USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 59 MET CE :methyl -178:sc= -3.67! (180deg=-3.09!) USER MOD Set 1.2: A 68 GLN : amide:sc= -2.21! C(o=-6.8!,f=-8.5!) USER MOD Set 1.3: A 86 LYS NZ :NH3+ 162:sc= -0.878 (180deg=0) USER MOD Set 2.1: A 32 MET CE :methyl -149:sc= -7.13! (180deg=-7.99!) USER MOD Set 2.2: A 34 CYS SG : rot 0:sc= -7.51! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.96 K(o=-0.96,f=-0.29) USER MOD Single : A 31 GLN : amide:sc= -4.81! C(o=-4.8!,f=-3.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.896) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 90:sc= 0.0864 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.73 K(o=-3.7,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00135 K(o=-0.0013,f=-1.2) USER MOD Single : A 61 SER OG : rot 170:sc= -0.204 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 120:sc= -1.7 USER MOD Single : A 69 SER OG : rot 110:sc= -0.965 USER MOD Single : A 73 MET CE :methyl -133:sc= -4.68! (180deg=-8.85!) USER MOD Single : A 75 THR OG1 : rot -74:sc= 0.248 USER MOD Single : A 76 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.8!) USER MOD Single : A 78 SER OG : rot -55:sc= 0.163 USER MOD Single : A 84 ASN : amide:sc= -2.84! C(o=-2.8!,f=-5.4!) USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.0866 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl 138:sc= -3.33! (180deg=-4.51!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= -2.97! (180deg=-3.34!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0542) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -9.71! C(o=-9.7!,f=-8.6!) USER MOD Single : A 104 THR OG1 : rot 34:sc= -0.212 USER MOD Single : A 106 MET CE :methyl 171:sc= 0 (180deg=-0.196) USER MOD Single : A 108 THR OG1 : rot -112:sc= 0.0348 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= 0.0472 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 71:sc= 0.776 USER MOD Single : A 127 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.026) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-1.7!) USER MOD Single : A 134 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 141 SER OG : rot 87:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 -0.769 6.096 -11.137 1.00 0.00 N ATOM 365 CA SER A 27 0.055 7.291 -11.272 1.00 0.00 C ATOM 366 C SER A 27 1.255 7.233 -10.332 1.00 0.00 C ATOM 367 O SER A 27 1.225 6.546 -9.312 1.00 0.00 O ATOM 368 CB SER A 27 -0.775 8.544 -10.982 1.00 0.00 C ATOM 369 OG SER A 27 -0.299 9.654 -11.722 1.00 0.00 O ATOM 0 HA SER A 27 0.421 7.336 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.820 8.358 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.737 8.770 -9.916 1.00 0.00 H new ATOM 0 HG SER A 27 -0.847 10.441 -11.520 1.00 0.00 H new ATOM 375 N ASN A 28 2.310 7.961 -10.682 1.00 0.00 N ATOM 376 CA ASN A 28 3.521 7.993 -9.871 1.00 0.00 C ATOM 377 C ASN A 28 3.749 9.385 -9.288 1.00 0.00 C ATOM 378 O ASN A 28 4.488 10.192 -9.851 1.00 0.00 O ATOM 379 CB ASN A 28 4.732 7.574 -10.708 1.00 0.00 C ATOM 380 CG ASN A 28 6.036 7.712 -9.947 1.00 0.00 C ATOM 381 OD1 ASN A 28 6.869 8.560 -10.269 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.219 6.877 -8.931 1.00 0.00 N ATOM 0 H ASN A 28 2.351 8.537 -11.523 1.00 0.00 H new ATOM 0 HA ASN A 28 3.396 7.290 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.609 6.539 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.775 8.184 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.077 6.923 -8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.501 6.190 -8.700 1.00 0.00 H new ATOM 389 N VAL A 29 3.109 9.658 -8.155 1.00 0.00 N ATOM 390 CA VAL A 29 3.244 10.950 -7.493 1.00 0.00 C ATOM 391 C VAL A 29 4.702 11.388 -7.433 1.00 0.00 C ATOM 392 O VAL A 29 5.078 12.413 -8.003 1.00 0.00 O ATOM 393 CB VAL A 29 2.670 10.911 -6.064 1.00 0.00 C ATOM 394 CG1 VAL A 29 2.952 12.218 -5.340 1.00 0.00 C ATOM 395 CG2 VAL A 29 1.177 10.620 -6.097 1.00 0.00 C ATOM 0 H VAL A 29 2.492 9.002 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 29 2.677 11.669 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 29 3.161 10.107 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.539 12.172 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.029 12.378 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.490 13.042 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.788 10.596 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.667 11.400 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.005 9.655 -6.574 1.00 0.00 H new ATOM 405 N LEU A 30 5.521 10.606 -6.738 1.00 0.00 N ATOM 406 CA LEU A 30 6.940 10.911 -6.603 1.00 0.00 C ATOM 407 C LEU A 30 7.751 9.641 -6.366 1.00 0.00 C ATOM 408 O LEU A 30 7.340 8.764 -5.606 1.00 0.00 O ATOM 409 CB LEU A 30 7.163 11.895 -5.453 1.00 0.00 C ATOM 410 CG LEU A 30 6.834 11.375 -4.053 1.00 0.00 C ATOM 411 CD1 LEU A 30 8.043 10.685 -3.441 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.358 12.512 -3.161 1.00 0.00 C ATOM 0 H LEU A 30 5.226 9.755 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 30 7.278 11.367 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.207 12.209 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.561 12.784 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 30 6.030 10.644 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.789 10.322 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.339 9.845 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.869 11.393 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.128 12.124 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.141 13.266 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.463 12.962 -3.591 1.00 0.00 H new ATOM 424 N GLN A 31 8.905 9.552 -7.019 1.00 0.00 N ATOM 425 CA GLN A 31 9.774 8.389 -6.878 1.00 0.00 C ATOM 426 C GLN A 31 11.166 8.804 -6.411 1.00 0.00 C ATOM 427 O GLN A 31 11.829 9.618 -7.051 1.00 0.00 O ATOM 428 CB GLN A 31 9.872 7.635 -8.205 1.00 0.00 C ATOM 429 CG GLN A 31 10.595 6.302 -8.095 1.00 0.00 C ATOM 430 CD GLN A 31 10.505 5.483 -9.367 1.00 0.00 C ATOM 431 OE1 GLN A 31 10.985 5.900 -10.422 1.00 0.00 O ATOM 432 NE2 GLN A 31 9.891 4.309 -9.275 1.00 0.00 N ATOM 0 H GLN A 31 9.260 10.270 -7.650 1.00 0.00 H new ATOM 0 HA GLN A 31 9.339 7.731 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.867 7.463 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.390 8.261 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.643 6.480 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.172 5.731 -7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.508 4.003 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.803 3.714 -10.099 1.00 0.00 H new ATOM 441 N MET A 32 11.602 8.237 -5.291 1.00 0.00 N ATOM 442 CA MET A 32 12.915 8.547 -4.738 1.00 0.00 C ATOM 443 C MET A 32 13.415 7.410 -3.852 1.00 0.00 C ATOM 444 O MET A 32 12.709 6.959 -2.950 1.00 0.00 O ATOM 445 CB MET A 32 12.860 9.848 -3.936 1.00 0.00 C ATOM 446 CG MET A 32 12.274 9.679 -2.544 1.00 0.00 C ATOM 447 SD MET A 32 13.518 9.237 -1.316 1.00 0.00 S ATOM 448 CE MET A 32 12.693 9.728 0.195 1.00 0.00 C ATOM 0 H MET A 32 11.065 7.560 -4.749 1.00 0.00 H new ATOM 0 HA MET A 32 13.611 8.669 -5.568 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.867 10.255 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.266 10.579 -4.485 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.787 10.607 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.504 8.908 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.435 10.044 0.928 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.013 10.554 -0.013 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.128 8.885 0.591 1.00 0.00 H new ATOM 458 N GLN A 33 14.635 6.953 -4.116 1.00 0.00 N ATOM 459 CA GLN A 33 15.227 5.868 -3.342 1.00 0.00 C ATOM 460 C GLN A 33 15.232 6.201 -1.854 1.00 0.00 C ATOM 461 O GLN A 33 15.572 7.316 -1.458 1.00 0.00 O ATOM 462 CB GLN A 33 16.654 5.593 -3.820 1.00 0.00 C ATOM 463 CG GLN A 33 16.723 5.006 -5.220 1.00 0.00 C ATOM 464 CD GLN A 33 18.084 4.420 -5.541 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.107 4.885 -5.037 1.00 0.00 O ATOM 466 NE2 GLN A 33 18.104 3.393 -6.382 1.00 0.00 N ATOM 0 H GLN A 33 15.232 7.317 -4.859 1.00 0.00 H new ATOM 0 HA GLN A 33 14.622 4.974 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.222 6.523 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.136 4.907 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.964 4.230 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.485 5.782 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.232 3.040 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.991 2.957 -6.634 1.00 0.00 H new ATOM 475 N CYS A 34 14.851 5.227 -1.033 1.00 0.00 N ATOM 476 CA CYS A 34 14.811 5.417 0.412 1.00 0.00 C ATOM 477 C CYS A 34 15.047 4.098 1.141 1.00 0.00 C ATOM 478 O CYS A 34 15.131 3.038 0.519 1.00 0.00 O ATOM 479 CB CYS A 34 13.466 6.013 0.831 1.00 0.00 C ATOM 480 SG CYS A 34 13.554 7.082 2.286 1.00 0.00 S ATOM 0 H CYS A 34 14.566 4.298 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 34 15.608 6.109 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.059 6.585 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.767 5.201 1.032 1.00 0.00 H new ATOM 0 HG CYS A 34 14.782 7.139 2.709 1.00 0.00 H new ATOM 486 N LYS A 35 15.155 4.169 2.462 1.00 0.00 N ATOM 487 CA LYS A 35 15.382 2.982 3.278 1.00 0.00 C ATOM 488 C LYS A 35 14.185 2.706 4.184 1.00 0.00 C ATOM 489 O LYS A 35 13.803 3.549 4.997 1.00 0.00 O ATOM 490 CB LYS A 35 16.645 3.152 4.124 1.00 0.00 C ATOM 491 CG LYS A 35 17.925 2.811 3.380 1.00 0.00 C ATOM 492 CD LYS A 35 19.080 2.573 4.338 1.00 0.00 C ATOM 493 CE LYS A 35 20.414 2.543 3.607 1.00 0.00 C ATOM 494 NZ LYS A 35 20.723 1.187 3.075 1.00 0.00 N ATOM 0 H LYS A 35 15.089 5.038 2.992 1.00 0.00 H new ATOM 0 HA LYS A 35 15.512 2.132 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.702 4.183 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.568 2.519 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.767 1.921 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.178 3.623 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.095 3.359 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.930 1.629 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.395 3.260 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.207 2.857 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.341 1.273 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.205 0.628 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.839 0.712 2.802 1.00 0.00 H new ATOM 508 N LEU A 36 13.599 1.524 4.038 1.00 0.00 N ATOM 509 CA LEU A 36 12.446 1.136 4.844 1.00 0.00 C ATOM 510 C LEU A 36 12.853 0.160 5.942 1.00 0.00 C ATOM 511 O LEU A 36 13.287 -0.959 5.663 1.00 0.00 O ATOM 512 CB LEU A 36 11.369 0.507 3.958 1.00 0.00 C ATOM 513 CG LEU A 36 10.139 -0.039 4.685 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.139 1.074 4.953 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.494 -1.155 3.876 1.00 0.00 C ATOM 0 H LEU A 36 13.903 0.817 3.369 1.00 0.00 H new ATOM 0 HA LEU A 36 12.043 2.033 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.038 1.254 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.822 -0.306 3.391 1.00 0.00 H new ATOM 0 HG LEU A 36 10.459 -0.449 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.271 0.666 5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.605 1.840 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.823 1.515 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.620 -1.532 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.188 -0.769 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.211 -1.964 3.736 1.00 0.00 H new ATOM 527 N PHE A 37 12.708 0.589 7.192 1.00 0.00 N ATOM 528 CA PHE A 37 13.060 -0.249 8.333 1.00 0.00 C ATOM 529 C PHE A 37 11.811 -0.686 9.091 1.00 0.00 C ATOM 530 O PHE A 37 10.736 -0.110 8.925 1.00 0.00 O ATOM 531 CB PHE A 37 14.004 0.503 9.273 1.00 0.00 C ATOM 532 CG PHE A 37 15.280 0.943 8.614 1.00 0.00 C ATOM 533 CD1 PHE A 37 16.253 0.019 8.272 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.507 2.282 8.339 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.429 0.420 7.666 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.680 2.689 7.732 1.00 0.00 C ATOM 537 CZ PHE A 37 17.643 1.758 7.396 1.00 0.00 C ATOM 0 H PHE A 37 12.350 1.511 7.440 1.00 0.00 H new ATOM 0 HA PHE A 37 13.566 -1.138 7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.489 1.378 9.669 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.245 -0.137 10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 37 16.091 -1.028 8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.759 3.016 8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 37 18.179 -0.311 7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.844 3.735 7.520 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.561 2.075 6.923 1.00 0.00 H new ATOM 547 N VAL A 38 11.960 -1.710 9.926 1.00 0.00 N ATOM 548 CA VAL A 38 10.845 -2.226 10.712 1.00 0.00 C ATOM 549 C VAL A 38 11.180 -2.237 12.199 1.00 0.00 C ATOM 550 O VAL A 38 12.342 -2.366 12.584 1.00 0.00 O ATOM 551 CB VAL A 38 10.461 -3.651 10.272 1.00 0.00 C ATOM 552 CG1 VAL A 38 9.737 -4.378 11.395 1.00 0.00 C ATOM 553 CG2 VAL A 38 9.605 -3.608 9.016 1.00 0.00 C ATOM 0 H VAL A 38 12.843 -2.199 10.076 1.00 0.00 H new ATOM 0 HA VAL A 38 10.000 -1.560 10.538 1.00 0.00 H new ATOM 0 HB VAL A 38 11.374 -4.201 10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.473 -5.383 11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.388 -4.440 12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.831 -3.832 11.657 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.343 -4.624 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.695 -3.042 9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.163 -3.128 8.212 1.00 0.00 H new ATOM 563 N PHE A 39 10.153 -2.102 13.032 1.00 0.00 N ATOM 564 CA PHE A 39 10.337 -2.095 14.478 1.00 0.00 C ATOM 565 C PHE A 39 9.621 -3.278 15.123 1.00 0.00 C ATOM 566 O PHE A 39 8.473 -3.577 14.793 1.00 0.00 O ATOM 567 CB PHE A 39 9.820 -0.784 15.074 1.00 0.00 C ATOM 568 CG PHE A 39 9.854 -0.754 16.576 1.00 0.00 C ATOM 569 CD1 PHE A 39 10.990 -0.333 17.247 1.00 0.00 C ATOM 570 CD2 PHE A 39 8.748 -1.145 17.314 1.00 0.00 C ATOM 571 CE1 PHE A 39 11.023 -0.305 18.629 1.00 0.00 C ATOM 572 CE2 PHE A 39 8.777 -1.119 18.696 1.00 0.00 C ATOM 573 CZ PHE A 39 9.916 -0.698 19.354 1.00 0.00 C ATOM 0 H PHE A 39 9.185 -1.996 12.730 1.00 0.00 H new ATOM 0 HA PHE A 39 11.404 -2.183 14.683 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.418 0.042 14.688 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.796 -0.620 14.738 1.00 0.00 H new ATOM 0 HD1 PHE A 39 11.859 -0.023 16.685 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.854 -1.473 16.804 1.00 0.00 H new ATOM 0 HE1 PHE A 39 11.915 0.024 19.141 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.910 -1.428 19.261 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.941 -0.676 20.434 1.00 0.00 H new ATOM 583 N ASP A 40 10.306 -3.947 16.043 1.00 0.00 N ATOM 584 CA ASP A 40 9.736 -5.097 16.736 1.00 0.00 C ATOM 585 C ASP A 40 9.725 -4.873 18.245 1.00 0.00 C ATOM 586 O ASP A 40 10.717 -5.127 18.928 1.00 0.00 O ATOM 587 CB ASP A 40 10.527 -6.363 16.401 1.00 0.00 C ATOM 588 CG ASP A 40 9.915 -7.607 17.016 1.00 0.00 C ATOM 589 OD1 ASP A 40 8.760 -7.530 17.485 1.00 0.00 O ATOM 590 OD2 ASP A 40 10.591 -8.657 17.029 1.00 0.00 O ATOM 0 H ASP A 40 11.257 -3.713 16.327 1.00 0.00 H new ATOM 0 HA ASP A 40 8.707 -5.220 16.399 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.575 -6.482 15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.552 -6.252 16.755 1.00 0.00 H new ATOM 595 N LYS A 41 8.597 -4.395 18.758 1.00 0.00 N ATOM 596 CA LYS A 41 8.455 -4.136 20.186 1.00 0.00 C ATOM 597 C LYS A 41 9.249 -5.148 21.004 1.00 0.00 C ATOM 598 O LYS A 41 9.796 -4.819 22.058 1.00 0.00 O ATOM 599 CB LYS A 41 6.980 -4.182 20.589 1.00 0.00 C ATOM 600 CG LYS A 41 6.299 -5.498 20.254 1.00 0.00 C ATOM 601 CD LYS A 41 4.808 -5.314 20.029 1.00 0.00 C ATOM 602 CE LYS A 41 4.500 -4.994 18.574 1.00 0.00 C ATOM 603 NZ LYS A 41 3.040 -5.053 18.291 1.00 0.00 N ATOM 0 H LYS A 41 7.767 -4.179 18.206 1.00 0.00 H new ATOM 0 HA LYS A 41 8.850 -3.141 20.391 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.899 -4.003 21.