USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 96 SER OG : rot 153:sc= 0.195 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0.701 USER MOD Set 1.3: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 115 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 99 SER OG : rot 171:sc= 0.417 USER MOD Set 3.2: A 118 THR OG1 : rot -67:sc= 0.879 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 34 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -7.16! C(o=-7.2!,f=-17!) USER MOD Single : A 42 SER OG : rot 180:sc=-0.000709 USER MOD Single : A 44 SER OG : rot 180:sc= -0.824 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 60:sc= 0.582 USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.15 USER MOD Single : A 57 GLN : amide:sc= -1.97 X(o=-2,f=-2.1!) USER MOD Single : A 58 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 64 TYR OH : rot -15:sc= -0.443 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0278 (180deg=-0.281) USER MOD Single : A 77 MET CE :methyl 158:sc= -0.0606 (180deg=-0.41) USER MOD Single : A 79 THR OG1 : rot -26:sc= 0.545 USER MOD Single : A 83 ASN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.95) USER MOD Single : A 101 GLN : amide:sc= -7.09! C(o=-7.1!,f=-13!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 146:sc= -4.4! (180deg=-6.75!) USER MOD Single : A 106 THR OG1 : rot 170:sc= -0.122 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 150:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.391 17.148 8.510 1.00 0.00 N ATOM 340 CA VAL A 27 0.182 15.754 8.882 1.00 0.00 C ATOM 341 C VAL A 27 -0.880 15.628 9.968 1.00 0.00 C ATOM 342 O VAL A 27 -1.088 16.534 10.776 1.00 0.00 O ATOM 343 CB VAL A 27 1.487 15.103 9.376 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.555 15.157 8.294 1.00 0.00 C ATOM 345 CG2 VAL A 27 1.971 15.781 10.649 1.00 0.00 C ATOM 0 HA VAL A 27 -0.157 15.235 7.986 1.00 0.00 H new ATOM 0 HB VAL A 27 1.287 14.056 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.470 14.692 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.206 14.622 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.756 16.196 8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.894 15.309 10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.155 16.837 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.211 15.684 11.424 1.00 0.00 H new ATOM 355 N PRO A 28 -1.569 14.477 9.991 1.00 0.00 N ATOM 356 CA PRO A 28 -2.621 14.204 10.975 1.00 0.00 C ATOM 357 C PRO A 28 -2.064 14.013 12.382 1.00 0.00 C ATOM 358 O PRO A 28 -0.869 13.776 12.559 1.00 0.00 O ATOM 359 CB PRO A 28 -3.252 12.905 10.469 1.00 0.00 C ATOM 360 CG PRO A 28 -2.175 12.243 9.680 1.00 0.00 C ATOM 361 CD PRO A 28 -1.374 13.354 9.059 1.00 0.00 C ATOM 0 HA PRO A 28 -3.325 15.032 11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.580 12.276 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.129 13.104 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.549 11.621 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.596 11.591 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.321 13.087 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.731 13.596 8.058 1.00 0.00 H new ATOM 369 N SER A 29 -2.937 14.117 13.379 1.00 0.00 N ATOM 370 CA SER A 29 -2.531 13.958 14.770 1.00 0.00 C ATOM 371 C SER A 29 -3.379 12.897 15.466 1.00 0.00 C ATOM 372 O SER A 29 -3.775 13.063 16.619 1.00 0.00 O ATOM 373 CB SER A 29 -2.649 15.290 15.513 1.00 0.00 C ATOM 374 OG SER A 29 -1.967 16.322 14.821 1.00 0.00 O ATOM 0 H SER A 29 -3.930 14.311 13.249 1.00 0.00 H new ATOM 0 HA SER A 29 -1.491 13.633 14.784 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.700 15.556 15.625 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.238 15.188 16.517 1.00 0.00 H new ATOM 0 HG SER A 29 -2.059 17.163 15.315 1.00 0.00 H new ATOM 380 N ALA A 30 -3.653 11.808 14.755 1.00 0.00 N ATOM 381 CA ALA A 30 -4.452 10.720 15.304 1.00 0.00 C ATOM 382 C ALA A 30 -4.458 9.517 14.366 1.00 0.00 C ATOM 383 O ALA A 30 -4.516 9.653 13.144 1.00 0.00 O ATOM 384 CB ALA A 30 -5.874 11.191 15.571 1.00 0.00 C ATOM 0 H ALA A 30 -3.334 11.656 13.798 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.001 