 1.00 0.00 C ATOM 755 O LYS A 52 18.058 -5.017 -2.868 1.00 0.00 O ATOM 756 CB LYS A 52 15.429 -6.544 -1.801 1.00 0.00 C ATOM 757 CG LYS A 52 15.935 -7.229 -3.059 1.00 0.00 C ATOM 758 CD LYS A 52 16.641 -8.536 -2.737 1.00 0.00 C ATOM 759 CE LYS A 52 17.185 -9.199 -3.992 1.00 0.00 C ATOM 760 NZ LYS A 52 18.515 -8.651 -4.377 1.00 0.00 N ATOM 0 H LYS A 52 14.776 -4.808 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 52 17.243 -6.138 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.172 -7.303 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.512 -6.004 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.099 -7.422 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.620 -6.565 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.458 -8.347 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.947 -9.213 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.269 -10.273 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.482 -9.056 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.852 -9.129 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.431 -7.630 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.193 -8.810 -3.605 1.00 0.00 H new ATOM 774 N HIS A 53 16.385 -3.551 -2.527 1.00 0.00 N ATOM 775 CA HIS A 53 16.852 -2.614 -3.543 1.00 0.00 C ATOM 776 C HIS A 53 17.089 -1.233 -2.940 1.00 0.00 C ATOM 777 O HIS A 53 16.246 -0.339 -3.024 1.00 0.00 O ATOM 778 CB HIS A 53 15.840 -2.519 -4.684 1.00 0.00 C ATOM 779 CG HIS A 53 15.485 -3.845 -5.282 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.355 -4.574 -6.065 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.347 -4.574 -5.208 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.767 -5.694 -6.447 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.548 -5.718 -5.940 1.00 0.00 N ATOM 0 H HIS A 53 15.536 -3.259 -2.043 1.00 0.00 H new ATOM 0 HA HIS A 53 17.798 -2.986 -3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.932 -2.042 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.244 -1.874 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.448 -4.306 -4.673 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.208 -6.459 -7.068 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.866 -6.465 -6.071 1.00 0.00 H new ATOM 791 N PRO A 54 18.262 -1.052 -2.315 1.00 0.00 N ATOM 792 CA PRO A 54 18.636 0.218 -1.686 1.00 0.00 C ATOM 793 C PRO A 54 18.900 1.317 -2.709 1.00 0.00 C ATOM 794 O PRO A 54 18.584 2.483 -2.476 1.00 0.00 O ATOM 795 CB PRO A 54 19.921 -0.126 -0.928 1.00 0.00 C ATOM 796 CG PRO A 54 20.491 -1.292 -1.660 1.00 0.00 C ATOM 797 CD PRO A 54 19.314 -2.073 -2.176 1.00 0.00 C ATOM 0 HA PRO A 54 17.840 0.607 -1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.614 0.715 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.712 -0.375 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.131 -0.964 -2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.106 -1.904 -1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.537 -2.553 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.020 -2.861 -1.483 1.00 0.00 H new ATOM 805 N GLU A 55 19.481 0.937 -3.843 1.00 0.00 N ATOM 806 CA GLU A 55 19.786 1.891 -4.902 1.00 0.00 C ATOM 807 C GLU A 55 18.572 2.758 -5.220 1.00 0.00 C ATOM 808 O GLU A 55 18.685 3.975 -5.362 1.00 0.00 O ATOM 809 CB GLU A 55 20.248 1.158 -6.163 1.00 0.00 C ATOM 810 CG GLU A 55 21.551 0.398 -5.982 1.00 0.00 C ATOM 811 CD GLU A 55 22.302 0.210 -7.286 1.00 0.00 C ATOM 812 OE1 GLU A 55 22.793 1.216 -7.840 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.399 -0.945 -7.753 1.00 0.00 O ATOM 0 H GLU A 55 19.750 -0.025 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 55 20.591 2.538 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.470 0.460 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.368 1.881 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.185 0.934 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.340 -0.578 -5.544 1.00 0.00 H new ATOM 820 N ASN A 56 17.411 2.122 -5.332 1.00 0.00 N ATOM 821 CA ASN A 56 16.174 2.834 -5.635 1.00 0.00 C ATOM 822 C ASN A 56 15.301 2.961 -4.391 1.00 0.00 C ATOM 823 O ASN A 56 14.495 2.085 -4.076 1.00 0.00 O ATOM 824 CB ASN A 56 15.403 2.111 -6.741 1.00 0.00 C ATOM 825 CG ASN A 56 15.498 0.602 -6.621 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.543 0.004 -5.917 1.00 0.00 O flip ATOM 827 ND2 ASN A 56 16.417 -0.018 -7.155 1.00 0.00 N flip ATOM 0 H ASN A 56 17.300 1.115 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 56 16.435 3.835 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.356 2.410 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.790 2.421 -7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.129 0.483 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.467 -1.033 -7.066 1.00 0.00 H new ATOM 834 N PRO A 57 15.463 4.078 -3.665 1.00 0.00 N ATOM 835 CA PRO A 57 14.698 4.347 -2.445 1.00 0.00 C ATOM 836 C PRO A 57 13.228 4.631 -2.733 1.00 0.00 C ATOM 837 O PRO A 57 12.359 4.369 -1.901 1.00 0.00 O ATOM 838 CB PRO A 57 15.379 5.590 -1.866 1.00 0.00 C ATOM 839 CG PRO A 57 15.999 6.263 -3.041 1.00 0.00 C ATOM 840 CD PRO A 57 16.406 5.163 -3.982 1.00 0.00 C ATOM 0 HA PRO A 57 14.695 3.492 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.659 6.242 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.129 5.321 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.294 6.943 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.861 6.858 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.325 5.474 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.440 4.857 -3.820 1.00 0.00 H new ATOM 848 N LYS A 58 12.955 5.167 -3.918 1.00 0.00 N ATOM 849 CA LYS A 58 11.589 5.485 -4.318 1.00 0.00 C ATOM 850 C LYS A 58 10.666 4.291 -4.099 1.00 0.00 C ATOM 851 O LYS A 58 9.482 4.456 -3.805 1.00 0.00 O ATOM 852 CB LYS A 58 11.552 5.910 -5.788 1.00 0.00 C ATOM 853 CG LYS A 58 11.802 7.393 -5.999 1.00 0.00 C ATOM 854 CD LYS A 58 11.167 7.887 -7.288 1.00 0.00 C ATOM 855 CE LYS A 58 11.917 7.378 -8.510 1.00 0.00 C ATOM 856 NZ LYS A 58 13.168 8.148 -8.754 1.00 0.00 N ATOM 0 H LYS A 58 13.662 5.390 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 58 11.238 6.311 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.300 5.342 