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.450 -3.371 20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.752 -5.926 19.360 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.460 -6.209 21.065 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.280 -6.221 20.323 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.439 -4.510 20.666 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.877 -4.000 18.333 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.024 -5.699 17.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.871 -4.829 17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.685 -6.009 18.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.542 -4.363 18.889 1.00 0.00 H new ATOM 617 N THR A 42 9.312 -6.381 20.512 1.00 0.00 N ATOM 618 CA THR A 42 10.041 -7.441 21.196 1.00 0.00 C ATOM 619 C THR A 42 11.498 -7.052 21.421 1.00 0.00 C ATOM 620 O THR A 42 12.016 -7.161 22.532 1.00 0.00 O ATOM 621 CB THR A 42 9.990 -8.761 20.404 1.00 0.00 C ATOM 622 OG1 THR A 42 8.628 -9.134 20.161 1.00 0.00 O ATOM 623 CG2 THR A 42 10.698 -9.875 21.161 1.00 0.00 C ATOM 0 H THR A 42 8.866 -6.670 19.641 1.00 0.00 H new ATOM 0 HA THR A 42 9.554 -7.586 22.160 1.00 0.00 H new ATOM 0 HB THR A 42 10.500 -8.608 19.453 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.325 -8.737 19.318 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.649 -10.797 20.582 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.741 -9.601 21.319 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.212 -10.026 22.125 1.00 0.00 H new ATOM 631 N SER A 43 12.154 -6.597 20.357 1.00 0.00 N ATOM 632 CA SER A 43 13.552 -6.195 20.437 1.00 0.00 C ATOM 633 C SER A 43 13.674 -4.730 20.844 1.00 0.00 C ATOM 634 O SER A 43 14.665 -4.323 21.449 1.00 0.00 O ATOM 635 CB SER A 43 14.249 -6.422 19.094 1.00 0.00 C ATOM 636 OG SER A 43 15.656 -6.474 19.250 1.00 0.00 O ATOM 0 H SER A 43 11.739 -6.498 19.431 1.00 0.00 H new ATOM 0 HA SER A 43 14.036 -6.807 21.198 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.895 -7.352 18.650 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.986 -5.620 18.405 1.00 0.00 H new ATOM 0 HG SER A 43 16.077 -6.621 18.377 1.00 0.00 H new ATOM 642 N GLN A 44 12.657 -3.942 20.506 1.00 0.00 N ATOM 643 CA GLN A 44 12.651 -2.521 20.834 1.00 0.00 C ATOM 644 C GLN A 44 13.731 -1.777 20.057 1.00 0.00 C ATOM 645 O GLN A 44 14.343 -0.839 20.569 1.00 0.00 O ATOM 646 CB GLN A 44 12.857 -2.323 22.336 1.00 0.00 C ATOM 647 CG GLN A 44 11.993 -3.233 23.194 1.00 0.00 C ATOM 648 CD GLN A 44 10.654 -2.613 23.540 1.00 0.00 C ATOM 649 OE1 GLN A 44 10.342 -2.391 24.710 1.00 0.00 O ATOM 650 NE2 GLN A 44 9.853 -2.328 22.519 1.00 0.00 N ATOM 0 H GLN A 44 11.828 -4.263 20.006 1.00 0.00 H new ATOM 0 HA GLN A 44 11.681 -2.113 20.550 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.905 -2.499 22.577 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.641 -1.285 22.590 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.828 -4.173 22.667 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.527 -3.472 24.114 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.152 -2.529 21.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.939 -1.908 22.689 1.00 0.00 H new ATOM 659 N SER A 45 13.963 -2.203 18.820 1.00 0.00 N ATOM 660 CA SER A 45 14.975 -1.579 17.973 1.00 0.00 C ATOM 661 C SER A 45 14.548 -1.604 16.509 1.00 0.00 C ATOM 662 O SER A 45 13.493 -2.139 16.167 1.00 0.00 O ATOM 663 CB SER A 45 16.317 -2.294 18.137 1.00 0.00 C ATOM 664 OG SER A 45 17.399 -1.407 17.909 1.00 0.00 O ATOM 0 H SER A 45 13.465 -2.977 18.381 1.00 0.00 H new ATOM 0 HA SER A 45 15.084 -0.540 18.284 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.390 -2.711 19.141 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.375 -3.130 17.440 1.00 0.00 H new ATOM 0 HG SER A 45 18.245 -1.888 18.022 1.00 0.00 H new ATOM 670 N TRP A 46 15.374 -1.020 15.650 1.00 0.00 N ATOM 671 CA TRP A 46 15.083 -0.972 14.221 1.00 0.00 C ATOM 672 C TRP A 46 15.740 -2.140 13.494 1.00 0.00 C ATOM 673 O TRP A 46 16.964 -2.207 13.383 1.00 0.00 O ATOM 674 CB TRP A 46 15.563 0.351 13.625 1.00 0.00 C ATOM 675 CG TRP A 46 14.719 1.524 14.024 1.00 0.00 C ATOM 676 CD1 TRP A 46 15.117 2.611 14.748 1.00 0.00 C ATOM 677 CD2 TRP A 46 13.334 1.724 13.723 1.00 0.00 C ATOM 678 NE1 TRP A 46 14.062 3.476 14.915 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.957 2.955 14.295 1.00 0.00 C ATOM 680 CE3 TRP A 46 12.376 0.986 13.023 1.00 0.00 C ATOM 681 CZ2 TRP A 46 11.664 3.460 14.190 1.00 0.00 C ATOM 682 CZ3 TRP A 46 11.093 1.488 12.920 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.746 2.716 13.499 1.00 0.00 C ATOM 0 H TRP A 46 16.251 -0.573 15.917 1.00 0.00 H new ATOM 0 HA TRP A 46 14.003 -1.048 14.092 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.592 0.530 13.938 1.00 0.00 H new ATOM 0 HB3 TRP A 46 15.570 0.270 12.538 1.00 0.00 H new ATOM 0 HD1 TRP A 46 16.114 2.768 15.133 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.096 4.362 15.419 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.634 0.040 12.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.395 4.405 14.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.344 0.924 12.384 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.735 3.082 13.398 1.00 0.00 H new ATOM 694 N VAL A 47 14.919 -3.061 12.997 1.00 0.00 N ATOM 695 CA VAL A 47 15.420 -4.225 12.279 1.00 0.00 C ATOM 696 C VAL A 47 15.245 -4.061 10.773 1.00 0.00 C ATOM 697 O VAL A 47 14.144 -3.796 10.293 1.00 0.00 O ATOM 698 CB VAL A 47 14.707 -5.514 12.729 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.199 -6.707 11.924 1.00 0.00 C ATOM 700 CG2 VAL A 47 14.913 -5.743 14.219 1.00 0.00 C ATOM 0 H VAL A 47 13.903 -3.022 13.079 1.00 0.00 H new ATOM 0 HA VAL A 47 16.482 -4.305 12.512 1.00 0.00 H new ATOM 0 HB VAL A 47 13.638 -5.400 12.546 1.00 0.00 H new ATOM 0 HG11 VAL A 47 14.684 -7.608 12.257 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.994 -6.542 10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.272 -6.828 12.071 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.403 -6.658 14.520 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.979 -5.836 14.429 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.505 -4.900 14.776 1.00 0.00 H new ATOM 710 N GLU A 48 16.339 -4.218 10.035 1.00 0.00 N ATOM 711 CA GLU A 48 16.304 -4.086 8.583 1.00 0.00 C ATOM 712 C GLU A 48 15.225 -4.980 7.980 1.00 0.00 C ATOM 713 O GLU A 48 15.173 -6.180 8.254 1.00 0.00 O ATOM 714 CB GLU A 48 17.667 -4.440 7.984 1.00 0.00 C ATOM 715 CG GLU A 48 17.697 -4.391 6.466 1.00 0.00 C ATOM 716 CD GLU A 48 19.103 -4.491 5.905 1.00 0.00 C ATOM 717 OE1 GLU A 48 19.899 -3.555 6.130 1.00 0.00 O ATOM 718 OE2 GLU A 48 19.405 -5.505 5.244 1.00 0.00 O ATOM 0 H GLU A 48 17.259 -4.436 10.418 1.00 0.00 H new ATOM 0 HA GLU A 48 16.067 -3.049 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.416 -3.752 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.950 -5.440 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.093 -5.206 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.240 -3.461 6.127 1.00 0.00 H new ATOM 725 N ARG A 49 14.364 -4.386 7.160 1.00 0.00 N ATOM 726 CA ARG A 49 13.284 -5.127 6.520 1.00 0.00 C ATOM 727 C ARG A 49 13.501 -5.212 5.012 1.00 0.00 C ATOM 728 O ARG A 49 13.417 -6.287 4.421 1.00 0.00 O ATOM 729 CB ARG A 49 11.937 -4.464 6.815 1.00 0.00 C ATOM 730 CG ARG A 49 10.786 -5.035 6.002 1.00 0.00 C ATOM 731 CD ARG A 49 10.743 -6.553 6.086 1.00 0.00 C ATOM 732 NE ARG A 49 10.309 -7.016 7.401 1.00 0.00 N ATOM 733 CZ ARG A 49 10.575 -8.227 7.878 1.00 0.00 C ATOM 734 NH1 ARG A 49 11.269 -9.091 7.151 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.146 -8.575 9.085 1.00 0.00 N ATOM 0 H ARG A 49 14.393 -3.394 6.923 1.00 0.00 H new ATOM 0 HA ARG A 49 13.281 -6.138 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.712 -4.575 7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.016 -3.395 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.844 -4.623 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.888 -4.730 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.066 -6.939 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.732 -6.956 5.868 1.00 0.00 H new ATOM 0 HE ARG A 49 9.772 -6.375 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.600 -8.827 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.472 -10.020 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.612 -7.912 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.351 -9.505 9.450 1.00 0.00 H new ATOM 749 N GLY A 50 13.782 -4.067 4.394 1.00 0.00 N ATOM 750 CA GLY A 50 14.006 -4.034 2.960 1.00 0.00 C ATOM 751 C GLY A 50 14.169 -2.623 2.432 1.00 0.00 C ATOM 752 O GLY A 50 13.291 -1.780 2.612 1.00 0.00 O ATOM 0 H GLY A 50 13.858 -3.163 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.898 -4.613 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.169 -4.514 2.453 1.00 0.00 H new ATOM 756 N ARG A 51 15.298 -2.364 1.781 1.00 0.00 N ATOM 757 CA ARG A 51 15.575 -1.044 1.227 1.00 0.00 C ATOM 758 C ARG A 51 15.719 -1.110 -0.290 1.00 0.00 C ATOM 759 O ARG A 51 15.985 -2.171 -0.854 1.00 0.00 O ATOM 760 CB ARG A 51 16.849 -0.465 1.846 1.00 0.00 C ATOM 761 CG ARG A 51 18.118 -1.175 1.405 1.00 0.00 C ATOM 762 CD ARG A 51 18.718 -0.525 0.168 1.00 0.00 C ATOM 763 NE ARG A 51 19.030 0.885 0.386 1.00 0.00 N ATOM 764 CZ ARG A 51 19.819 1.596 -0.411 1.00 0.00 C ATOM 765 NH1 ARG A 51 20.372 1.030 -1.477 1.00 0.00 N ATOM 766 NH2 ARG A 51 20.055 2.874 -0.146 1.00 0.00 N ATOM 0 H ARG A 51 16.036 -3.051 1.624 1.00 0.00 H new ATOM 0 HA ARG A 51 14.734 -0.393 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.923 0.590 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 51 16.772 -0.518 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.846 -1.158 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.897 -2.222 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.626 -1.057 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 51 18.020 -0.617 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 51 18.619 1.350 1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 51 20.191 0.048 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 51 20.978 1.577 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.630 3.312 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.661 3.419 -0.759 1.00 0.00 H new ATOM 780 N GLY A 52 15.542 0.033 -0.946 1.00 0.00 N ATOM 781 CA GLY A 52 15.654 0.083 -2.392 1.00 0.00 C ATOM 782 C GLY A 52 15.059 1.349 -2.977 1.00 0.00 C ATOM 783 O GLY A 52 15.640 2.429 -2.859 1.00 0.00 O ATOM 0 H GLY A 52 15.323 0.925 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.705 0.015 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.152 -0.783 -2.822 1.00 0.00 H new ATOM 787 N LEU A 53 13.899 1.217 -3.611 1.00 0.00 N ATOM 788 CA LEU A 53 13.226 2.360 -4.218 1.00 0.00 C ATOM 789 C LEU A 53 11.839 2.559 -3.613 1.00 0.00 C ATOM 790 O LEU A 53 11.102 1.597 -3.392 1.00 0.00 O ATOM 791 CB LEU A 53 13.111 2.164 -5.731 1.00 0.00 C ATOM 792 CG LEU A 53 12.216 3.160 -6.471 1.00 0.00 C ATOM 793 CD1 LEU A 53 12.670 4.586 -6.203 1.00 0.00 C ATOM 794 CD2 LEU A 53 12.217 2.870 -7.964 1.00 0.00 C ATOM 0 H LEU A 53 13.405 0.331 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 53 13.822 3.250 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.111 2.216 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.735 1.158 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 53 11.197 3.049 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.022 5.281 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.617 4.790 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.697 4.711 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.575 3.588 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.233 2.953 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.843 1.861 -8.139 1.00 0.00 H new ATOM 806 N LEU A 54 11.490 3.813 -3.348 1.00 0.00 N ATOM 807 CA LEU A 54 10.190 4.140 -2.771 1.00 0.00 C ATOM 808 C LEU A 54 9.413 5.086 -3.680 1.00 0.00 C ATOM 809 O LEU A 54 9.984 6.001 -4.274 1.00 0.00 O ATOM 810 CB LEU A 54 10.369 4.773 -1.389 1.00 0.00 C ATOM 811 CG LEU A 54 9.087 5.019 -0.593 