10.411 16.247 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.459 10.368 15.981 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.857 12.014 16.285 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.327 11.529 14.639 1.00 0.00 H new ATOM 390 N PRO A 31 -4.396 8.311 14.949 1.00 0.00 N ATOM 391 CA PRO A 31 -4.394 7.061 14.184 1.00 0.00 C ATOM 392 C PRO A 31 -5.740 6.781 13.525 1.00 0.00 C ATOM 393 O PRO A 31 -6.748 7.423 13.820 1.00 0.00 O ATOM 394 CB PRO A 31 -4.085 5.998 15.241 1.00 0.00 C ATOM 395 CG PRO A 31 -4.553 6.593 16.524 1.00 0.00 C ATOM 396 CD PRO A 31 -4.325 8.074 16.401 1.00 0.00 C ATOM 0 HA PRO A 31 -3.677 7.088 13.364 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.603 5.063 15.026 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.019 5.771 15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.607 6.373 16.695 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.001 6.182 17.369 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.083 8.643 16.939 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.358 8.367 16.809 1.00 0.00 H new ATOM 404 N PRO A 32 -5.760 5.801 12.610 1.00 0.00 N ATOM 405 CA PRO A 32 -6.977 5.414 11.890 1.00 0.00 C ATOM 406 C PRO A 32 -7.991 4.723 12.796 1.00 0.00 C ATOM 407 O PRO A 32 -7.700 4.428 13.955 1.00 0.00 O ATOM 408 CB PRO A 32 -6.465 4.443 10.823 1.00 0.00 C ATOM 409 CG PRO A 32 -5.204 3.888 11.390 1.00 0.00 C ATOM 410 CD PRO A 32 -4.596 4.994 12.208 1.00 0.00 C ATOM 0 HA PRO A 32 -7.502 6.278 11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.191 3.654 10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.283 4.954 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.406 3.012 12.007 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.526 3.571 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.059 4.605 13.073 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.883 5.579 11.626 1.00 0.00 H new ATOM 418 N GLN A 33 -9.180 4.468 12.260 1.00 0.00 N ATOM 419 CA GLN A 33 -10.236 3.812 13.021 1.00 0.00 C ATOM 420 C GLN A 33 -10.658 2.507 12.353 1.00 0.00 C ATOM 421 O GLN A 33 -10.280 2.230 11.216 1.00 0.00 O ATOM 422 CB GLN A 33 -11.443 4.740 13.163 1.00 0.00 C ATOM 423 CG GLN A 33 -11.199 5.918 14.092 1.00 0.00 C ATOM 424 CD GLN A 33 -12.374 6.876 14.142 1.00 0.00 C ATOM 425 OE1 GLN A 33 -13.253 6.754 14.995 1.00 0.00 O ATOM 426 NE2 GLN A 33 -12.394 7.836 13.225 1.00 0.00 N ATOM 0 H GLN A 33 -9.436 4.706 11.302 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.846 3.582 14.012 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.719 5.116 12.178 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.291 4.165 13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.995 5.547 15.096 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.310 6.456 13.764 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.644 7.899 12.537 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.159 8.510 13.209 1.00 0.00 H new ATOM 435 N ASN A 34 -11.444 1.709 13.069 1.00 0.00 N ATOM 436 CA ASN A 34 -11.918 0.433 12.546 1.00 0.00 C ATOM 437 C ASN A 34 -10.748 -0.436 12.093 1.00 0.00 C ATOM 438 O ASN A 34 -10.807 -1.077 11.043 1.00 0.00 O ATOM 439 CB ASN A 34 -12.880 0.662 11.378 1.00 0.00 C ATOM 440 CG ASN A 34 -14.306 0.886 11.840 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.601 1.864 12.528 1.00 0.00 O ATOM 442 ND2 ASN A 34 -15.200 -0.021 11.463 1.00 0.00 N ATOM 0 H ASN A 34 -11.766 1.924 14.013 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.446 -0.086 13.346 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.548 1.525 10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.848 -0.199 10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.176 0.077 11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.911 -0.816 10.893 1.00 0.00 H new ATOM 449 N VAL A 35 -9.687 -0.454 12.892 1.00 0.00 N ATOM 450 CA VAL A 35 -8.504 -1.245 12.576 1.00 0.00 C ATOM 451 C VAL A 35 -8.532 -2.588 13.297 1.00 0.00 C ATOM 452 O VAL A 35 -8.092 -2.699 14.442 1.00 0.00 O ATOM 453 CB VAL A 35 -7.211 -0.499 12.954 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.991 -1.358 12.657 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.129 0.830 12.218 1.00 0.00 C ATOM 0 H VAL A 35 -9.622 0.071 13.764 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.515 -1.413 11.499 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.230 -0.296 14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.087 -0.814 12.931 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.047 -2.281 13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.963 -1.595 11.594 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.209 1.344 12.