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.580 5.651 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.400 7.954 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.875 7.582 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.129 7.557 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.156 8.977 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.160 6.324 -8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.272 7.446 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.650 7.770 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.935 9.150 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.795 8.063 -7.929 1.00 0.00 H new ATOM 870 N ALA A 59 11.215 3.090 -4.243 1.00 0.00 N ATOM 871 CA ALA A 59 10.442 1.869 -4.058 1.00 0.00 C ATOM 872 C ALA A 59 9.652 1.912 -2.754 1.00 0.00 C ATOM 873 O ALA A 59 8.498 1.485 -2.700 1.00 0.00 O ATOM 874 CB ALA A 59 11.358 0.654 -4.082 1.00 0.00 C ATOM 0 H ALA A 59 12.193 2.937 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 59 9.732 1.791 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.766 -0.251 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.874 0.606 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.091 0.735 -3.280 1.00 0.00 H new ATOM 880 N VAL A 60 10.281 2.429 -1.703 1.00 0.00 N ATOM 881 CA VAL A 60 9.637 2.528 -0.399 1.00 0.00 C ATOM 882 C VAL A 60 8.216 3.067 -0.527 1.00 0.00 C ATOM 883 O VAL A 60 7.311 2.633 0.185 1.00 0.00 O ATOM 884 CB VAL A 60 10.435 3.438 0.554 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.719 3.572 1.889 1.00 0.00 C ATOM 886 CG2 VAL A 60 11.845 2.901 0.746 1.00 0.00 C ATOM 0 H VAL A 60 11.236 2.786 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 60 9.605 1.520 0.015 1.00 0.00 H new ATOM 0 HB VAL A 60 10.507 4.430 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.298 4.218 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.732 4.006 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.614 2.588 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.395 3.556 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.798 1.898 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.354 2.864 -0.217 1.00 0.00 H new ATOM 896 N GLU A 61 8.028 4.014 -1.441 1.00 0.00 N ATOM 897 CA GLU A 61 6.717 4.611 -1.662 1.00 0.00 C ATOM 898 C GLU A 61 5.706 3.557 -2.105 1.00 0.00 C ATOM 899 O GLU A 61 4.673 3.362 -1.464 1.00 0.00 O ATOM 900 CB GLU A 61 6.808 5.720 -2.713 1.00 0.00 C ATOM 901 CG GLU A 61 5.551 6.568 -2.813 1.00 0.00 C ATOM 902 CD GLU A 61 5.464 7.331 -4.121 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.726 6.723 -5.180 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.135 8.535 -4.086 1.00 0.00 O ATOM 0 H GLU A 61 8.767 4.384 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 61 6.378 5.040 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.654 6.365 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.012 5.272 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.676 5.926 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.526 7.274 -1.983 1.00 0.00 H new ATOM 911 N THR A 62 6.011 2.880 -3.208 1.00 0.00 N ATOM 912 CA THR A 62 5.131 1.847 -3.739 1.00 0.00 C ATOM 913 C THR A 62 4.711 0.868 -2.648 1.00 0.00 C ATOM 914 O THR A 62 3.556 0.445 -2.590 1.00 0.00 O ATOM 915 CB THR A 62 5.806 1.066 -4.882 1.00 0.00 C ATOM 916 OG1 THR A 62 6.171 1.962 -5.938 1.00 0.00 O ATOM 917 CG2 THR A 62 4.878 -0.012 -5.423 1.00 0.00 C ATOM 0 H THR A 62 6.862 3.029 -3.751 1.00 0.00 H new ATOM 0 HA THR A 62 4.248 2.354 -4.128 1.00 0.00 H new ATOM 0 HB THR A 62 6.701 0.587 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.601 1.458 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.376 -0.550 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.625 -0.709 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.967 0.450 -5.804 1.00 0.00 H new ATOM 925 N PHE A 63 5.656 0.512 -1.784 1.00 0.00 N ATOM 926 CA PHE A 63 5.384 -0.419 -0.695 1.00 0.00 C ATOM 927 C PHE A 63 4.420 0.195 0.316 1.00 0.00 C ATOM 928 O PHE A 63 3.370 -0.374 0.612 1.00 0.00 O ATOM 929 CB PHE A 63 6.687 -0.816 0.002 1.00 0.00 C ATOM 930 CG PHE A 63 6.614 -2.147 0.695 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.542 -2.457 1.515 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.618 -3.086 0.527 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.473 -3.680 2.155 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.555 -4.311 1.164 1.00 0.00 C ATOM 935 CZ PHE A 63 6.480 -4.609 1.978 1.00 0.00 C ATOM 0 H PHE A 63 6.616 0.854 -1.817 1.00 0.00 H new ATOM 0 HA PHE A 63 4.921 -1.310 -1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.490 -0.842 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.948 -0.049 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.751 -1.735 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.460 -2.858 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.632 -3.909 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.345 -5.034 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.427 -5.566 2.475 1.00 0.00 H new ATOM 945 N GLN A 64 4.787 1.359 0.843 1.00 0.00 N ATOM 946 CA GLN A 64 3.955 2.050 1.822 1.00 0.00 C ATOM 947 C GLN A 64 2.479 1.940 1.456 1.00 0.00 C ATOM 948 O GLN A 64 1.617 1.845 2.331 1.00 0.00 O ATOM 949 CB GLN A 64 4.361 3.521 1.919 1.00 0.00 C ATOM 950 CG GLN A 64 5.644 3.748 2.703 1.00 0.00 C ATOM 951 CD GLN A 64 5.851 5.203 3.075 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.276 6.101 2.459 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.675 5.444 4.088 1.00 0.00 N ATOM 0 H GLN A 64 5.654 1.843 0.609 1.00 0.00 H new ATOM 0 HA GLN A 64 4.106 1.574 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.484 3.922 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.553 4.082 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.622 3.145 3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.492 3.404 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.130 4.669 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.853 6.404 4.384 1.00 0.00 H new ATOM 962 N LYS A 65 2.193 1.954 0.159 1.00 0.00 N ATOM 963 CA LYS A 65 0.821 1.855 -0.324 1.00 0.00 C ATOM 964 C LYS A 65 0.352 0.403 -0.338 1.00 0.00 C ATOM 965 O LYS A 65 -0.758 0.094 