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.752 3.810 0.266 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.225 6.266 0.268 1.00 0.00 C ATOM 0 H LEU A 54 12.089 4.620 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 54 9.621 3.216 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.022 4.130 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.885 5.725 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 54 8.270 5.176 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.837 4.003 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.610 2.938 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.569 3.620 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.303 6.426 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.054 6.138 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.416 7.129 -0.370 1.00 0.00 H new ATOM 825 N ARG A 55 8.107 4.861 -3.782 1.00 0.00 N ATOM 826 CA ARG A 55 7.252 5.693 -4.618 1.00 0.00 C ATOM 827 C ARG A 55 5.827 5.728 -4.072 1.00 0.00 C ATOM 828 O ARG A 55 5.421 4.849 -3.310 1.00 0.00 O ATOM 829 CB ARG A 55 7.245 5.174 -6.056 1.00 0.00 C ATOM 830 CG ARG A 55 6.864 3.707 -6.173 1.00 0.00 C ATOM 831 CD ARG A 55 8.091 2.810 -6.158 1.00 0.00 C ATOM 832 NE ARG A 55 7.780 1.464 -5.683 1.00 0.00 N ATOM 833 CZ ARG A 55 7.013 0.608 -6.349 1.00 0.00 C ATOM 834 NH1 ARG A 55 6.483 0.956 -7.514 1.00 0.00 N ATOM 835 NH2 ARG A 55 6.776 -0.598 -5.851 1.00 0.00 N ATOM 0 H ARG A 55 7.619 4.109 -3.296 1.00 0.00 H new ATOM 0 HA ARG A 55 7.653 6.707 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.547 5.770 -6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.234 5.319 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.203 3.435 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.306 3.547 -7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.510 2.752 -7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.855 3.252 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 55 8.174 1.165 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.664 1.883 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.894 0.297 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.183 -0.869 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.187 -1.255 -6.363 1.00 0.00 H new ATOM 849 N LEU A 56 5.073 6.748 -4.466 1.00 0.00 N ATOM 850 CA LEU A 56 3.693 6.898 -4.016 1.00 0.00 C ATOM 851 C LEU A 56 2.723 6.789 -5.189 1.00 0.00 C ATOM 852 O LEU A 56 2.637 7.691 -6.021 1.00 0.00 O ATOM 853 CB LEU A 56 3.508 8.243 -3.310 1.00 0.00 C ATOM 854 CG LEU A 56 2.073 8.759 -3.215 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.296 7.984 -2.162 1.00 0.00 C ATOM 856 CD2 LEU A 56 2.061 10.247 -2.899 1.00 0.00 C ATOM 0 H LEU A 56 5.393 7.483 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 56 3.477 6.093 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.910 8.159 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.108 8.990 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 56 1.589 8.608 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.276 8.365 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.275 6.928 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.779 8.103 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.031 10.597 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.563 10.421 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.581 10.791 -3.688 1.00 0.00 H new ATOM 868 N ASN A 57 1.993 5.680 -5.246 1.00 0.00 N ATOM 869 CA ASN A 57 1.028 5.454 -6.316 1.00 0.00 C ATOM 870 C ASN A 57 -0.359 5.942 -5.909 1.00 0.00 C ATOM 871 O ASN A 57 -0.689 5.987 -4.724 1.00 0.00 O ATOM 872 CB ASN A 57 0.973 3.969 -6.676 1.00 0.00 C ATOM 873 CG ASN A 57 2.262 3.479 -7.308 1.00 0.00 C ATOM 874 OD1 ASN A 57 3.078 4.274 -7.776 1.00 0.00 O ATOM 875 ND2 ASN A 57 2.450 2.165 -7.325 1.00 0.00 N ATOM 0 H ASN A 57 2.051 4.924 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 57 1.352 6.021 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.768 3.387 -5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.145 3.795 -7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.298 1.776 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.746 1.544 -6.925 1.00 0.00 H new ATOM 882 N ASP A 58 -1.167 6.305 -6.899 1.00 0.00 N ATOM 883 CA ASP A 58 -2.519 6.787 -6.644 1.00 0.00 C ATOM 884 C ASP A 58 -3.555 5.850 -7.257 1.00 0.00 C ATOM 885 O ASP A 58 -3.396 5.386 -8.386 1.00 0.00 O ATOM 886 CB ASP A 58 -2.694 8.198 -7.208 1.00 0.00 C ATOM 887 CG ASP A 58 -3.168 8.192 -8.648 1.00 0.00 C ATOM 888 OD1 ASP A 58 -2.627 7.399 -9.446 1.00 0.00 O ATOM 889 OD2 ASP A 58 -4.077 8.982 -8.977 1.00 0.00 O ATOM 0 H ASP A 58 -0.909 6.275 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.672 6.813 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.411 8.745 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.746 8.732 -7.143 1.00 0.00 H new ATOM 894 N MET A 59 -4.615 5.574 -6.504 1.00 0.00 N ATOM 895 CA MET A 59 -5.676 4.691 -6.973 1.00 0.00 C ATOM 896 C MET A 59 -7.017 5.079 -6.357 1.00 0.00 C ATOM 897 O MET A 59 -7.076 5.557 -5.225 1.00 0.00 O ATOM 898 CB MET A 59 -5.347 3.237 -6.634 1.00 0.00 C ATOM 899 CG MET A 59 -5.536 2.898 -5.163 1.00 0.00 C ATOM 900 SD MET A 59 -5.007 1.222 -4.763 1.00 0.00 S ATOM 901 CE MET A 59 -5.183 1.228 -2.981 1.00 0.00 C ATOM 0 H MET A 59 -4.762 5.949 -5.567 1.00 0.00 H new ATOM 0 HA MET A 59 -5.749 4.795 -8.056 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.978 2.581 -7.234 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.314 3.031 -6.916 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.973 3.607 -4.556 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.587 3.016 -4.899 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.859 0.268 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.570 2.024 -2.558 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.228 1.396 -2.719 1.00 0.00 H new ATOM 911 N ALA A 60 -8.092 4.868 -7.110 1.00 0.00 N ATOM 912 CA ALA A 60 -9.432 5.193 -6.637 1.00 0.00 C ATOM 913 C ALA A 60 -9.878 4.228 -5.545 1.00 0.00 C ATOM 914 O ALA A 60 -9.218 3.222 -5.285 1.00 0.00 O ATOM 915 CB ALA A 60 -10.419 5.177 -7.795 1.00 0.00 C ATOM 0 H ALA A 60 -8.061 4.473 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.406 6.196 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.416 5.421 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.117 5.912 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.433 4.186 -8.248 1.00 0.00 H new ATOM 921 N SER A 61 -11.002 4.541 -4.907 1.00 0.00 N ATOM 922 CA SER A 61 -11.534 3.702 -3.840 1.00 0.00 C ATOM 923 C SER A 61 -12.535 2.691 -4.391 1.00 0.00 C ATOM 924 O SER A 61 -12.999 2.812 -5.524 1.00 0.00 O ATOM 925 CB SER A 61 -12.201 4.567 -2.769 1.00 0.00 C ATOM 926 OG SER A 61 -12.081 3.973 -1.487 1.00 0.00 O ATOM 0 H SER A 61 -11.561 5.369 -5.111 1.00 0.00 H new ATOM 0 HA SER A 61 -10.704 3.156 -3.392 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.744 5.556 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.254 4.705 -3.012 1.00 0.00 H new ATOM 0 HG SER A 61 -12.368 4.612 -0.802 1.00 0.00 H new ATOM 932 N THR A 62 -12.865 1.691 -3.578 1.00 0.00 N ATOM 933 CA THR A 62 -13.810 0.658 -3.982 1.00 0.00 C ATOM 934 C THR A 62 -15.193 0.919 -3.399 1.00 0.00 C ATOM 935 O THR A 62 -16.198 0.859 -4.108 1.00 0.00 O ATOM 936 CB THR A 62 -13.334 -0.740 -3.544 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.350 -1.711 -3.819 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.000 -0.756 -2.060 1.00 0.00 C ATOM 0 H THR A 62 -12.491 1.575 -2.636 1.00 0.00 H new ATOM 0 HA THR A 62 -13.867 0.689 -5.070 1.00 0.00 H new ATOM 0 HB THR A 62 -12.434 -0.987 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.040 -2.597 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.666 -1.753 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.207 -0.036 -1.858 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.887 -0.491 -1.485 1.00 0.00 H new ATOM 946 N ASP A 63 -15.238 1.209 -2.103 1.00 0.00 N ATOM 947 CA ASP A 63 -16.500 1.482 -1.425 1.00 0.00 C ATOM 948 C ASP A 63 -16.815 2.975 -1.441 1.00 0.00 C ATOM 949 O ASP A 63 -17.954 3.381 -1.213 1.00 0.00 O ATOM 950 CB ASP A 63 -16.447 0.975 0.018 1.00 0.00 C ATOM 951 CG ASP A 63 -16.690 -0.518 0.116 1.00 0.00 C ATOM 952 OD1 ASP A 63 -15.719 -1.289 -0.034 1.00 0.00 O ATOM 953 OD2 ASP A 63 -17.851 -0.917 0.344 1.00 0.00 O ATOM 0 H ASP A 63 -14.416 1.261 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.292 0.957 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.473 1.211 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.193 1.502 0.613 1.00 0.00 H new ATOM 958 N ASP A 64 -15.798 3.785 -1.711 1.00 0.00 N ATOM 959 CA ASP A 64 -15.966 5.233 -1.757 1.00 0.00 C ATOM 960 C ASP A 64 -15.675 5.769 -3.156 1.00 0.00 C ATOM 961 O ASP A 64 -15.875 6.951 -3.432 1.00 0.00 O ATOM 962 CB ASP A 64 -15.046 5.907 -0.738 1.00 0.00 C ATOM 963 CG ASP A 64 -15.509 7.305 -0.377 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.885 8.061 -1.298 1.00 0.00 O ATOM 965 OD2 ASP A 64 -15.494 7.645 0.824 1.00 0.00 O ATOM 0 H ASP A 64 -14.849 3.464 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 64 -17.002 5.462 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.000 5.298 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.035 5.955 -1.142 1.00 0.00 H new ATOM 970 N GLY A 65 -15.199 4.891 -4.034 1.00 0.00 N ATOM 971 CA GLY A 65 -14.888 5.296 -5.393 1.00 0.00 C ATOM 972 C GLY A 65 -14.175 6.633 -5.451 1.00 0.00 C ATOM 973 O GLY A 65 -14.176 7.302 -6.484 1.00 0.00 O ATOM 0 H GLY A 65 -15.023 3.907 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.265 4.535 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.810 5.354 -5.972 1.00 0.00 H new ATOM 977 N THR A 66 -13.565 7.024 -4.336 1.00 0.00 N ATOM 978 CA THR A 66 -12.847 8.291 -4.263 1.00 0.00 C ATOM 979 C THR A 66 -11.353 8.091 -4.487 1.00 0.00 C ATOM 980 O THR A 66 -10.879 6.960 -4.603 1.00 0.00 O ATOM 981 CB THR A 66 -13.063 8.981 -2.903 1.00 0.00 C ATOM 982 OG1 THR A 66 -13.259 7.998 -1.880 1.00 0.00 O ATOM 983 CG2 THR A 66 -14.263 9.914 -2.952 1.00 0.00 C ATOM 0 H THR A 66 -13.554 6.482 -3.472 1.00 0.00 H new ATOM 0 HA THR A 66 -13.247 8.927 -5.053 1.00 0.00 H new ATOM 0 HB THR A 66 -12.174 9.570 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.561 8.091 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.394 10.389 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.098 10.679 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.158 9.343 -3.201 1.00 0.00 H new ATOM 991 N LEU A 67 -10.615 9.194 -4.547 1.00 0.00 N ATOM 992 CA LEU A 67 -9.173 9.139 -4.758 1.00 0.00 C ATOM 993 C LEU A 67 -8.477 8.457 -3.584 1.00 0.00 C ATOM 994 O LEU A 67 -8.244 9.073 -2.544 1.00 0.00 O ATOM 995 CB LEU A 67 -8.612 10.549 -4.948 1.00 0.00 C ATOM 996 CG LEU A 67 -7.157 10.635 -5.412 1.00 0.00 C ATOM 997 CD1 LEU A 67 -6.221 10.090 -4.344 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.970 9.883 -6.721 1.00 0.00 C ATOM 0 H LEU A 67 -10.992 10.137 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.984 8.555 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.235 11.072 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.704 11.085 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.911 11.684 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.191 10.160 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.335 10.672 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.466 9.047 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.929 9.955 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.235 8.835 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.612 10.320 -7.486 1.00 0.00 H new ATOM 1010 N GLN A 68 -8.147 7.180 -3.759 1.00 0.00 N ATOM 1011 CA GLN A 68 -7.476 6.415 -2.715 1.00 0.00 C ATOM 1012 C GLN A 68 -5.969 6.388 -2.942 1.00 0.00 C ATOM 1013 O GLN A 68 -5.479 6.836 -3.979 1.00 0.00 O ATOM 1014 CB GLN A 68 -8.024 4.987 -2.669 1.00 0.00 C ATOM 1015 CG GLN A 68 -9.141 4.795 -1.658 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.629 4.695 -0.233 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -8.099 5.661 0.316 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -8.785 3.523 0.371 1.00 0.00 N ATOM 0 H GLN A 68 -8.334 6.655 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.671 6.903 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.391 4.716 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.210 4.302 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.839 5.629 -1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.697 3.891 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.230 2.750 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.460 3.396 1.329 1.00 0.00 H new ATOM 1027 N SER A 69 -5.237 5.860 -1.966 1.00 0.00 N ATOM 1028 CA SER A 69 -3.784 5.779 -2.059 1.00 0.00 C ATOM 1029 C SER A 69 -3.267 4.514 -1.380 1.00 0.00 C ATOM 1030 O SER A 69 -3.999 3.843 -0.651 1.00 0.00 O ATOM 1031 CB SER A 69 -3.141 7.012 -1.421 1.00 0.00 C ATOM 1032 OG SER A 69 -3.759 8.203 -1.878 1.00 0.00 O ATOM 0 H SER A 69 -5.626 5.482 -1.102 1.00 0.00 H new ATOM 0 HA SER A 69 -3.513 5.742 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.224 6.949 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.078 7.036 -1.659 1.00 0.00 H new ATOM 0 HG SER A 69 -4.275 8.605 -1.148 1.00 0.00 H new ATOM 1038 N ARG A 70 -2.001 4.194 -1.626 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.384 3.009 -1.042 1.00 0.00 C ATOM 1040 C ARG A 70 0.129 3.173 -0.947 1.00 0.00 C ATOM 1041 O ARG A 70 0.739 3.877 -1.754 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.723 1.770 -1.871 1.00 0.00 C ATOM 1043 CG ARG A 70 -1.028 1.732 -3.222 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.809 0.305 -3.698 1.00 0.00 C ATOM 1045 NE ARG A 70 -2.055 -0.324 -4.130 1.00 0.00 N ATOM 1046 CZ ARG A 70 -2.108 -1.493 -4.758 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -0.992 -2.158 -5.025 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -3.279 -2.001 -5.120 1.00 0.00 N ATOM 0 H ARG A 70 -1.382 4.739 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.781 2.883 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.449 0.879 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.801 1.730 