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.133 0.651 11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.986 1.448 12.486 1.00 0.00 H new ATOM 465 N SER A 36 -9.052 -3.607 12.620 1.00 0.00 N ATOM 466 CA SER A 36 -9.140 -4.943 13.198 1.00 0.00 C ATOM 467 C SER A 36 -8.603 -5.991 12.227 1.00 0.00 C ATOM 468 O SER A 36 -8.342 -5.697 11.060 1.00 0.00 O ATOM 469 CB SER A 36 -10.590 -5.267 13.565 1.00 0.00 C ATOM 470 OG SER A 36 -11.056 -4.417 14.598 1.00 0.00 O ATOM 0 H SER A 36 -9.419 -3.533 11.671 1.00 0.00 H new ATOM 0 HA SER A 36 -8.530 -4.963 14.101 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.224 -5.157 12.685 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.664 -6.307 13.884 1.00 0.00 H new ATOM 0 HG SER A 36 -11.985 -4.643 14.813 1.00 0.00 H new ATOM 476 N LEU A 37 -8.441 -7.214 12.719 1.00 0.00 N ATOM 477 CA LEU A 37 -7.935 -8.308 11.897 1.00 0.00 C ATOM 478 C LEU A 37 -8.936 -9.457 11.843 1.00 0.00 C ATOM 479 O LEU A 37 -9.681 -9.688 12.795 1.00 0.00 O ATOM 480 CB LEU A 37 -6.597 -8.807 12.445 1.00 0.00 C ATOM 481 CG LEU A 37 -5.466 -7.780 12.493 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.226 -8.380 13.138 1.00 0.00 C ATOM 483 CD2 LEU A 37 -5.147 -7.272 11.094 1.00 0.00 C ATOM 0 H LEU A 37 -8.652 -7.473 13.683 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.788 -7.931 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.759 -9.186 13.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.270 -9.650 11.836 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.794 -6.936 13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.432 -7.634 13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.461 -8.694 14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.896 -9.242 12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.340 -6.542 11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.840 -8.107 10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.033 -6.803 10.667 1.00 0.00 H new ATOM 495 N GLU A 38 -8.946 -10.176 10.724 1.00 0.00 N ATOM 496 CA GLU A 38 -9.855 -11.302 10.548 1.00 0.00 C ATOM 497 C GLU A 38 -9.242 -12.358 9.632 1.00 0.00 C ATOM 498 O GLU A 38 -9.084 -12.138 8.431 1.00 0.00 O ATOM 499 CB GLU A 38 -11.189 -10.824 9.972 1.00 0.00 C ATOM 500 CG GLU A 38 -12.302 -11.853 10.078 1.00 0.00 C ATOM 501 CD GLU A 38 -13.636 -11.322 9.590 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.711 -10.894 8.419 1.00 0.00 O ATOM 503 OE2 GLU A 38 -14.604 -11.335 10.378 1.00 0.00 O ATOM 0 H GLU A 38 -8.335 -9.998 9.927 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.030 -11.751 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.495 -9.916 10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.049 -10.560 8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.032 -12.735 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.400 -12.171 11.116 1.00 0.00 H new ATOM 510 N VAL A 39 -8.898 -13.505 10.209 1.00 0.00 N ATOM 511 CA VAL A 39 -8.303 -14.596 9.446 1.00 0.00 C ATOM 512 C VAL A 39 -9.366 -15.372 8.677 1.00 0.00 C ATOM 513 O VAL A 39 -10.211 -16.044 9.270 1.00 0.00 O ATOM 514 CB VAL A 39 -7.535 -15.567 10.361 1.00 0.00 C ATOM 515 CG1 VAL A 39 -6.983 -16.735 9.557 1.00 0.00 C ATOM 516 CG2 VAL A 39 -6.419 -14.839 11.093 1.00 0.00 C ATOM 0 H VAL A 39 -9.021 -13.703 11.202 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.605 -14.145 8.740 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.228 -15.963 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.443 -17.411 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.805 -17.271 9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.305 -16.361 