0.097 1.00 0.00 O ATOM 966 CB LYS A 65 0.708 2.452 -1.728 1.00 0.00 C ATOM 967 CG LYS A 65 1.760 3.507 -2.027 1.00 0.00 C ATOM 968 CD LYS A 65 1.316 4.436 -3.144 1.00 0.00 C ATOM 969 CE LYS A 65 1.553 3.816 -4.512 1.00 0.00 C ATOM 970 NZ LYS A 65 1.641 4.849 -5.582 1.00 0.00 N ATOM 0 H LYS A 65 2.894 2.033 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 65 0.182 2.418 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.790 1.651 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.281 2.893 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.960 4.088 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.695 3.021 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.257 4.668 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.858 5.379 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.475 3.234 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.744 3.123 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.803 4.386 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.752 5.388 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.429 5.495 -5.377 1.00 0.00 H new ATOM 984 N LEU A 66 1.205 -0.484 -0.840 1.00 0.00 N ATOM 985 CA LEU A 66 0.878 -1.904 -0.910 1.00 0.00 C ATOM 986 C LEU A 66 0.278 -2.390 0.406 1.00 0.00 C ATOM 987 O LEU A 66 -0.653 -3.195 0.414 1.00 0.00 O ATOM 988 CB LEU A 66 2.129 -2.719 -1.245 1.00 0.00 C ATOM 989 CG LEU A 66 2.552 -2.724 -2.714 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.774 -3.607 -2.914 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.405 -3.190 -3.598 1.00 0.00 C ATOM 0 H LEU A 66 2.127 -0.245 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 66 0.139 -2.043 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.958 -2.336 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.962 -3.750 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 66 2.814 -1.705 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.061 -3.599 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.599 -3.229 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.539 -4.627 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.724 -3.187 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.112 -4.200 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.556 -2.517 -3.477 1.00 0.00 H new ATOM 1003 N GLN A 67 0.817 -1.893 1.515 1.00 0.00 N ATOM 1004 CA GLN A 67 0.333 -2.276 2.836 1.00 0.00 C ATOM 1005 C GLN A 67 -0.957 -1.539 3.178 1.00 0.00 C ATOM 1006 O GLN A 67 -1.753 -2.004 3.994 1.00 0.00 O ATOM 1007 CB GLN A 67 1.397 -1.986 3.896 1.00 0.00 C ATOM 1008 CG GLN A 67 1.593 -0.504 4.171 1.00 0.00 C ATOM 1009 CD GLN A 67 2.035 -0.228 5.595 1.00 0.00 C ATOM 1010 OE1 GLN A 67 1.247 -0.341 6.535 1.00 0.00 O ATOM 1011 NE2 GLN A 67 3.301 0.135 5.762 1.00 0.00 N ATOM 0 H GLN A 67 1.588 -1.225 1.525 1.00 0.00 H new ATOM 0 HA GLN A 67 0.126 -3.346 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.119 -2.486 4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.345 -2.416 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.336 -0.105 3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.660 0.024 3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.919 0.216 4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.656 0.333 6.698 1.00 0.00 H new ATOM 1020 N LYS A 68 -1.158 -0.385 2.550 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.351 0.418 2.786 1.00 0.00 C ATOM 1022 C LYS A 68 -3.558 -0.177 2.068 1.00 0.00 C ATOM 1023 O LYS A 68 -4.561 -0.515 2.696 1.00 0.00 O ATOM 1024 CB LYS A 68 -2.124 1.857 2.317 1.00 0.00 C ATOM 1025 CG LYS A 68 -3.409 2.645 2.130 1.00 0.00 C ATOM 1026 CD LYS A 68 -4.272 2.611 3.380 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.863 3.692 4.369 1.00 0.00 C ATOM 1028 NZ LYS A 68 -4.197 5.055 3.870 1.00 0.00 N ATOM 0 H LYS A 68 -0.509 0.015 1.873 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.551 0.419 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.494 2.372 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.577 1.841 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.170 3.679 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.969 2.235 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.318 2.745 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.190 1.633 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.364 3.521 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.791 3.626 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.403 5.699 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.374 5.016 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.048 5.403 4.355 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.454 -0.303 0.750 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.536 -0.861 -0.053 1.00 0.00 C ATOM 1044 C ALA A 69 -4.966 -2.224 0.478 1.00 0.00 C ATOM 1045 O ALA A 69 -6.153 -2.549 0.496 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.111 -0.969 -1.510 1.00 0.00 C ATOM 0 H ALA A 69 -2.631 -0.026 0.215 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.391 -0.188 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.928 -1.387 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.860 0.021 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.239 -1.619 -1.588 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.993 -3.020 0.908 1.00 0.00 N ATOM 1053 CA LYS A 70 -4.270 -4.349 1.440 1.00 0.00 C ATOM 1054 C LYS A 70 -5.236 -4.274 2.618 1.00 0.00 C ATOM 1055 O LYS A 70 -6.365 -4.757 2.537 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.969 -5.028 1.876 1.00 0.00 C ATOM 1057 CG LYS A 70 -3.185 -6.334 2.620 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.018 -6.650 3.542 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.162 -5.950 4.884 1.00 0.00 C ATOM 1060 NZ LYS A 70 -1.598 -4.572 4.854 1.00 0.00 N ATOM 0 H LYS A 70 -3.005 -2.768 0.898 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.734 -4.939 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.355 -5.218 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.408 -4.345 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.104 -6.274 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.314 -7.145 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.957 -7.727 