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.626 2.273 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.069 2.245 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.097 0.303 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.366 -0.282 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.932 0.161 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.090 -1.772 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.036 -3.056 -5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.140 -1.494 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.318 -2.899 -5.602 1.00 0.00 H new ATOM 1062 N LEU A 71 0.730 2.521 0.041 1.00 0.00 N ATOM 1063 CA LEU A 71 2.173 2.595 0.241 1.00 0.00 C ATOM 1064 C LEU A 71 2.882 1.455 -0.483 1.00 0.00 C ATOM 1065 O LEU A 71 2.346 0.354 -0.604 1.00 0.00 O ATOM 1066 CB LEU A 71 2.504 2.550 1.734 1.00 0.00 C ATOM 1067 CG LEU A 71 2.480 3.893 2.467 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.252 3.683 3.956 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.773 4.656 2.225 1.00 0.00 C ATOM 0 H LEU A 71 0.240 1.935 0.717 1.00 0.00 H new ATOM 0 HA LEU A 71 2.525 3.539 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.797 1.879 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.495 2.111 1.853 1.00 0.00 H new ATOM 0 HG LEU A 71 1.654 4.486 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.238 4.649 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.298 3.178 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.056 3.071 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.738 5.608 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.616 4.069 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.893 4.838 1.157 1.00 0.00 H new ATOM 1081 N VAL A 72 4.093 1.726 -0.960 1.00 0.00 N ATOM 1082 CA VAL A 72 4.878 0.723 -1.669 1.00 0.00 C ATOM 1083 C VAL A 72 6.368 0.902 -1.405 1.00 0.00 C ATOM 1084 O VAL A 72 6.831 2.010 -1.132 1.00 0.00 O ATOM 1085 CB VAL A 72 4.626 0.782 -3.187 1.00 0.00 C ATOM 1086 CG1 VAL A 72 3.215 1.273 -3.475 1.00 0.00 C ATOM 1087 CG2 VAL A 72 5.657 1.672 -3.863 1.00 0.00 C ATOM 0 H VAL A 72 4.552 2.632 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 72 4.560 -0.250 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 72 4.725 -0.224 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.055 1.308 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.494 0.592 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.084 2.271 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.464 1.702 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.592 2.680 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.655 1.272 -3.685 1.00 0.00 H new ATOM 1097 N MET A 73 7.116 -0.193 -1.488 1.00 0.00 N ATOM 1098 CA MET A 73 8.555 -0.155 -1.260 1.00 0.00 C ATOM 1099 C MET A 73 9.252 -1.299 -1.989 1.00 0.00 C ATOM 1100 O MET A 73 9.061 -2.468 -1.654 1.00 0.00 O ATOM 1101 CB MET A 73 8.858 -0.230 0.238 1.00 0.00 C ATOM 1102 CG MET A 73 10.337 -0.387 0.552 1.00 0.00 C ATOM 1103 SD MET A 73 11.276 1.121 0.242 1.00 0.00 S ATOM 1104 CE MET A 73 12.904 0.445 -0.080 1.00 0.00 C ATOM 0 H MET A 73 6.749 -1.118 -1.712 1.00 0.00 H new ATOM 0 HA MET A 73 8.935 0.788 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.486 0.674 0.721 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.312 -1.069 0.669 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.454 -0.675 1.597 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.748 -1.197 -0.050 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.649 1.003 0.488 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.929 -0.603 0.220 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.126 0.523 -1.144 1.00 0.00 H new ATOM 1114 N ARG A 74 10.060 -0.955 -2.987 1.00 0.00 N ATOM 1115 CA ARG A 74 10.782 -1.954 -3.765 1.00 0.00 C ATOM 1116 C ARG A 74 12.207 -2.120 -3.245 1.00 0.00 C ATOM 1117 O ARG A 74 12.848 -1.151 -2.835 1.00 0.00 O ATOM 1118 CB ARG A 74 10.810 -1.559 -5.242 1.00 0.00 C ATOM 1119 CG ARG A 74 9.431 -1.310 -5.832 1.00 0.00 C ATOM 1120 CD ARG A 74 9.496 -1.127 -7.340 1.00 0.00 C ATOM 1121 NE ARG A 74 9.417 -2.400 -8.050 1.00 0.00 N ATOM 1122 CZ ARG A 74 8.992 -2.518 -9.304 1.00 0.00 C ATOM 1123 NH1 ARG A 74 8.610 -1.444 -9.981 1.00 0.00 N ATOM 1124 NH2 ARG A 74 8.950 -3.711 -9.882 1.00 0.00 N ATOM 0 H ARG A 74 10.231 0.008 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 74 10.261 -2.906 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.413 -0.658 -5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.302 -2.348 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.775 -2.148 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.993 -0.423 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.679 -0.481 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.425 -0.622 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 74 9.704 -3.246 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.642 -0.525 -9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.284 -1.537 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.244 -4.539 -9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.624 -3.800 -10.844 1.00 0.00 H new ATOM 1138 N THR A 75 12.698 -3.355 -3.264 1.00 0.00 N ATOM 1139 CA THR A 75 14.046 -3.649 -2.794 1.00 0.00 C ATOM 1140 C THR A 75 15.066 -3.503 -3.918 1.00 0.00 C ATOM 1141 O THR A 75 14.773 -3.800 -5.075 1.00 0.00 O ATOM 1142 CB THR A 75 14.140 -5.073 -2.212 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.425 -5.990 -3.046 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.579 -5.119 -0.799 1.00 0.00 C ATOM 0 H THR A 75 12.182 -4.168 -3.600 1.00 0.00 H new ATOM 0 HA THR A 75 14.271 -2.927 -2.009 1.00 0.00 H new ATOM 0 HB THR A 75 15.191 -5.359 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.461 -5.865 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.656 -6.134 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.146 -4.441 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.532 -4.815 -0.813 1.00 0.00 H new ATOM 1152 N GLN A 76 16.263 -3.043 -3.568 1.00 0.00 N ATOM 1153 CA GLN A 76 17.326 -2.858 -4.550 1.00 0.00 C ATOM 1154 C GLN A 76 17.925 -4.198 -4.963 1.00 0.00 C ATOM 1155 O GLN A 76 18.504 -4.909 -4.144 1.00 0.00 O ATOM 1156 CB GLN A 76 18.419 -1.949 -3.985 1.00 0.00 C ATOM 1157 CG GLN A 76 19.013 -2.454 -2.680 1.00 0.00 C ATOM 1158 CD GLN A 76 20.206 -3.365 -2.896 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.973 -3.187 -3.843 1.00 0.00 O ATOM 1160 NE2 GLN A 76 20.369 -4.347 -2.017 1.00 0.00 N ATOM 0 H GLN A 76 16.521 -2.792 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 76 16.893 -2.387 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.215 -1.849 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.006 -0.953 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.316 -1.603 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.247 -2.991 -2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.709 -4.457 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.154 -4.991 -2.112 1.00 0.00 H new ATOM 1169 N GLY A 77 17.781 -4.537 -6.241 1.00 0.00 N ATOM 1170 CA GLY A 77 18.313 -5.791 -6.740 1.00 0.00 C ATOM 1171 C GLY A 77 17.431 -6.412 -7.805 1.00 0.00 C ATOM 1172 O GLY A 77 17.784 -6.420 -8.985 1.00 0.00 O ATOM 0 H GLY A 77 17.305 -3.965 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.309 -5.622 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.424 -6.490 -5.911 1.00 0.00 H new ATOM 1176 N SER A 78 16.282 -6.934 -7.389 1.00 0.00 N ATOM 1177 CA SER A 78 15.350 -7.565 -8.316 1.00 0.00 C ATOM 1178 C SER A 78 13.967 -6.928 -8.212 1.00 0.00 C ATOM 1179 O SER A 78 12.946 -7.605 -8.357 1.00 0.00 O ATOM 1180 CB SER A 78 15.255 -9.066 -8.035 1.00 0.00 C ATOM 1181 OG SER A 78 14.669 -9.754 -9.127 1.00 0.00 O ATOM 0 H SER A 78 15.974 -6.933 -6.417 1.00 0.00 H new ATOM 0 HA SER A 78 15.725 -7.416 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.250 -9.466 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.663 -9.234 -7.135 1.00 0.00 H new ATOM 0 HG SER A 78 13.800 -9.353 -9.338 1.00 0.00 H new ATOM 1187 N LEU A 79 13.940 -5.625 -7.960 1.00 0.00 N ATOM 1188 CA LEU A 79 12.682 -4.896 -7.838 1.00 0.00 C ATOM 1189 C LEU A 79 11.626 -5.746 -7.140 1.00 0.00 C ATOM 1190 O LEU A 79 10.489 -5.846 -7.604 1.00 0.00 O ATOM 1191 CB LEU A 79 12.180 -4.468 -9.217 1.00 0.00 C ATOM 1192 CG LEU A 79 13.065 -3.480 -9.977 1.00 0.00 C ATOM 1193 CD1 LEU A 79 12.599 -3.345 -11.419 1.00 0.00 C ATOM 1194 CD2 LEU A 79 13.066 -2.125 -9.287 1.00 0.00 C ATOM 0 H LEU A 79 14.774 -5.051 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 79 12.864 -4.007 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.057 -5.361 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.192 -4.024 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 79 14.085 -3.865 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.241 -2.638 -11.944 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.651 -4.316 -11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.571 -2.984 -11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.701 -1.435 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.049 -1.734 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.448 -2.234 -8.272 1.00 0.00 H new ATOM 1206 N ARG A 80 12.006 -6.354 -6.021 1.00 0.00 N ATOM 1207 CA ARG A 80 11.092 -7.194 -5.259 1.00 0.00 C ATOM 1208 C ARG A 80 10.290 -6.362 -4.263 1.00 0.00 C ATOM 1209 O ARG A 80 10.840 -5.510 -3.564 1.00 0.00 O ATOM 1210 CB ARG A 80 11.866 -8.288 -4.519 1.00 0.00 C ATOM 1211 CG ARG A 80 11.082 -8.928 -3.386 1.00 0.00 C ATOM 1212 CD ARG A 80 9.913 -9.748 -3.912 1.00 0.00 C ATOM 1213 NE ARG A 80 9.590 -10.867 -3.031 1.00 0.00 N ATOM 1214 CZ ARG A 80 8.966 -11.967 -3.439 1.00 0.00 C ATOM 1215 NH1 ARG A 80 8.601 -12.094 -4.707 1.00 0.00 N ATOM 1216 NH2 ARG A 80 8.707 -12.943 -2.578 1.00 0.00 N ATOM 0 H ARG A 80 12.942 -6.280 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 80 10.398 -7.659 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.156 -9.061 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.786 -7.863 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.743 -9.568 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.712 -8.153 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.039 -9.106 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.153 -10.126 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 80 9.858 -10.801 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.799 -11.346 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.122 -12.939 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.987 -12.849 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.228 -13.787 -2.893 1.00 0.00 H new ATOM 1230 N LEU A 81 8.986 -6.613 -4.203 1.00 0.00 N ATOM 1231 CA LEU A 81 8.108 -5.886 -3.294 1.00 0.00 C ATOM 1232 C LEU A 81 7.972 -6.622 -1.965 1.00 0.00 C ATOM 1233 O LEU A 81 7.885 -7.850 -1.930 1.00 0.00 O ATOM 1234 CB LEU A 81 6.729 -5.696 -3.929 1.00 0.00 C ATOM 1235 CG LEU A 81 5.957 -4.449 -3.495 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.805 -4.413 -1.983 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.654 -3.191 -3.993 1.00 0.00 C ATOM 0 H LEU A 81 8.514 -7.315 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 81 8.551 -4.908 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.851 -5.665 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.122 -6.572 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 81 4.962 -4.489 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.253 -3.519 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.262 -5.298 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.791 -4.397 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.091 -2.313 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.662 -3.145 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.709 -3.212 -5.081 1.00 0.00 H new ATOM 1249 N ILE A 82 7.950 -5.864 -0.874 1.00 0.00 N ATOM 1250 CA ILE A 82 7.821 -6.444 0.456 1.00 0.00 C ATOM 1251 C ILE A 82 6.754 -5.719 1.271 1.00 0.00 C ATOM 1252 O ILE A 82 6.122 -6.307 2.150 1.00 0.00 O ATOM 1253 CB ILE A 82 9.156 -6.397 1.223 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.504 -4.955 1.596 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.267 -7.018 0.391 1.00 0.00 C ATOM 1256 CD1 ILE A 82 10.177 -4.187 0.479 1.00 0.00 C ATOM 0 H ILE A 82 8.020 -4.846 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 82 7.526 -7.484 0.319 1.00 0.00 H new ATOM 0 HB ILE A 82 9.051 -6.975 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.592 -4.433 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.159 -4.962 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.204 -6.977 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.020 -8.057 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.375 -6.466 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.395 -3.173 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.106 -4.685 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.515 -4.149 -0.386 1.00 0.00 H new ATOM 1268 N LEU A 83 6.558 -4.440 0.972 1.00 0.00 N ATOM 1269 CA LEU A 83 5.565 -3.634 1.674 1.00 0.00 C ATOM 1270 C LEU A 83 4.499 -3.121 0.711 1.00 0.00 C ATOM 1271 O LEU A 83 4.802 -2.398 -0.237 1.00 0.00 O ATOM 1272 CB LEU A 83 6.241 -2.457 2.379 1.00 0.00 C ATOM 1273 CG LEU A 83 5.363 -1.231 2.630 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.252 -1.563 3.615 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.202 -0.069 3.143 1.00 0.00 C ATOM 0 H LEU A 83 7.073 -3.939 0.248 1.00 0.00 H new ATOM 0 HA LEU A 83 5.081 -4.266 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.626 -2.806 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.100 -2.148 1.784 1.00 0.00 H new ATOM 0 HG LEU A 83 4.908 -0.935 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.637 -0.679 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.634 -2.364 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.688 -1.885 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.560 0.795 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.686 -0.354 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.961 0.186 2.404 1.00 0.00 H new ATOM 1287 N ASN A 84 3.250 -3.499 0.963 1.00 0.00 N ATOM 1288 