8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.887 -15.541 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.726 -14.413 10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.843 -14.040 11.702 1.00 0.00 H new ATOM 526 N VAL A 40 -9.319 -15.276 7.352 1.00 0.00 N ATOM 527 CA VAL A 40 -10.277 -15.971 6.500 1.00 0.00 C ATOM 528 C VAL A 40 -9.836 -17.406 6.234 1.00 0.00 C ATOM 529 O VAL A 40 -10.637 -18.337 6.310 1.00 0.00 O ATOM 530 CB VAL A 40 -10.462 -15.245 5.155 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.615 -15.855 4.372 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.687 -13.757 5.379 1.00 0.00 C ATOM 0 H VAL A 40 -8.627 -14.723 6.845 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.227 -15.979 7.034 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.552 -15.367 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.730 -15.329 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.407 -16.908 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.535 -15.766 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.816 -13.260 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.581 -13.611 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.826 -13.332 5.895 1.00 0.00 H new ATOM 542 N ASN A 41 -8.555 -17.578 5.922 1.00 0.00 N ATOM 543 CA ASN A 41 -8.007 -18.901 5.645 1.00 0.00 C ATOM 544 C ASN A 41 -6.638 -19.070 6.297 1.00 0.00 C ATOM 545 O ASN A 41 -6.136 -18.159 6.955 1.00 0.00 O ATOM 546 CB ASN A 41 -7.896 -19.123 4.135 1.00 0.00 C ATOM 547 CG ASN A 41 -9.078 -18.549 3.378 1.00 0.00 C ATOM 548 OD1 ASN A 41 -9.493 -17.415 3.619 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.626 -19.331 2.456 1.00 0.00 N ATOM 0 H ASN A 41 -7.878 -16.818 5.855 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.685 -19.644 6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.977 -18.665 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.822 -20.191 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.424 -18.999 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.249 -20.264 2.289 1.00 0.00 H new ATOM 556 N SER A 42 -6.040 -20.242 6.109 1.00 0.00 N ATOM 557 CA SER A 42 -4.730 -20.532 6.681 1.00 0.00 C ATOM 558 C SER A 42 -3.652 -19.667 6.036 1.00 0.00 C ATOM 559 O SER A 42 -2.728 -19.205 6.706 1.00 0.00 O ATOM 560 CB SER A 42 -4.389 -22.012 6.501 1.00 0.00 C ATOM 561 OG SER A 42 -4.172 -22.323 5.136 1.00 0.00 O ATOM 0 H SER A 42 -6.441 -21.006 5.565 1.00 0.00 H new ATOM 0 HA SER A 42 -4.766 -20.302 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.498 -22.256 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.200 -22.626 6.892 1.00 0.00 H new ATOM 0 HG SER A 42 -3.954 -23.274 5.048 1.00 0.00 H new ATOM 567 N ARG A 43 -3.776 -19.453 4.730 1.00 0.00 N ATOM 568 CA ARG A 43 -2.812 -18.646 3.993 1.00 0.00 C ATOM 569 C ARG A 43 -3.489 -17.432 3.362 1.00 0.00 C ATOM 570 O ARG A 43 -3.120 -17.000 2.270 1.00 0.00 O ATOM 571 CB ARG A 43 -2.135 -19.485 2.908 1.00 0.00 C ATOM 572 CG ARG A 43 -3.102 -20.342 2.108 1.00 0.00 C ATOM 573 CD ARG A 43 -2.408 -21.022 0.938 1.00 0.00 C ATOM 574 NE ARG A 43 -1.563 -22.131 1.374 1.00 0.00 N ATOM 575 CZ ARG A 43 -0.998 -22.996 0.539 1.00 0.00 C ATOM 576 NH1 ARG A 43 -1.186 -22.880 -0.769 1.00 0.00 N ATOM 577 NH2 ARG A 43 -0.243 -23.980 1.011 1.00 0.00 N ATOM 0 H ARG A 43 -4.535 -19.828 4.161 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.057 -18.296 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.602 -18.821 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.389 -20.131 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.545 -21.097 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.918 -19.722 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.157 -21.390 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.801 -20.292 0.402 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.398 -22.247 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.766 -22.125 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.751 -23.546 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.096 -24.073 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.190 -24.643 0.369 1.00 0.00 H new ATOM 591 N SER A 44 -4.481 -16.886 