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.085 -6.343 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.216 -5.905 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.656 -6.533 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.386 -4.262 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.724 -4.567 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.289 -3.923 4.427 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.785 -3.663 3.709 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.612 -3.525 4.902 1.00 0.00 C ATOM 1076 C GLU A 71 -7.002 -3.006 4.544 1.00 0.00 C ATOM 1077 O GLU A 71 -8.013 -3.602 4.918 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.945 -2.580 5.904 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.565 -2.627 7.291 1.00 0.00 C ATOM 1080 CD GLU A 71 -6.761 -1.706 7.428 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -6.685 -0.560 6.937 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -7.772 -2.129 8.025 1.00 0.00 O ATOM 0 H GLU A 71 -3.853 -3.256 3.791 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.717 -4.510 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.887 -2.832 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.004 -1.560 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.871 -3.649 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.813 -2.352 8.030 1.00 0.00 H new ATOM 1089 N ILE A 72 -7.043 -1.894 3.819 1.00 0.00 N ATOM 1090 CA ILE A 72 -8.308 -1.296 3.410 1.00 0.00 C ATOM 1091 C ILE A 72 -9.217 -2.328 2.753 1.00 0.00 C ATOM 1092 O ILE A 72 -10.400 -2.429 3.082 1.00 0.00 O ATOM 1093 CB ILE A 72 -8.087 -0.126 2.433 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -7.262 0.976 3.100 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.423 0.421 1.952 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.952 1.613 4.286 1.00 0.00 C ATOM 0 H ILE A 72 -6.215 -1.389 3.503 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.786 -0.919 4.314 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.534 -0.493 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.309 0.559 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.038 1.747 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.251 1.247 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.977 -0.368 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.000 0.776 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.309 2.385 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.892 2.060 3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.152 0.853 5.042 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.658 -3.095 1.824 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.418 -4.123 1.120 1.00 0.00 C ATOM 1110 C LEU A 73 -9.717 -5.303 2.039 1.00 0.00 C ATOM 1111 O LEU A 73 -10.867 -5.541 2.409 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.647 -4.603 -0.111 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.417 -3.561 -1.206 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.463 -4.099 -2.262 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.739 -3.152 -1.838 1.00 0.00 C ATOM 0 H LEU A 73 -7.681 -3.025 1.540 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.364 -3.686 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.677 -4.978 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.184 -5.446 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.965 -2.679 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.311 -3.344 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.507 -4.342 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.887 -4.997 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.557 -2.410 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.218 -4.027 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.391 -2.726 -1.075 1.00 0.00 H new ATOM 1127 N THR A 74 -8.673 -6.040 2.406 1.00 0.00 N ATOM 1128 CA THR A 74 -8.823 -7.195 3.283 1.00 0.00 C ATOM 1129 C THR A 74 -9.926 -6.967 4.309 1.00 0.00 C ATOM 1130 O THR A 74 -10.749 -7.848 4.556 1.00 0.00 O ATOM 1131 CB THR A 74 -7.509 -7.515 4.021 1.00 0.00 C ATOM 1132 OG1 THR A 74 -7.081 -6.375 4.775 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.420 -7.916 3.038 1.00 0.00 C ATOM 0 H THR A 74 -7.714 -5.857 2.109 1.00 0.00 H new ATOM 0 HA THR A 74 -9.090 -8.040 2.649 1.00 0.00 H new ATOM 0 HB THR A 74 -7.692 -8.350 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.856 -5.644 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.502 -8.137 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.736 -8.801 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.240 -7.098 2.341 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.939 -5.778 4.903 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.943 -5.434 5.904 1.00 0.00 C ATOM 1143 C ASN A 75 -12.214 -4.911 5.241 1.00 0.00 C ATOM 1144 O ASN A 75 -12.169 -3.981 4.437 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.390 -4.385 6.871 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.350 -4.959 7.813 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -8.089 -4.611 7.585 1.00 0.00 O flip ATOM 1148 ND2 ASN A 75 -9.676 -5.707 8.736 1.00 0.00 N flip ATOM 0 H ASN A 75 -9.266 -5.037 4.709 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.190 -6.338 6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.949 -3.567 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.210 -3.963 7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.657 -5.948 8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.965 -6.085 9.362 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.346 -5.517 5.586 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.630 -5.112 5.024 1.00 0.00 C ATOM 1157 C GLU A 76 -15.023 -3.721 5.513 1.00 0.00 C ATOM 1158 O GLU A 76 -15.550 -2.911 4.751 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.717 -6.122 5.398 1.00 0.00 C ATOM 1160 CG GLU A 76 -17.064 -5.832 4.758 1.00 0.00 C ATOM 1161 CD GLU A 76 -17.162 -6.361 3.340 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.622 -5.707 2.424 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -17.779 -7.429 3.148 1.00 0.00 O ATOM 0 H GLU A 76 -13.400 -6.289 6.251 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.530 -5.082 