CA ASN A 84 2.138 -3.076 0.119 1.00 0.00 C ATOM 1289 C ASN A 84 0.845 -2.996 0.922 1.00 0.00 C ATOM 1290 O ASN A 84 0.242 -4.018 1.256 1.00 0.00 O ATOM 1291 CB ASN A 84 1.964 -4.043 -1.054 1.00 0.00 C ATOM 1292 CG ASN A 84 0.810 -3.654 -1.958 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -0.245 -3.230 -1.488 1.00 0.00 O ATOM 1294 ND2 ASN A 84 1.007 -3.798 -3.263 1.00 0.00 N ATOM 0 H ASN A 84 2.982 -4.097 1.745 1.00 0.00 H new ATOM 0 HA ASN A 84 2.366 -2.083 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.885 -4.072 -1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.798 -5.049 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.267 -3.553 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.899 -4.154 -3.608 1.00 0.00 H new ATOM 1301 N THR A 85 0.421 -1.775 1.232 1.00 0.00 N ATOM 1302 CA THR A 85 -0.801 -1.560 1.997 1.00 0.00 C ATOM 1303 C THR A 85 -1.570 -0.352 1.477 1.00 0.00 C ATOM 1304 O THR A 85 -0.980 0.600 0.966 1.00 0.00 O ATOM 1305 CB THR A 85 -0.498 -1.357 3.495 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.711 -1.416 4.252 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.187 -0.019 3.730 1.00 0.00 C ATOM 0 H THR A 85 0.907 -0.919 0.965 1.00 0.00 H new ATOM 0 HA THR A 85 -1.411 -2.455 1.876 1.00 0.00 H new ATOM 0 HB THR A 85 0.171 -2.153 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.627 -0.851 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.391 0.103 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.124 0.012 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.463 0.787 3.391 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.892 -0.395 1.611 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.743 0.698 1.157 1.00 0.00 C ATOM 1317 C LYS A 86 -4.001 1.692 2.285 1.00 0.00 C ATOM 1318 O LYS A 86 -4.561 1.338 3.323 1.00 0.00 O ATOM 1319 CB LYS A 86 -5.073 0.150 0.632 1.00 0.00 C ATOM 1320 CG LYS A 86 -6.137 1.218 0.440 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.528 0.612 0.376 1.00 0.00 C ATOM 1322 CE LYS A 86 -7.878 0.168 -1.036 1.00 0.00 C ATOM 1323 NZ LYS A 86 -8.504 1.265 -1.823 1.00 0.00 N ATOM 0 H LYS A 86 -3.397 -1.176 2.031 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.226 1.218 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.899 -0.353 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.446 -0.602 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.088 1.934 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.937 1.771 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.586 -0.241 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.260 1.342 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.976 -0.174 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.560 -0.681 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.450 1.039 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.501 1.368 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.000 2.156 -1.639 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.591 2.938 2.074 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.778 3.985 3.072 1.00 0.00 C ATOM 1339 C LEU A 87 -5.252 4.130 3.438 1.00 0.00 C ATOM 1340 O LEU A 87 -6.132 3.942 2.597 1.00 0.00 O ATOM 1341 CB LEU A 87 -3.237 5.317 2.550 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.818 5.288 1.980 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.503 6.593 1.266 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.804 5.025 3.085 1.00 0.00 C ATOM 0 H LEU A 87 -3.127 3.248 1.220 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.226 3.702 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.911 5.681 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.266 6.042 3.364 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.755 4.476 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.489 6.554 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.209 6.740 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.584 7.422 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.200 5.008 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.868 5.815 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.017 4.064 3.553 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.513 4.468 4.695 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.880 4.642 5.171 1.00 0.00 C ATOM 1358 C TRP A 88 -7.052 5.994 5.854 1.00 0.00 C ATOM 1359 O TRP A 88 -6.075 6.623 6.260 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.252 3.518 6.140 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.329 3.419 7.316 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.509 3.981 8.549 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -5.082 2.717 7.371 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.448 3.671 9.366 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.559 2.896 8.668 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.356 1.954 6.452 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.346 2.340 9.064 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -3.152 1.404 6.848 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.657 1.598 8.144 1.00 0.00 C ATOM 0 H TRP A 88 -4.796 4.627 5.403 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.545 4.604 4.308 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.269 3.678 6.498 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.248 2.569 5.603 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.360 4.580 8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.340 3.970 10.335 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.729 1.797 5.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.962 2.489 10.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.582 0.814 6.146 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.713 1.153 8.422 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.299 6.436 5.977 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.598 7.713 6.613 1.00 0.00 C ATOM 1382 C ALA A 89 -7.969 7.797 8.000 1.00 0.00 C ATOM 1383 O ALA A 89 -7.376 8.811 8.361 1.00 0.00 O ATOM 1384 CB ALA A 89 -10.103 7.921 6.700 1.00 0.00 C ATOM 0 H ALA A 89 -9.119 5.928 5.644 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.168 8.505 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.311 8.879 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.530 7.915 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.548 7.118 7.288 1.00 0.00 H new ATOM 1390 N GLN A 90 -8.106 6.723 8.772 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.552 6.677 10.120 1.00 0.00 C ATOM 1392 C GLN A 90 -6.086 6.258 10.092 1.00 0.00 C ATOM 1393 O GLN A 90 -5.599 5.609 11.017 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.355 5.708 10.990 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.858 5.914 10.901 1.00 0.00 C ATOM 1396 CD GLN A 90 -10.310 7.211 11.542 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -10.070 7.448 12.727 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.969 8.059 10.762 1.00 0.00 N ATOM 0 H GLN A 90 -8.595 5.874 8.487 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.617 7.678 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.119 4.686 10.694 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.042 5.820 12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.160 5.907 9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.364 5.079 11.385 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.146 7.822 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.299 8.948 11.139 1.00 0.00 H new ATOM 1407 N MET A 91 -5.388 6.632 9.025 1.00 0.00 N ATOM 1408 CA MET A 91 -3.978 6.296 8.877 1.00 0.00 C ATOM 1409 C MET A 91 -3.132 7.031 9.913 1.00 0.00 C ATOM 1410 O MET A 91 -3.365 8.205 10.197 1.00 0.00 O ATOM 1411 CB MET A 91 -3.493 6.643 7.468 1.00 0.00 C ATOM 1412 CG MET A 91 -1.980 6.634 7.327 1.00 0.00 C ATOM 1413 SD MET A 91 -1.245 5.063 7.820 1.00 0.00 S ATOM 1414 CE MET A 91 -0.510 4.533 6.275 1.00 0.00 C ATOM 0 H MET A 91 -5.777 7.169 8.250 1.00 0.00 H new ATOM 0 HA MET A 91 -3.868 5.224 9.037 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.920 5.932 6.760 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.869 7.629 7.196 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.714 6.846 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.558 7.435 7.934 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.479 4.116 6.467 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.141 3.773 5.814 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.420 5.387 5.603 1.00 0.00 H new ATOM 1424 N GLN A 92 -2.152 6.329 10.475 1.00 0.00 N ATOM 1425 CA GLN A 92 -1.274 6.916 11.480 1.00 0.00 C ATOM 1426 C GLN A 92 0.106 7.203 10.897 1.00 0.00 C ATOM 1427 O GLN A 92 0.813 6.288 10.473 1.00 0.00 O ATOM 1428 CB GLN A 92 -1.147 5.981 12.684 1.00 0.00 C ATOM 1429 CG GLN A 92 -2.392 5.940 13.556 1.00 0.00 C ATOM 1430 CD GLN A 92 -2.153 5.246 14.882 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -1.602 5.833 15.814 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -2.568 3.988 14.976 1.00 0.00 N ATOM 0 H GLN A 92 -1.947 5.355 10.252 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.714 7.859 11.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.928 4.974 12.330 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.299 6.297 13.291 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.736 6.958 13.740 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.190 5.426 13.020 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.020 3.539 14.179 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.435 3.471 15.845 1.00 0.00 H new ATOM 1441 N ILE A 93 0.481 8.477 10.879 1.00 0.00 N ATOM 1442 CA ILE A 93 1.778 8.884 10.349 1.00 0.00 C ATOM 1443 C ILE A 93 2.297 10.127 11.062 1.00 0.00 C ATOM 1444 O ILE A 93 1.653 11.175 11.054 1.00 0.00 O ATOM 1445 CB ILE A 93 1.703 9.167 8.836 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.910 9.993 8.390 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.406 9.885 8.495 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.961 10.231 6.897 1.00 0.00 C ATOM 0 H ILE A 93 -0.094 9.245 11.225 1.00 0.00 H new ATOM 0 HA ILE A 93 2.465 8.056 10.522 1.00 0.00 H new ATOM 0 HB ILE A 93 1.720 8.217 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.891 10.955 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.823 9.484 8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.368 10.078 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.441 9.262 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.361 10.830 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.843 10.823 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.011 9.274 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.065 10.767 6.583 1.00 0.00 H new ATOM 1460 N ASP A 94 3.470 10.002 11.676 1.00 0.00 N ATOM 1461 CA ASP A 94 4.079 11.117 12.392 1.00 0.00 C ATOM 1462 C ASP A 94 5.435 11.473 11.790 1.00 0.00 C ATOM 1463 O ASP A 94 6.129 10.614 11.245 1.00 0.00 O ATOM 1464 CB ASP A 94 4.240 10.773 13.873 1.00 0.00 C ATOM 1465 CG ASP A 94 2.942 10.916 14.645 1.00 0.00 C ATOM 1466 OD1 ASP A 94 1.992 10.161 14.351 1.00 0.00 O ATOM 1467 OD2 ASP A 94 2.878 11.780 15.542 1.00 0.00 O ATOM 0 H ASP A 94 4.017 9.141 11.692 1.00 0.00 H new ATOM 0 HA ASP A 94 3.421 11.981 12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.605 9.750 13.968 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.995 11.423 14.314 1.00 0.00 H new ATOM 1472 N LYS A 95 5.807 12.745 11.891 1.00 0.00 N ATOM 1473 CA LYS A 95 7.080 13.216 11.358 1.00 0.00 C ATOM 1474 C LYS A 95 8.124 13.329 12.464 1.00 0.00 C ATOM 1475 O LYS A 95 8.162 14.320 13.194 1.00 0.00 O ATOM 1476 CB LYS A 95 6.898 14.571 10.671 1.00 0.00 C ATOM 1477 CG LYS A 95 8.168 15.102 10.030 1.00 0.00 C ATOM 1478 CD LYS A 95 8.607 14.236 8.862 1.00 0.00 C ATOM 1479 CE LYS A 95 9.305 15.059 7.790 1.00 0.00 C ATOM 1480 NZ LYS A 95 10.175 16.114 8.378 1.00 0.00 N ATOM 0 H LYS A 95 5.244 13.469 12.338 1.00 0.00 H new ATOM 0 HA LYS A 95 7.431 12.489 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.125 14.481 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.540 15.295 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.003 16.123 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.963 15.141 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.279 13.456 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.739 13.737 8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.906 14.402 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.559 15.522 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.747 16.551 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.583 16.841 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.804 15.689 9.089 1.00 0.00 H new ATOM 1494 N ALA A 96 8.970 12.312 12.580 1.00 0.00 N ATOM 1495 CA ALA A 96 10.017 12.300 13.594 1.00 0.00 C ATOM 1496 C ALA A 96 11.063 13.374 13.315 1.00 0.00 C ATOM 1497 O ALA A 96 11.505 14.075 14.226 1.00 0.00 O ATOM 1498 CB ALA A 96 10.671 10.928 13.662 1.00 0.00 C ATOM 0 H ALA A 96 8.951 11.485 11.984 1.00 0.00 H new ATOM 0 HA ALA A 96 9.558 12.519 14.558 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.451 10.934 14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.921 10.180 13.917 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.111 10.686 12.694 1.00 0.00 H new ATOM 1504 N SER A 97 11.455 13.498 12.051 1.00 0.00 N ATOM 1505 CA SER A 97 12.453 14.484 11.653 1.00 0.00 C ATOM 1506 C SER A 97 12.502 14.625 10.135 1.00 0.00 C ATOM 1507 O SER A 97 11.830 13.891 9.411 1.00 0.00 O ATOM 1508 CB SER A 97 13.833 14.087 12.184 1.00 0.00 C ATOM 1509 OG SER A 97 14.646 15.229 12.390 1.00 0.00 O ATOM 0 H SER A 97 11.097 12.928 11.285 1.00 0.00 H new ATOM 0 HA SER A 97 12.169 15.445 12.081 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.723 13.541 13.121 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.318 13.413 11.478 1.00 0.00 H new ATOM 0 HG SER A 97 15.521 14.950 12.731 1.00 0.00 H new ATOM 1515 N GLU A 98 13.302 15.575 9.661 1.00 0.00 N ATOM 1516 CA GLU A 98 13.439 15.813 8.229 1.00 0.00 C ATOM 1517 C GLU A 98 14.334 14.757 7.583 1.00 0.00 C ATOM 1518 O GLU A 98 14.697 14.867 6.412 1.00 0.00 O ATOM 1519 CB GLU A 98 14.012 17.208 7.973 1.00 0.00 C ATOM 1520 CG GLU A 98 15.520 17.286 8.140 1.00 0.00 C ATOM 1521 CD GLU A 98 16.033 18.713 8.157 1.00 0.00 C ATOM 1522 OE1 GLU A 98 15.304 19.598 8.652 1.00 0.00 O ATOM 1523 OE2 GLU A 98 17.161 18.945 7.675 1.00 0.00 O ATOM 0 H GLU A 98 13.865 16.192 10.247 1.00 0.00 H new ATOM 0 HA GLU A 98 12.448 15.747 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.750 17.519 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.542 17.916 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.805 16.791 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.000 16.741 7.327 1.00 0.00 H new ATOM 1530 N LYS A 99 14.685 13.736 8.357 1.00 0.00 N ATOM 1531 CA LYS A 99 15.535 12.659 7.864 1.00 0.00 C ATOM 1532 C LYS A 99 14.833 11.311 7.985 1.00 0.00 C ATOM 1533 O LYS A 99 14.941 10.462 7.101 1.00 0.00 O ATOM 1534 CB LYS A 99 16.856 12.631 8.636 1.00 0.00 C ATOM 1535 CG LYS A 99 17.606 13.951 8.608 1.00 0.00 C ATOM 1536 CD LYS A 99 18.363 14.135 7.305 1.00 0.00 C ATOM 1537 CE LYS A 99 19.672 13.359 7.305 1.00 0.00 C ATOM 1538 NZ LYS A 99 20.708 14.019 8.146 1.00 0.00 N ATOM 0 H LYS A 99 14.394 13.632 9.329 1.00 0.00 H new ATOM 0 HA LYS A 99 15.741 12.846 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.656 12.359 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.494 11.852 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.902 14.773 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.304 13.992 9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.742 13.803 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.567 15.194 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.495 12.348 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.039 13.266 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.628 13.560 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.775 15.025 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.447 13.934 9.149 1.00 0.00 H new ATOM 1552 N SER A 100 14.113 11.122 9.087 1.00 0.00 N ATOM 1553 CA SER A 100 13.395 9.875 9.325 1.00 0.00 C ATOM 1554 C SER A 100 11.896 10.128 9.454 1.00 0.00 C ATOM 1555 O SER A 100 11.469 11.226 9.816 1.00 0.00 O ATOM 1556 CB SER A 100 13.918 9.194 10.590 1.00 0.00 C ATOM 1557 OG SER A 100 13.534 9.909 11.752 1.00 0.00 O ATOM 0 H SER A 100 14.012 11.816 9.828 1.00 0.00 H new ATOM 0 HA SER A 100 13.564 9.219 8.471 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.534 8.175 10.643 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.005 9.123 10.546 1.00 0.00 H new ATOM 0 HG SER A 100 13.880 9.451 12.547 1.00 0.00 H new ATOM 1563 N ILE A 101 11.101 9.106 9.155 1.00 0.00 N ATOM 1564 CA ILE A 101 9.649 9.217 9.238 1.00 0.00 C ATOM 1565 C ILE A 101 9.022 7.899 9.680 1.00 0.00 C ATOM 1566 O ILE A 101 9.501 6.821 9.325 1.00 0.00 O ATOM 1567 CB ILE A 101 9.038 9.636 7.888 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.679 10.936 7.396 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.532 9.798 8.016 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.424 11.218 5.931 1.00 0.00 C ATOM 0 H ILE A 101 11.437 8.192 8.853 1.00 0.00 H new ATOM 0 HA ILE A 101 9.433 9.986 9.979 1.00 0.00 H new ATOM 0 HB ILE A 101 9.238 8.853 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.298 11.767 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.754 10.889 7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.115 10.094 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.089 8.852 8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.310 10.564 8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.907 12.154 5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.830 10.406 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.351 11.297 5.757 1.00 0.00 H new ATOM 1582 N HIS A 102 7.948 7.992 10.455 1.00 0.00 N ATOM 1583 CA HIS A 102 7.252 6.807 10.944 1.00 0.00 C ATOM 1584 C HIS A 102 5.847 6.718 10.354 1.00 0.00 C ATOM 1585 O HIS A 102 5.106 7.701 10.345 1.00 0.00 O ATOM 1586 CB HIS A 102 7.175 6.827 12.470 1.00 0.00 C ATOM 1587 CG HIS A 102 8.517 6.825 13.138 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.764 6.175 14.328 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.687 7.398 12.773 1.00 0.00 C ATOM 1590 CE1 HIS A 102 10.028 6.349 14.668 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.611 7.088 13.740 1.00 0.00 N ATOM 0 H HIS A 102 7.540 8.876 10.759 1.00 0.00 H new ATOM 0 HA HIS A 102 7.816 5.930 10.627 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.622 7.712 12.786 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.609 5.959 12.808 1.00 0.00 H new ATOM 0 HD1 HIS A 102 8.078 5.643 14.863 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.862 7.989 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.504 5.955 15.553 1.00 0.00 H new ATOM 1599 N ILE A 103 5.491 5.538 9.861 1.00 0.00 N ATOM 1600 CA ILE A 103 4.176 5.322 9.269 1.00 0.00 C ATOM 1601 C ILE A 103 3.660 3.920 9.573 1.00 0.00 C ATOM 1602 O ILE A 103 4.436 2.969 9.676 1.00 0.00 O ATOM 1603 CB ILE A 103 4.206 5.527 7.743 1.00 0.00 C ATOM 1604 CG1 ILE A 103 4.878 4.335 7.059 1.00 0.00 C ATOM 1605 CG2 ILE A 103 4.928 6.821 7.396 1.00 0.00 C ATOM 1606 CD1 ILE A 103 3.915 3.230 6.687 1.00 0.00 C ATOM 0 H ILE A 103 6.094 4.716 9.859 1.00 0.00 H new ATOM 0 HA ILE A 103 3.505 6.057 9.713 1.00 0.00 H new ATOM 0 HB ILE A 103 3.180 5.598 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.386 4.682 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.644 3.931 7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.941 6.952 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.410 7.662 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.952 6.778 7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.461 2.418 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.426 2.856 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.163 3.618 6.000 1.00 0.00 H new ATOM 1618 N THR A 104 2.343 3.797 9.714 1.00 0.00 N ATOM 1619 CA THR A 104 1.722 2.511 10.004 1.00 0.00 C ATOM 1620 C THR A 104 1.199 1.854 8.733 1.00 0.00 C ATOM 1621 O THR A 104 0.391 2.435 8.009 1.00 0.00 O ATOM 1622 CB THR A 104 0.562 2.662 11.006 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.317 3.711 10.584 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.087 2.965 12.402 1.00 0.00 C ATOM 0 H THR A 104 1.686 4.573 9.632 1.00 0.00 H new ATOM 0 HA THR A 104 2.493 1.879 10.444 1.00 0.00 H new ATOM 0 HB THR A 104 0.015 1.720 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.352 3.734 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.249 3.067 13.092 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.732 2.151 12.733 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.657 3.894 12.383 1.00 0.00 H new ATOM 1632 N ALA A 105 1.663 0.637 8.467 1.00 0.00 N ATOM 1633 CA ALA A 105 1.241 -0.101 7.284 1.00 0.00 C ATOM 1634 C ALA A 105 1.083 -1.587 7.591 1.00 0.00 C ATOM 1635 O ALA A 105 1.639 -2.091 8.565 1.00 0.00 O ATOM 1636 CB ALA A 105 2.234 0.103 6.150 1.00 0.00 C ATOM 0 H ALA A 105 2.332 0.141 9.056 1.00 0.00 H new ATOM 0 HA ALA A 105 0.270 0.285 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.905 -0.455 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.293 1.163 5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.217 -0.253 6.459 1.00 0.00 H new ATOM 1642 N MET A 106 0.319 -2.280 6.754 1.00 0.00 N ATOM 1643 CA MET A 106 0.088 -3.709 6.936 1.00 0.00 C ATOM 1644 C MET A 106 1.177 -4.527 6.251 1.00 0.00 C ATOM 1645 O MET A 106 1.712 -4.124 5.217 1.00 0.00 O ATOM 1646 CB MET A 106 -1.284 -4.101 6.384 1.00 0.00 C ATOM 1647 CG MET A 106 -2.428 -3.827 7.348 1.00 0.00 C ATOM 1648 SD MET A 106 -3.996 -3.549 6.503 1.00 0.00 S ATOM 1649 CE MET A 106 -4.734 -2.304 7.559 1.00 0.00 C ATOM 0 H MET A 106 -0.151 -1.876 5.944 1.00 0.00 H new ATOM 0 HA MET A 106 0.116 -3.922 8.005 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.463 -3.556 5.457 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.276 -5.162 6.134 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.532 -4.670 8.031 1.00 0.00 H new ATOM 0 HG3 MET A 106 -2.186 -2.954 7.954 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.634 -1.912 7.085 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.994 -2.749 8.519 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.024 -1.492 7.716 1.00 0.00 H new ATOM 1659 N ASP A 107 1.501 -5.678 6.831 1.00 0.00 N ATOM 1660 CA ASP A 107 2.527 -6.553 6.276 1.00 0.00 C ATOM 1661 C ASP A 107 1.943 -7.452 5.190 1.00 0.00 C ATOM 1662 O ASP A 107 0.725 -7.581 5.062 1.00 0.00 O ATOM 1663 CB ASP A 107 3.153 -7.406 7.380 1.00 0.00 C ATOM 1664 CG ASP A 107 4.602 -7.749 7.095 1.00 0.00 C ATOM 1665 OD1 ASP A 107 5.473 -6.888 7.336 1.00 0.00 O ATOM 1666 OD2 ASP A 107 4.865 -8.878 6.631 1.00 0.00 O ATOM 0 H ASP A 107 1.067 -6.027 7.686 1.00 0.00 H new ATOM 0 HA ASP A 107 3.300 -5.928 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.089 -6.872 8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.580 -8.326 7.493 1.00 0.00 H new ATOM 1671 N THR A 108 2.822 -8.073 4.408 1.00 0.00 N ATOM 1672 CA THR A 108 2.393 -8.957 3.331 1.00 0.00 C ATOM 1673 C THR A 108 2.267 -10.396 3.820 1.00 0.00 C ATOM 1674 O THR A 108 1.321 -11.099 3.467 1.00 0.00 O ATOM 1675 CB THR A 108 3.375 -8.914 2.146 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.702 -9.209 2.596 1.00 0.00 O ATOM 1677 CG2 THR A 108 3.354 -7.549 1.475 1.00 0.00 C ATOM 0 H THR A 108 3.834 -7.980 4.501 1.00 0.00 H new ATOM 0 HA THR A 108 1.418 -8.602 2.998 1.00 0.00 H new ATOM 0 HB THR A 108 3.064 -9.664 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.260 -8.407 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.056 -7.543 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.350 -7.340 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.642 -6.784 2.197 1.00 0.00 H new ATOM 1685 N GLU A 109 3.227 -10.826 4.634 1.00 0.00 N ATOM 1686 CA GLU A 109 3.221 -12.182 5.170 1.00 0.00 C ATOM 1687 C GLU A 109 2.697 -12.198 6.604 1.00 0.00 C ATOM 1688 O GLU A 109 1.878 -13.042 6.967 1.00 0.00 O ATOM 1689 CB GLU A 109 4.629 -12.778 5.124 1.00 0.00 C ATOM 1690 CG GLU A 109 5.199 -12.885 3.720 1.00 0.00 C ATOM 1691 CD GLU A 109 6.269 -13.953 3.603 1.00 0.00 C ATOM 1692 OE1 GLU A 109 7.430 -13.671 3.968 1.00 0.00 O ATOM 1693 OE2 GLU A 109 5.947 -15.070 3.148 1.00 0.00 O ATOM 0 H GLU A 109 4.017 -10.256 4.936 1.00 0.00 H new ATOM 0 HA GLU A 109 2.557 -12.787 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.294 -12.164 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.610 -13.770 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.393 -13.106 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.619 -11.922 3.428 1.00 0.00 H new ATOM 1700 N ASP A 110 3.176 -11.260 7.413 1.00 0.00 N ATOM 1701 CA ASP A 110 2.756 -11.164 8.806 1.00 0.00 C ATOM 1702 C ASP A 110 1.270 -10.833 8.905 1.00 0.00 C ATOM 1703 O ASP A 110 0.619 -11.153 9.899 1.00 0.00 O ATOM 1704 CB ASP A 110 3.578 -10.101 9.537 1.00 0.00 C ATOM 1705 CG ASP A 110 4.856 -10.663 10.130 1.00 0.00 C ATOM 1706 OD1 ASP A 110 5.703 -11.157 9.354 1.00 0.00 O ATOM 1707 OD2 ASP A 110 5.010 -10.608 11.367 1.00 0.00 O ATOM 0 H ASP A 110 3.856 -10.555 7.128 1.00 0.00 H new ATOM 0 HA ASP A 110 2.926 -12.132 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.825 -9.297 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.975 -9.662 10.332 1.00 0.00 H new ATOM 1712 N GLN A 111 0.743 -10.189 7.868 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.666 -9.814 7.840 1.00 0.00 C ATOM 1714 C GLN A 111 -1.035 -8.994 9.072 1.00 0.00 C ATOM 1715 O GLN A 111 -2.103 -9.178 9.656 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.547 -11.061 7.760 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.297 -11.903 6.520 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.495 -12.750 6.138 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.548 -13.943 6.437 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.468 -12.135 5.474 1.00 0.00 N ATOM 0 H GLN A 111 1.269 -9.917 7.038 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.835 -9.202 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.377 -11.673 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.594 -10.758 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.039 -11.249 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.439 -12.552 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.383 -11.144 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.300 -12.654 5.192 1.00 0.00 H new ATOM 1729 N GLY A 112 -0.144 -8.087 9.464 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.395 -7.254 10.624 1.00 0.00 C ATOM 1731 C GLY A 112 -0.082 -5.793 10.367 1.00 0.00 C ATOM 1732 O GLY A 112 0.674 -5.464 9.453 1.00 0.00 O ATOM 0 H GLY A 112 0.747 -7.915 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.440 -7.352 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.207 -7.610 11.460 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.668 -4.913 11.174 1.00 0.00 N ATOM 1737 CA VAL A 113 -0.449 -3.479 11.029 1.00 0.00 C ATOM 1738 C VAL A 113 0.712 -3.010 11.898 1.00 0.00 C ATOM 1739 O VAL A 113 0.555 -2.793 13.100 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.710 -2.677 11.401 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.385 -1.197 11.530 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.807 -2.903 10.371 1.00 0.00 C ATOM 0 H VAL A 113 -1.298 -5.169 11.935 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.210 -3.300 9.981 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.071 -3.029 12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.289 -0.648 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.635 -1.056 12.308 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.998 -0.825 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.691 -2.329 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.458 -2.579 9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.059 -3.963 10.335 1.00 0.00 H new ATOM 1752 N LYS A 114 1.880 -2.854 11.283 1.00 0.00 N ATOM 1753 CA LYS A 114 3.069 -2.409 12.000 1.00 0.00 C ATOM 1754 C LYS A 114 3.534 -1.048 11.489 1.00 0.00 C ATOM 1755 O LYS A 114 3.157 -0.622 10.398 1.00 0.00 O ATOM 1756 CB LYS A 114 4.195 -3.434 11.847 1.00 0.00 C ATOM 1757 CG LYS A 114 4.372 -3.937 10.425 1.00 0.00 C ATOM 1758 CD LYS A 114 5.272 -5.159 10.373 1.00 0.00 C ATOM 1759 CE LYS A 114 4.563 -6.397 10.899 1.00 0.00 C ATOM 1760 NZ LYS A 114 5.519 -7.379 11.482 1.00 0.00 N ATOM 0 H LYS A 114 2.028 -3.029 10.289 1.00 0.00 H new ATOM 0 HA LYS A 114 2.813 -2.314 13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.130 -2.987 12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.994 -4.282 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.398 -4.183 10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.797 -3.145 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.594 -5.332 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.171 -4.975 10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.836 -6.105 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.007 -6.869 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.107 -8.333 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.408 -7.361 10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.711 -7.130 12.473 1.00 0.00 H new ATOM 1774 N VAL A 115 4.354 -0.371 12.287 1.00 0.00 N ATOM 1775 CA VAL A 115 4.872 0.940 11.915 1.00 0.00 C ATOM 1776 C VAL A 115 6.307 0.841 11.409 1.00 0.00 C ATOM 1777 O VAL A 115 7.203 0.408 12.133 1.00 0.00 O ATOM 1778 CB VAL A 115 4.824 1.920 13.102 1.00 0.00 C ATOM 1779 CG1 VAL A 115 5.526 1.326 14.313 1.00 0.00 C ATOM 1780 CG2 VAL A 115 5.446 3.254 12.716 1.00 0.00 C ATOM 0 H VAL A 115 4.674 -0.709 13.195 1.00 0.00 H new ATOM 0 HA VAL A 115 4.234 1.317 11.116 1.00 0.00 H new ATOM 0 HB VAL A 115 3.781 2.094 13.366 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.482 2.033 15.142 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.032 0.398 14.601 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.568 1.121 14.066 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.404 3.935 13.566 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.485 3.100 12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.895 3.684 11.879 1.00 0.00 H new ATOM 1790 N PHE A 116 6.518 1.247 10.161 1.00 0.00 N ATOM 1791 CA PHE A 116 7.845 1.203 9.557 1.00 0.00 C ATOM 1792 C PHE A 116 8.532 2.562 9.656 1.00 0.00 C ATOM 1793 O PHE A 116 7.954 3.529 10.155 1.00 0.00 O ATOM 1794 CB PHE A 116 7.747 0.773 8.091 1.00 0.00 C ATOM 1795 CG PHE A 116 7.083 -0.560 7.901 1.00 0.00 C ATOM 1796 CD1 PHE A 116 5.710 -0.689 8.028 1.00 0.00 C ATOM 1797 CD2 PHE A 116 7.833 -1.685 7.595 1.00 0.00 C ATOM 1798 CE1 PHE A 116 5.095 -1.914 7.852 1.00 0.00 C ATOM 1799 CE2 PHE A 116 7.223 -2.913 7.417 1.00 0.00 C ATOM 1800 CZ PHE A 116 5.853 -3.028 7.548 1.00 0.00 C ATOM 0 H PHE A 116 5.788 1.610 9.549 1.00 0.00 H new ATOM 0 HA PHE A 116 8.442 0.473 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.192 1.529 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.749 0.735 7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 116 5.113 0.178 8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.905 -1.601 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 116 4.023 -2.000 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.818 -3.782 7.176 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.375 -3.987 7.413 1.00 0.00 H new ATOM 1810 N LEU A 117 9.769 2.629 9.178 1.00 0.00 N ATOM 1811 CA LEU A 117 10.537 3.868 9.211 1.00 0.00 C ATOM 1812 C LEU A 117 11.051 4.229 7.821 1.00 0.00 C ATOM 1813 O LEU A 117 11.405 3.351 7.033 1.00 0.00 O ATOM 1814 CB LEU A 117 11.712 3.737 10.183 1.00 0.00 C ATOM 1815 CG LEU A 117 12.426 5.037 10.552 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.818 5.642 11.808 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.915 4.792 10.743 1.00 0.00 C ATOM 0 H LEU A 117 10.262 1.839 8.762 1.00 0.00 H new ATOM 0 HA LEU A 117 9.877 4.666 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.349 3.273 11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.443 3.055 9.748 1.00 0.00 H new ATOM 0 HG LEU A 117 12.297 5.745 9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.339 6.567 12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.763 5.855 11.635 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.916 4.938 12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.407 5.729 11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.065 4.067 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.342 4.405 9.818 1.00 0.00 H new ATOM 1829 N ILE A 118 11.091 5.524 7.529 1.00 0.00 N ATOM 1830 CA ILE A 118 11.565 6.000 6.235 1.00 0.00 C ATOM 1831 C ILE A 118 12.703 7.002 6.402 1.00 0.00 C ATOM 1832 O ILE A 118 12.482 8.150 6.786 1.00 0.00 O ATOM 1833 CB ILE A 118 10.431 6.659 5.428 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.212 5.736 5.372 1.00 0.00 C ATOM 1835 CG2 ILE A 118 10.908 7.001 4.024 1.00 0.00 C ATOM 1836 CD1 ILE A 118 7.916 6.460 5.083 1.00 0.00 C ATOM 0 H ILE A 118 10.801 6.262 8.170 1.00 0.00 H new ATOM 0 HA ILE A 118 11.928 5.128 5.691 1.00 0.00 H new ATOM 0 HB ILE A 118 10.141 7.584 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.375 4.980 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.121 5.211 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.095 7.466 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.749 7.692 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.223 6.090 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.096 5.742 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.729 7.198 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.987 6.963 4.118 1.00 0.00 H new ATOM 1848 N SER A 119 13.921 6.559 6.106 1.00 0.00 N ATOM 1849 CA SER A 119 15.095 7.416 6.225 1.00 0.00 C ATOM 1850 C SER A 119 15.596 7.844 4.849 1.00 0.00 C ATOM 1851 O SER A 119 15.840 7.010 3.978 1.00 0.00 O ATOM 1852 CB SER A 119 16.209 6.689 6.982 1.00 0.00 C ATOM 1853 OG SER A 119 17.200 7.598 7.427 1.00 0.00 O ATOM 0 H SER A 119 14.120 5.612 5.782 1.00 0.00 H new ATOM 0 HA SER A 119 14.809 8.308 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.787 6.159 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.663 5.939 6.335 1.00 0.00 H new ATOM 0 HG SER A 119 17.899 7.109 7.909 1.00 0.00 H new ATOM 1859 N ALA A 120 15.747 9.151 4.662 1.00 0.00 N ATOM 1860 CA ALA A 120 16.220 9.692 3.395 1.00 0.00 C ATOM 1861 C ALA A 120 16.910 11.037 3.595 1.00 0.00 C ATOM 1862 O ALA A 120 16.996 11.541 4.714 1.00 0.00 O ATOM 1863 CB ALA A 120 15.064 9.830 2.415 1.00 0.00 C ATOM 0 H ALA A 120 15.548 9.855 5.373 1.00 0.00 H new ATOM 0 HA ALA A 120 16.951 8.997 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.432 10.235 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.617 8.851 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.313 10.502 2.830 1.00 0.00 H new ATOM 1869 N SER A 121 17.401 11.614 2.502 1.00 0.00 N ATOM 1870 CA SER A 121 18.087 12.899 2.558 1.00 0.00 C ATOM 1871 C SER A 121 17.195 13.964 3.190 1.00 0.00 C ATOM 1872 O SER A 121 15.981 13.973 2.986 1.00 0.00 O ATOM 1873 CB SER A 121 18.509 13.338 1.155 1.00 0.00 C ATOM 1874 OG SER A 121 19.299 14.514 1.204 1.00 0.00 O ATOM 0 H SER A 121 17.336 11.211 1.567 1.00 0.00 H new ATOM 0 HA SER A 121 18.977 12.781 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 121 19.072 12.538 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 121 17.624 13.516 0.545 1.00 0.00 H new ATOM 0 HG SER A 121 19.557 14.773 0.295 1.00 0.00 H new ATOM 1880 N SER A 122 17.807 14.862 3.955 1.00 0.00 N ATOM 1881 CA SER A 122 17.069 15.929 4.620 1.00 0.00 C ATOM 1882 C SER A 122 15.928 16.430 3.740 1.00 0.00 C ATOM 1883 O SER A 122 14.824 16.688 4.221 1.00 0.00 O ATOM 1884 CB SER A 122 18.008 17.087 4.966 1.00 0.00 C ATOM 1885 OG SER A 122 18.936 17.321 3.922 1.00 0.00 O ATOM 0 H SER A 122 18.812 14.872 4.130 1.00 0.00 H new ATOM 0 HA SER A 122 16.645 15.526 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.425 17.990 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.543 16.862 5.889 1.00 0.00 H new ATOM 0 HG SER A 122 19.523 18.067 4.167 1.00 0.00 H new ATOM 1891 N LYS A 123 16.203 16.567 2.447 1.00 0.00 N ATOM 1892 CA LYS A 123 15.201 17.035 1.497 1.00 0.00 C ATOM 1893 C LYS A 123 14.292 15.892 1.056 1.00 0.00 C ATOM 1894 O LYS A 123 13.083 15.924 1.285 1.00 0.00 O ATOM 1895 CB LYS A 123 15.879 17.661 0.276 1.00 0.00 C ATOM 1896 CG LYS A 123 14.904 18.109 -0.799 1.00 0.00 C ATOM 1897 CD LYS A 123 14.123 19.338 -0.366 1.00 0.00 C ATOM 1898 CE LYS A 123 13.054 19.706 -1.383 1.00 0.00 C ATOM 1899 NZ LYS A 123 11.988 20.558 -0.784 1.00 0.00 N ATOM 0 H LYS A 123 17.112 16.360 2.033 1.00 0.00 H new ATOM 0 HA LYS A 123 14.591 17.790 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.470 18.518 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.573 16.939 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.449 18.328 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.212 17.298 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.657 19.152 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.806 20.177 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.514 20.234 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.608 18.797 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.278 20.787 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.532 20.045 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.409 21.437 -0.422 1.00 0.00 H new ATOM 1913 N ASP A 124 14.882 14.884 0.424 1.00 0.00 N ATOM 1914 CA ASP A 124 14.125 13.729 -0.046 1.00 0.00 C ATOM 1915 C ASP A 124 13.036 13.350 0.952 1.00 0.00 C ATOM 1916 O ASP A 124 11.927 12.979 0.566 1.00 0.00 O ATOM 1917 CB ASP A 124 15.061 12.540 -0.278 1.00 0.00 C ATOM 1918 CG ASP A 124 15.808 12.640 -1.592 1.00 0.00 C ATOM 1919 OD1 ASP A 124 16.879 13.281 -1.619 1.00 0.00 O ATOM 1920 OD2 ASP A 124 15.323 12.076 -2.596 1.00 0.00 O ATOM 0 H ASP A 124 15.882 14.843 0.225 1.00 0.00 H new ATOM 0 HA ASP A 124 13.649 13.996 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.778 12.481 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.482 11.617 -0.262 1.00 0.00 H new ATOM 1925 N THR A 125 13.361 13.443 2.238 1.00 0.00 N ATOM 1926 CA THR A 125 12.412 13.107 3.292 1.00 0.00 C ATOM 1927 C THR A 125 11.155 13.963 3.193 1.00 0.00 C ATOM 1928 O THR A 125 10.070 13.458 2.908 1.00 0.00 O ATOM 1929 CB THR A 125 13.036 13.290 4.689 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.259 12.553 4.780 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.076 12.827 5.774 1.00 0.00 C ATOM 0 H THR A 125 14.274 13.748 2.574 1.00 0.00 H new ATOM 0 HA THR A 125 12.146 12.059 3.156 1.00 0.00 H new ATOM 0 HB THR A 125 13.241 14.350 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.944 12.987 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.538 12.966 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.157 13.411 5.720 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.844 11.772 5.629 1.00 0.00 H new ATOM 1939 N GLY A 126 11.308 15.262 3.429 1.00 0.00 N ATOM 1940 CA GLY A 126 10.176 16.168 3.360 1.00 0.00 C ATOM 1941 C GLY A 126 9.229 15.827 2.228 1.00 0.00 C ATOM 1942 O GLY A 126 8.017 15.998 2.352 1.00 0.00 O ATOM 0 H GLY A 126 12.196 15.704 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.633 16.139 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.538 17.188 3.232 1.00 0.00 H new ATOM 1946 N GLN A 127 9.783 15.346 1.119 1.00 0.00 N ATOM 1947 CA GLN A 127 8.979 14.983 -0.042 1.00 0.00 C ATOM 1948 C GLN A 127 8.075 13.796 0.273 1.00 0.00 C ATOM 1949 O GLN A 127 6.854 13.936 0.355 1.00 0.00 O ATOM 1950 CB GLN A 127 9.882 14.652 -1.231 1.00 0.00 C ATOM 1951 CG GLN A 127 10.272 15.868 -2.055 1.00 0.00 C ATOM 1952 CD GLN A 127 11.472 15.608 -2.946 1.00 0.00 C ATOM 1953 OE1 GLN A 127 11.400 14.820 -3.889 1.00 0.00 O ATOM 1954 NE2 GLN A 127 12.583 16.272 -2.650 1.00 0.00 N ATOM 0 H GLN A 127 10.785 15.199 1.000 1.00 0.00 H new ATOM 0 HA GLN A 127 8.351 15.836 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.786 14.166 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.373 13.935 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.426 16.172 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.494 16.700 -1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.597 16.915 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 127 13.422 16.139 -3.214 1.00 0.00 H new ATOM 1963 N LEU A 128 8.682 12.627 0.446 1.00 0.00 N ATOM 1964 CA LEU A 128 7.932 11.412 0.751 1.00 0.00 C ATOM 1965 C LEU A 128 6.896 11.672 1.839 1.00 0.00 C ATOM 1966 O LEU A 128 5.783 11.147 1.789 1.00 0.00 O ATOM 1967 CB LEU A 128 8.884 10.299 1.192 1.00 0.00 C ATOM 1968 CG LEU A 128 9.364 10.361 2.642 1.00 0.00 C ATOM 1969 CD1 LEU A 128 8.434 9.567 3.546 1.00 0.00 C ATOM 1970 CD2 LEU A 128 10.790 9.844 2.754 1.00 0.00 C ATOM 0 H LEU A 128 9.691 12.494 0.380 1.00 0.00 H new ATOM 0 HA LEU A 128 7.411 11.098 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 128 8.388 9.341 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.758 10.316 0.540 1.00 0.00 H new ATOM 0 HG LEU A 128 9.350 11.402 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 128 8.791 9.622 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.428 9.983 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.415 8.526 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.115 9.896 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.830 8.810 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 128 11.448 10.456 2.137 1.00 0.00 H new ATOM 1982 N TYR A 129 7.267 12.485 2.822 1.00 0.00 N ATOM 1983 CA TYR A 129 6.370 12.814 3.923 1.00 0.00 C ATOM 1984 C TYR A 129 5.159 13.598 3.423 1.00 0.00 C ATOM 1985 O TYR A 129 4.028 13.118 3.483 1.00 0.00 O ATOM 1986 CB TYR A 129 7.111 13.624 4.988 1.00 0.00 C ATOM 1987 CG TYR A 129 6.216 14.127 6.097 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.479 13.242 6.876 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.107 15.485 6.368 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.660 13.697 7.891 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.291 15.948 7.382 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.569 15.050 8.141 1.00 0.00 C ATOM 1993 OH TYR A 129 3.754 15.508 9.151 1.00 0.00 O ATOM 0 H TYR A 129 8.184 12.929 2.879 1.00 0.00 H new ATOM 0 HA TYR A 129 6.020 11.881 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.898 13.006 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.598 14.475 4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.548 