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.391 -7.119 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.834 -6.133 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.853 -6.278 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.235 -4.756 4.753 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.763 -3.452 6.789 1.00 0.00 N ATOM 1171 CA GLU A 77 -15.091 -2.160 7.379 1.00 0.00 C ATOM 1172 C GLU A 77 -14.438 -1.023 6.598 1.00 0.00 C ATOM 1173 O GLU A 77 -15.087 -0.031 6.266 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.642 -2.113 8.841 1.00 0.00 C ATOM 1175 CG GLU A 77 -15.446 -1.146 9.694 1.00 0.00 C ATOM 1176 CD GLU A 77 -16.662 -1.796 10.323 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -16.543 -2.945 10.797 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -17.734 -1.155 10.341 1.00 0.00 O ATOM 0 H GLU A 77 -14.326 -4.111 7.433 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.173 -2.034 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.720 -3.113 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.590 -1.831 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.807 -0.743 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.766 -0.304 9.079 1.00 0.00 H new ATOM 1185 N SER A 78 -13.150 -1.176 6.308 1.00 0.00 N ATOM 1186 CA SER A 78 -12.407 -0.162 5.570 1.00 0.00 C ATOM 1187 C SER A 78 -12.743 -0.217 4.083 1.00 0.00 C ATOM 1188 O SER A 78 -12.999 0.811 3.455 1.00 0.00 O ATOM 1189 CB SER A 78 -10.903 -0.353 5.772 1.00 0.00 C ATOM 1190 OG SER A 78 -10.523 -0.044 7.102 1.00 0.00 O ATOM 0 H SER A 78 -12.599 -1.993 6.573 1.00 0.00 H new ATOM 0 HA SER A 78 -12.696 0.816 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.630 -1.383 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.356 0.284 5.077 1.00 0.00 H new ATOM 0 HG SER A 78 -9.557 -0.176 7.205 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.739 -1.423 3.526 1.00 0.00 N ATOM 1197 CA ARG A 79 -13.042 -1.614 2.113 1.00 0.00 C ATOM 1198 C ARG A 79 -14.396 -1.004 1.760 1.00 0.00 C ATOM 1199 O ARG A 79 -14.565 -0.420 0.690 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.035 -3.103 1.764 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.167 -3.380 0.275 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.409 -4.857 0.003 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.919 -5.259 -1.313 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.975 -6.505 -1.769 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.497 -7.466 -1.020 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.507 -6.792 -2.977 1.00 0.00 N ATOM 0 H ARG A 79 -12.529 -2.283 4.032 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.272 -1.108 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.109 -3.548 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.853 -3.595 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.990 -2.794 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.261 -3.058 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.915 -5.453 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.476 -5.068 0.073 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.511 -4.543 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.857 -7.249 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.539 -8.422 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.104 -6.055 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.550 -7.749 -3.327 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.357 -1.146 2.667 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.695 -0.609 2.452 1.00 0.00 C ATOM 1222 C ALA A 80 -16.656 0.904 2.265 1.00 0.00 C ATOM 1223 O ALA A 80 -17.344 1.451 1.403 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.604 -0.975 3.616 1.00 0.00 C ATOM 0 H ALA A 80 -15.234 -1.628 3.557 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.095 -1.052 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.600 -0.567 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.666 -2.060 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.198 -0.560 4.539 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.847 1.576 3.079 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.719 3.026 3.004 1.00 0.00 C ATOM 1232 C ARG A 81 -15.105 3.450 1.673 1.00 0.00 C ATOM 1233 O ARG A 81 -15.680 4.255 0.940 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.863 3.545 4.161 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.540 3.431 5.517 1.00 0.00 C ATOM 1236 CD ARG A 81 -15.016 4.475 6.490 1.00 0.00 C ATOM 1237 NE ARG A 81 -15.581 4.311 7.827 1.00 0.00 N ATOM 1238 CZ ARG A 81 -15.217 3.347 8.665 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -14.292 2.467 8.307 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -15.777 3.262 9.865 1.00 0.00 N ATOM 0 H ARG A 81 -15.271 1.139 3.798 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.717 3.457 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.925 2.991 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.612 4.589 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.617 3.550 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.373 2.434 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.930 4.406 6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.254 5.471 6.116 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.294 4.973 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.858 2.529 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.014 1.728 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.488 3.938 10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.496 2.521 10.507 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.934 2.903 1.367 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.240 3.226 0.126 1.00 0.00 C ATOM 1256 C TYR A 82 -14.207 3.231 -1.053 1.00 0.00 C ATOM 1257 O TYR A 82 -14.159 4.118 -1.906 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.113 2.224 -0.128 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.260 2.565 -1.330 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.368 3.630 -1.294 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.346 1.822 -2.501 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -9.587 3.945 -2.389 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.568 2.129 -3.600 1.00 0.00 C ATOM 1264 CZ TYR A 82 -9.691 3.191 -3.539 1.00 0.00 C ATOM 1265 OH TYR A 82 -8.915 3.501 -4.633 1.00 0.00 O ATOM 0 H TYR A 82 -13.445 2.234 1.961 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.814 4.224 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.477 2.173 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.544 1.233 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.284 4.222 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.033 0.990 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.899 4.777 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.646 1.540 -4.502 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.025 3.781 -4.334 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.085 2.235 -1.094 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.066 2.124 -2.168 1.00 0.00 C ATOM 1277 C ASP A 83 -16.979 3.345 -2.198 1.00 0.00 C ATOM 1278 O ASP A 83 -17.411 3.784 -3.265 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.899 0.853 -1.996 1.00 0.00 C ATOM 1280 CG ASP A 83 -16.211 -0.372 -2.564 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -14.968 -0.454 -2.465 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.914 -1.250 -3.106 1.00 0.00 O ATOM 0 H ASP A 83 -15.138 1.493 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.528 2.072 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.100 0.695 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.863 0.985 -2.487 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.269 3.890 -1.021 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.132 5.062 -0.913 1.00 0.00 C ATOM 1289 C HIS A 84 -17.467 6.286 -1.535 1.00 0.00 C ATOM 1290 O HIS A 84 -18.141 7.163 -2.075 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.468 5.340 0.552 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.317 6.557 0.751 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.622 6.645 0.314 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.041 7.741 1.347 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.111 7.831 0.630 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.172 8.515 1.258 1.00 0.00 N ATOM 0 H HIS A 84 -16.920 3.540 -0.129 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.054 4.855 -1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.984 4.475 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.541 5.458 1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.106 8.024 1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.109 8.182 0.412 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.271 9.464 1.618 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.142 6.338 -1.455 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.386 7.455 -2.010 1.00 0.00 C ATOM 1306 C TRP A 85 -15.308 7.358 -3.529 1.00 0.00 C ATOM 1307 O TRP A 85 -15.586 8.326 -4.237 1.00 0.00 O ATOM 1308 CB TRP A 85 -13.977 7.489 -1.416 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.092 8.521 -2.046 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.021 9.847 -1.726 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.152 8.312 -3.106 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.095 10.475 -2.523 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.547 9.555 -3.377 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -11.762 7.196 -3.851 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.575 9.710 -4.362 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -10.797 7.352 -4.828 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.212 8.601 -5.076 1.00 0.00 C ATOM 0 H TRP A 85 -15.569 5.620 -1.011 1.00 0.00 H new ATOM 0 HA TRP A 85 -15.905 8.378 -1.750 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.046 7.684 -0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.518 6.507 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.607 10.331 -0.959 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.855 11.466 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.207 6.229 -3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.124 10.672 -4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.488 6.496 -5.410 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.460 8.690 -5.846 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.929 6.185 -4.025 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.814 5.963 -5.461 1.00 0.00 C ATOM 1330 C ARG A 86 -15.932 6.680 -6.213 1.00 0.00 C ATOM 1331 O ARG A 86 -15.675 7.563 -7.031 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.855 4.466 -5.772 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.485 3.807 -5.775 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.596 2.290 -5.788 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.727 1.762 -7.143 1.00 0.00 N ATOM 1336 CZ ARG A 86 -14.880 1.705 -7.801 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -15.994 2.142 -7.232 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -14.918 1.210 -9.032 1.00 0.00 N ATOM 0 H ARG A 86 -14.696 5.373 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.858 6.370 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.487 3.968 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.322 4.318 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.922 4.139 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.926 4.124 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.714 1.858 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.458 1.985 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.888 1.418 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.968 2.523 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.878 2.097 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.062 0.873 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.803 1.166 -9.537 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.171 6.294 -5.930 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.327 6.898 -6.580 1.00 0.00 C ATOM 1354 C ARG A 87 -18.329 8.412 -6.389 1.00 0.00 C ATOM 1355 O ARG A 87 -18.625 9.165 -7.317 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.622 6.302 -6.024 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.787 4.821 -6.321 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.613 4.127 -5.249 