12.181 6.684 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.670 16.191 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.093 12.996 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.219 17.007 7.580 1.00 0.00 H new ATOM 0 HH TYR A 129 3.806 16.486 9.195 1.00 0.00 H new ATOM 2003 N ALA A 130 5.407 14.807 2.930 1.00 0.00 N ATOM 2004 CA ALA A 130 4.339 15.656 2.417 1.00 0.00 C ATOM 2005 C ALA A 130 3.336 14.846 1.604 1.00 0.00 C ATOM 2006 O ALA A 130 2.130 15.088 1.670 1.00 0.00 O ATOM 2007 CB ALA A 130 4.920 16.781 1.573 1.00 0.00 C ATOM 0 H ALA A 130 6.338 15.220 2.875 1.00 0.00 H new ATOM 0 HA ALA A 130 3.812 16.089 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.112 17.408 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.592 17.384 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.473 16.358 0.734 1.00 0.00 H new ATOM 2013 N ALA A 131 3.840 13.883 0.839 1.00 0.00 N ATOM 2014 CA ALA A 131 2.987 13.037 0.014 1.00 0.00 C ATOM 2015 C ALA A 131 2.040 12.207 0.876 1.00 0.00 C ATOM 2016 O ALA A 131 0.838 12.472 0.928 1.00 0.00 O ATOM 2017 CB ALA A 131 3.835 12.130 -0.865 1.00 0.00 C ATOM 0 H ALA A 131 4.835 13.669 0.774 1.00 0.00 H new ATOM 0 HA ALA A 131 2.384 13.683 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 131 3.185 11.504 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.466 12.738 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.462 11.498 -0.237 1.00 0.00 H new ATOM 2023 N LEU A 132 2.589 11.202 1.550 1.00 0.00 N ATOM 2024 CA LEU A 132 1.792 10.332 2.408 1.00 0.00 C ATOM 2025 C LEU A 132 0.742 11.133 3.171 1.00 0.00 C ATOM 2026 O LEU A 132 -0.458 10.990 2.931 1.00 0.00 O ATOM 2027 CB LEU A 132 2.696 9.589 3.393 1.00 0.00 C ATOM 2028 CG LEU A 132 3.273 8.260 2.903 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.139 8.475 1.672 1.00 0.00 C ATOM 2030 CD2 LEU A 132 4.072 7.586 4.009 1.00 0.00 C ATOM 0 H LEU A 132 3.582 10.970 1.519 1.00 0.00 H new ATOM 0 HA LEU A 132 1.280 9.608 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.524 10.245 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.129 9.402 4.305 1.00 0.00 H new ATOM 0 HG LEU A 132 2.446 7.605 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.541 7.518 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.537 8.914 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 132 4.961 9.147 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.475 6.642 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.892 8.237 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.422 7.396 4.863 1.00 0.00 H new ATOM 2042 N HIS A 133 1.200 11.979 4.088 1.00 0.00 N ATOM 2043 CA HIS A 133 0.299 12.806 4.884 1.00 0.00 C ATOM 2044 C HIS A 133 -0.834 13.357 4.023 1.00 0.00 C ATOM 2045 O HIS A 133 -1.997 12.998 4.207 1.00 0.00 O ATOM 2046 CB HIS A 133 1.069 13.956 5.532 1.00 0.00 C ATOM 2047 CG HIS A 133 0.265 14.725 6.535 1.00 0.00 C ATOM 2048 ND1 HIS A 133 0.410 16.081 6.737 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -0.700 14.320 7.394 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.428 16.476 7.678 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.114 15.427 8.093 1.00 0.00 N ATOM 0 H HIS A 133 2.189 12.110 4.299 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.133 12.182 5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.958 13.557 6.020 1.00 0.00 H new ATOM 0 HB3 HIS A 133 1.411 14.638 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -1.074 13.313 7.508 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.534 17.486 8.046 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -1.834 15.437 8.815 1.00 0.00 H new ATOM 2059 N HIS A 134 -0.487 14.231 3.084 1.00 0.00 N ATOM 2060 CA HIS A 134 -1.474 14.832 2.196 1.00 0.00 C ATOM 2061 C HIS A 134 -2.461 13.783 1.692 1.00 0.00 C ATOM 2062 O HIS A 134 -3.676 13.963 1.786 1.00 0.00 O ATOM 2063 CB HIS A 134 -0.783 15.508 1.012 1.00 0.00 C ATOM 2064 CG HIS A 134 -1.714 15.848 -0.111 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -2.457 17.010 -0.148 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.019 15.172 -1.243 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.180 17.033 -1.253 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -2.932 15.929 -1.936 1.00 0.00 N ATOM 0 H HIS A 134 0.471 14.539 2.919 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.025 15.583 2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.296 16.420 1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 134 0.001 14.851 0.636 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -1.619 14.215 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -3.858 17.820 -1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -3.351 15.680 -2.832 1.00 0.00 H new ATOM 2076 N ARG A 135 -1.932 12.689 1.156 1.00 0.00 N ATOM 2077 CA ARG A 135 -2.767 11.612 0.637 1.00 0.00 C ATOM 2078 C ARG A 135 -3.854 11.235 1.638 1.00 0.00 C ATOM 2079 O ARG A 135 -4.957 10.843 1.254 1.00 0.00 O ATOM 2080 CB ARG A 135 -1.910 10.386 0.310 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.815 10.662 -0.707 1.00 0.00 C ATOM 2082 CD ARG A 135 -1.299 10.415 -2.128 1.00 0.00 C ATOM 2083 NE ARG A 135 -1.904 11.608 -2.714 1.00 0.00 N ATOM 2084 CZ ARG A 135 -2.078 11.777 -4.020 1.00 0.00 C ATOM 2085 NH1 ARG A 135 -1.695 10.834 -4.870 1.00 0.00 N ATOM 2086 NH2 ARG A 135 -2.636 12.890 -4.477 1.00 0.00 N ATOM 0 H ARG A 135 -0.929 12.524 1.069 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.246 11.966 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.456 10.015 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.555 9.593 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.479 11.694 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 135 0.045 10.026 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -0.461 10.093 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.026 9.603 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 135 -2.210 12.352 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.266 9.977 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -1.830 10.966 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -2.932 13.617 -3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -2.769 13.019 -5.480 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.535 11.354 2.922 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.485 11.026 3.978 1.00 0.00 C ATOM 2102 C ILE A 136 -5.539 12.119 4.128 1.00 0.00 C ATOM 2103 O ILE A 136 -6.740 11.849 4.080 1.00 0.00 O ATOM 2104 CB ILE A 136 -3.777 10.822 5.329 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -2.447 10.094 5.128 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -4.672 10.047 6.286 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -2.544 8.902 4.201 1.00 0.00 C ATOM 0 H ILE A 136 -2.626 11.675 3.256 1.00 0.00 H new ATOM 0 HA ILE A 136 -4.970 10.094 3.688 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.572 11.800 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.715 10.796 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -2.074 9.761 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -4.157 9.911 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.596 10.602 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.905 9.072 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.564 8.435 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -3.252 8.180 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -2.886 9.231 3.220 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.082 13.352 4.309 1.00 0.00 N ATOM 2120 CA LEU A 137 -5.984 14.488 4.465 1.00 0.00 C ATOM 2121 C LEU A 137 -7.179 14.367 3.525 1.00 0.00 C ATOM 2122 O LEU A 137 -8.304 14.712 3.885 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.240 15.797 4.196 1.00 0.00 C ATOM 2124 CG LEU A 137 -3.925 15.988 4.953 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.314 17.342 4.626 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.147 15.850 6.452 1.00 0.00 C ATOM 0 H LEU A 137 -4.091 13.592 4.352 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.351 14.490 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.034 15.862 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -5.903 16.626 4.444 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.229 15.211 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.379 17.461 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.118 17.404 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.006 18.133 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.200 15.989 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.860 16.605 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.540 14.857 6.672 1.00 0.00 H new ATOM 2138 N ALA A 138 -6.927 13.872 2.316 1.00 0.00 N ATOM 2139 CA ALA A 138 -7.981 13.701 1.325 1.00 0.00 C ATOM 2140 C ALA A 138 -8.989 12.647 1.772 1.00 0.00 C ATOM 2141 O ALA A 138 -10.195 12.803 1.577 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.384 13.327 -0.023 1.00 0.00 C ATOM 0 H ALA A 138 -6.001 13.583 2.001 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.508 14.650 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.184 13.203 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -6.710 14.117 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -6.830 12.393 0.071 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.486 11.572 2.370 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.342 10.490 2.843 1.00 0.00 C ATOM 2150 C LEU A 139 -10.122 10.915 4.084 1.00 0.00 C ATOM 2151 O LEU A 139 -11.333 10.711 4.168 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.504 9.249 3.154 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.273 9.032 2.273 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -6.569 7.737 2.648 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -7.666 9.020 0.802 1.00 0.00 C ATOM 0 H LEU A 139 -7.491 11.427 2.539 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.054 10.252 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.177 9.307 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.145 8.372 3.070 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.582 9.858 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -5.696 7.600 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.254 7.783 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.253 6.899 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.778 8.865 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.377 8.214 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.125 9.973 0.540 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.419 11.508 5.043 1.00 0.00 N ATOM 2168 CA ARG A 140 -10.045 11.963 6.279 1.00 0.00 C ATOM 2169 C ARG A 140 -11.137 12.988 5.990 1.00 0.00 C ATOM 2170 O ARG A 140 -12.214 12.947 6.585 1.00 0.00 O ATOM 2171 CB ARG A 140 -8.997 12.569 7.214 1.00 0.00 C ATOM 2172 CG ARG A 140 -7.602 11.997 7.017 1.00 0.00 C ATOM 2173 CD ARG A 140 -6.720 12.251 8.230 1.00 0.00 C ATOM 2174 NE ARG A 140 -7.204 11.550 9.416 1.00 0.00 N ATOM 2175 CZ ARG A 140 -6.918 11.923 10.658 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -6.154 12.985 10.876 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -7.397 11.234 11.686 1.00 0.00 N ATOM 0 H ARG A 140 -8.416 11.685 4.988 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.500 11.100 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.964 13.647 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.305 12.405 8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.670 10.925 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -7.146 12.444 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.701 11.931 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.681 13.321 8.432 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.794 10.729 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.784 13.518 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -5.936 13.269 11.831 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.985 10.417 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -7.177 11.521 12.640 1.00 0.00 H new ATOM 2191 N SER A 141 -10.852 13.907 5.072 1.00 0.00 N ATOM 2192 CA SER A 141 -11.807 14.945 4.706 1.00 0.00 C ATOM 2193 C SER A 141 -13.134 14.333 4.268 1.00 0.00 C ATOM 2194 O SER A 141 -14.186 14.963 4.372 1.00 0.00 O ATOM 2195 CB SER A 141 -11.240 15.819 3.586 1.00 0.00 C ATOM 2196 OG SER A 141 -10.425 16.853 4.108 1.00 0.00 O ATOM 0 H SER A 141 -9.966 13.953 4.568 1.00 0.00 H new ATOM 0 HA SER A 141 -11.986 15.565 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.657 15.204 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 141 -12.057 16.252 3.010 1.00 0.00 H new ATOM 0 HG SER A 141 -9.510 16.521 4.225 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.075 13.099 3.776 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.269 12.400 3.319 1.00 0.00 C ATOM 2204 C ARG A 142 -15.171 12.038 4.496 1.00 0.00 C ATOM 2205 O ARG A 142 -16.394 12.144 4.411 1.00 0.00 O ATOM 2206 CB ARG A 142 -13.884 11.136 2.550 1.00 0.00 C ATOM 2207 CG ARG A 142 -12.755 11.349 1.555 1.00 0.00 C ATOM 2208 CD ARG A 142 -12.769 10.292 0.461 1.00 0.00 C ATOM 2209 NE ARG A 142 -11.579 10.361 -0.381 1.00 0.00 N ATOM 2210 CZ ARG A 142 -11.359 11.329 -1.265 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -12.243 12.305 -1.419 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -10.251 11.322 -1.996 1.00 0.00 N ATOM 0 H ARG A 142 -12.212 12.563 3.684 1.00 0.00 H new ATOM 0 HA ARG A 142 -14.818 13.067 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.590 10.364 3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -14.760 10.763 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -12.845 12.339 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -11.799 11.321 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.836 9.303 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.658 10.421 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 142 -10.878 9.626 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -13.095 12.315 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -12.071 13.046 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -9.568 10.574 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -10.083 12.065 -2.674 1.00 0.00 H new