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.087 2.817 -5.687 1.00 0.00 N ATOM 1360 CZ ARG A 87 -21.924 2.065 -4.981 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.377 2.491 -3.810 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.310 0.883 -5.446 1.00 0.00 N ATOM 0 H ARG A 87 -17.400 5.565 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.265 6.683 -7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -19.647 6.453 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.470 6.844 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -20.268 4.695 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.806 4.351 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.013 4.012 -4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.466 4.752 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.757 2.460 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.083 3.398 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.020 1.911 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -21.964 0.551 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -22.953 0.306 -4.903 1.00 0.00 H new ATOM 1376 N SER A 88 -17.996 8.851 -5.180 1.00 0.00 N ATOM 1377 CA SER A 88 -17.963 10.275 -4.865 1.00 0.00 C ATOM 1378 C SER A 88 -17.152 11.042 -5.905 1.00 0.00 C ATOM 1379 O SER A 88 -17.564 12.107 -6.366 1.00 0.00 O ATOM 1380 CB SER A 88 -17.370 10.498 -3.473 1.00 0.00 C ATOM 1381 OG SER A 88 -17.912 11.658 -2.867 1.00 0.00 O ATOM 0 H SER A 88 -17.745 8.241 -4.402 1.00 0.00 H new ATOM 0 HA SER A 88 -18.987 10.649 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.570 9.629 -2.846 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.287 10.595 -3.547 1.00 0.00 H new ATOM 0 HG SER A 88 -17.926 11.543 -1.894 1.00 0.00 H new ATOM 1387 N GLN A 89 -15.999 10.493 -6.270 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.129 11.125 -7.255 1.00 0.00 C ATOM 1389 C GLN A 89 -14.730 12.528 -6.808 1.00 0.00 C ATOM 1390 O GLN A 89 -14.805 13.481 -7.582 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.826 11.189 -8.615 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.640 9.935 -9.453 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.501 9.935 -10.702 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -16.123 10.496 -11.730 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -17.666 9.303 -10.618 1.00 0.00 N ATOM 0 H GLN A 89 -15.645 9.611 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.226 10.522 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.892 11.358 -8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.445 12.046 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.592 9.846 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.882 9.060 -8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.939 8.851 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -18.287 9.269 -11.426 1.00 0.00 H new ATOM 1404 N MET A 90 -14.307 12.646 -5.553 1.00 0.00 N ATOM 1405 CA MET A 90 -13.896 13.932 -5.004 1.00 0.00 C ATOM 1406 C MET A 90 -12.613 14.422 -5.668 1.00 0.00 C ATOM 1407 O MET A 90 -11.898 13.649 -6.305 1.00 0.00 O ATOM 1408 CB MET A 90 -13.691 13.823 -3.492 1.00 0.00 C ATOM 1409 CG MET A 90 -14.990 13.732 -2.708 1.00 0.00 C ATOM 1410 SD MET A 90 -14.746 13.934 -0.933 1.00 0.00 S ATOM 1411 CE MET A 90 -16.043 12.879 -0.290 1.00 0.00 C ATOM 0 H MET A 90 -14.240 11.867 -4.898 1.00 0.00 H new ATOM 0 HA MET A 90 -14.687 14.654 -5.205 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.085 12.943 -3.278 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.128 14.690 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.680 14.497 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.458 12.766 -2.899 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.175 13.072 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.975 13.088 -0.815 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.769 11.834 -0.438 1.00 0.00 H new ATOM 1421 N SER A 91 -12.328 15.712 -5.516 1.00 0.00 N ATOM 1422 CA SER A 91 -11.134 16.305 -6.105 1.00 0.00 C ATOM 1423 C SER A 91 -9.872 15.726 -5.474 1.00 0.00 C ATOM 1424 O SER A 91 -8.884 15.466 -6.161 1.00 0.00 O ATOM 1425 CB SER A 91 -11.154 17.825 -5.930 1.00 0.00 C ATOM 1426 OG SER A 91 -12.250 18.403 -6.618 1.00 0.00 O ATOM 0 H SER A 91 -12.908 16.366 -4.990 1.00 0.00 H new ATOM 0 HA SER A 91 -11.128 16.069 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.215 18.071 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.222 18.249 -6.303 1.00 0.00 H new ATOM 0 HG SER A 91 -12.242 19.374 -6.489 1.00 0.00 H new ATOM 1432 N MET A 92 -9.912 15.527 -4.161 1.00 0.00 N ATOM 1433 CA MET A 92 -8.772 14.977 -3.436 1.00 0.00 C ATOM 1434 C MET A 92 -8.877 13.459 -3.328 1.00 0.00 C ATOM 1435 O MET A 92 -9.963 12.882 -3.392 1.00 0.00 O ATOM 1436 CB MET A 92 -8.683 15.594 -2.039 1.00 0.00 C ATOM 1437 CG MET A 92 -9.442 14.812 -0.980 1.00 0.00 C ATOM 1438 SD MET A 92 -11.229 14.872 -1.218 1.00 0.00 S ATOM 1439 CE MET A 92 -11.785 15.151 0.462 1.00 0.00 C ATOM 0 H MET A 92 -10.721 15.738 -3.577 1.00 0.00 H new ATOM 0 HA MET A 92 -7.867 15.222 -3.992 1.00 0.00 H new ATOM 0 HB2 MET A 92 -7.635 15.662 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.071 16.612 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.112 13.773 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.197 15.210 0.005 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.782 15.592 0.447 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.816 14.202 0.997 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.096 15.829 0.965 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.724 12.795 -3.162 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.660 11.336 -3.042 1.00 0.00 C ATOM 1451 C PRO A 93 -8.251 10.836 -1.728 1.00 0.00 C ATOM 1452 O PRO A 93 -8.508 11.619 -0.813 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.160 11.040 -3.100 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.508 12.291 -2.622 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.392 13.419 -3.077 1.00 0.00 C ATOM 0 HA PRO A 93 -8.237 10.838 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.899 10.191 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.844 10.791 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.407 12.288 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.504 12.391 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.381 14.249 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.072 13.817 -4.040 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.465 9.527 -1.640 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.026 8.923 -0.438 1.00 0.00 C ATOM 1465 C PHE A 94 -8.105 9.139 0.760 1.00 0.00 C ATOM 1466 O PHE A 94 -8.549 9.552 1.830 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.258 7.426 -0.654 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.716 6.706 0.582 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -8.795 6.211 1.492 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -11.066 6.523 0.833 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -9.213 5.548 2.631 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -11.489 5.861 1.970 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.562 5.372 2.869 1.00 0.00 C ATOM 0 H PHE A 94 -8.258 8.864 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.981 9.405 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.001 7.291 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.333 6.971 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.739 6.345 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -11.796 6.902 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.486 5.168 3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.544 5.726 2.155 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.891 4.853 3.757 1.00 0.00 H new ATOM 1483 N GLN A 95 -6.821 8.854 0.570 1.00 0.00 N ATOM 1484 CA GLN A 95 -5.837 9.016 1.634 1.00 0.00 C ATOM 1485 C GLN A 95 -6.113 10.279 2.443 1.00 0.00 C ATOM 1486 O GLN A 95 -5.825 10.336 3.638 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.425 9.068 1.049 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.216 10.210 0.067 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.901 10.103 -0.680 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.399 9.005 -0.923 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.335 11.246 -1.050 1.00 0.00 N ATOM 0 H GLN A 95 -6.438 8.510 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.914 8.156 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.706 9.164 1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.214 8.124 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.037 10.223 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.248 11.157 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.786 12.134 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.450 11.236 -1.556 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.672 11.288 1.783 1.00 0.00 N ATOM 1501 CA GLN A 96 -6.985 12.551 2.441 1.00 0.00 C ATOM 1502 C GLN A 96 -8.360 12.496 3.099 1.00 0.00 C ATOM 1503 O GLN A 96 -8.549 12.998 4.206 1.00 0.00 O ATOM 1504 CB GLN A 96 -6.933 13.702 1.435 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.096 15.073 2.070 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.897 16.203 1.079 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -5.895 16.248 0.365 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.854 17.123 1.030 1.00 0.00 N ATOM 0 H GLN A 96 -6.917 11.256 0.793 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.238 12.722 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.981 13.667 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.717 13.560 0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.091 15.150 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.380 15.179 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.667 17.046 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.775 17.907 0.382 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.315 11.884 2.409 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.674 11.764 2.926 1.00 0.00 C ATOM 1519 C TRP A 97 -10.673 11.152 4.323 1.00 0.00 C ATOM 1520 O TRP A 97 -11.496 11.507 5.165 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.527 10.913 1.984 1.00 0.00 C ATOM 1522 CG TRP A 97 -12.985 10.921 2.332 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.827 11.996 2.308 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.771 9.803 2.757 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.089 11.613 2.693 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.081 10.273 2.973 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.496 8.450 2.974 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.111 9.437 3.397 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.519 7.622 3.395 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.814 8.117 3.602 1.00 0.00 C ATOM 0 H TRP A 97 -9.174 11.463 1.491 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.102 12.765 2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.402 11.277 0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.162 9.886 2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.543 12.999 2.028 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.900 12.227 2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.502 8.059 2.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.109 9.817 3.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.317 6.575 3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.592 7.444 3.930 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.743 10.231 4.560 1.00 0.00 N ATOM 1542 CA GLU A 98 -9.637 9.571 5.856 1.00 0.00 C ATOM 1543 C GLU A 98 -9.529 10.595 6.981 1.00 0.00 C ATOM 1544 O GLU A 98 -10.124 10.429 8.045 1.00 0.00 O ATOM 1545 CB GLU A 98 -8.424 8.639 5.880 1.00 0.00 C ATOM 1546 CG GLU A 98 -8.082 8.049 4.522 1.00 0.00 C ATOM 1547 CD GLU A 98 -7.251 6.785 4.628 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -7.614 5.902 5.432 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -6.238 6.679 3.905 1.00 0.00 O ATOM 0 H GLU A 98 -9.054 9.926 3.873 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.541 8.982 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.561 9.189 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.614 7.827 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.004 7.829 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.538 8.789 3.935 1.00 0.00 H new