4.058 1.00 0.00 N ATOM 592 CA SER A 44 -5.213 -15.725 3.565 1.00 0.00 C ATOM 593 C SER A 44 -5.774 -14.905 4.723 1.00 0.00 C ATOM 594 O SER A 44 -6.370 -15.450 5.652 1.00 0.00 O ATOM 595 CB SER A 44 -6.348 -16.166 2.640 1.00 0.00 C ATOM 596 OG SER A 44 -5.913 -17.174 1.744 1.00 0.00 O ATOM 0 H SER A 44 -4.796 -17.229 4.965 1.00 0.00 H new ATOM 0 HA SER A 44 -4.519 -15.100 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.182 -16.539 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.716 -15.309 2.077 1.00 0.00 H new ATOM 0 HG SER A 44 -6.657 -17.440 1.165 1.00 0.00 H new ATOM 602 N ILE A 45 -5.579 -13.592 4.659 1.00 0.00 N ATOM 603 CA ILE A 45 -6.066 -12.696 5.700 1.00 0.00 C ATOM 604 C ILE A 45 -6.488 -11.352 5.116 1.00 0.00 C ATOM 605 O ILE A 45 -5.768 -10.758 4.313 1.00 0.00 O ATOM 606 CB ILE A 45 -4.999 -12.460 6.784 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.620 -13.782 7.455 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.503 -11.461 7.816 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.355 -13.700 8.281 1.00 0.00 C ATOM 0 H ILE A 45 -5.087 -13.125 3.897 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.931 -13.180 6.153 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.108 -12.046 6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.442 -14.104 8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.495 -14.546 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.737 -11.305 8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.727 -10.513 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.407 -11.848 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.148 -14.673 8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.521 -13.409 7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.483 -12.959 9.070 1.00 0.00 H new ATOM 621 N LYS A 46 -7.659 -10.877 5.525 1.00 0.00 N ATOM 622 CA LYS A 46 -8.177 -9.601 5.045 1.00 0.00 C ATOM 623 C LYS A 46 -8.056 -8.526 6.121 1.00 0.00 C ATOM 624 O LYS A 46 -8.569 -8.682 7.229 1.00 0.00 O ATOM 625 CB LYS A 46 -9.640 -9.748 4.619 1.00 0.00 C ATOM 626 CG LYS A 46 -10.090 -8.698 3.619 1.00 0.00 C ATOM 627 CD LYS A 46 -11.587 -8.449 3.707 1.00 0.00 C ATOM 628 CE LYS A 46 -12.106 -7.730 2.472 1.00 0.00 C ATOM 629 NZ LYS A 46 -13.496 -7.230 2.665 1.00 0.00 N ATOM 0 H LYS A 46 -8.268 -11.356 6.188 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.583 -9.297 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.786 -10.737 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.275 -9.691 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.554 -7.767 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.833 -9.021 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.109 -9.399 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.807 -7.855 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.449 -6.893 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.079 -8.408 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.814 -6.746 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.128 -8.031 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.518 -6.564 3.463 1.00 0.00 H new ATOM 643 N VAL A 47 -7.376 -7.434 5.786 1.00 0.00 N ATOM 644 CA VAL A 47 -7.190 -6.332 6.723 1.00 0.00 C ATOM 645 C VAL A 47 -8.030 -5.124 6.323 1.00 0.00 C ATOM 646 O VAL A 47 -7.896 -4.600 5.217 1.00 0.00 O ATOM 647 CB VAL A 47 -5.711 -5.910 6.807 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.558 -4.671 7.675 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.861 -7.053 7.340 1.00 0.00 C ATOM 0 H VAL A 47 -6.945 -7.289 4.873 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.514 -6.689 7.701 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.363 -5.666 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.507 -4.388 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.135 -3.852 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.922 -4.884 8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.819 -6.738 7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.207 -7.330 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.947 -7.912 6.674 1.00 0.00 H new ATOM 659 N SER A 48 -8.896 -4.685 7.231 1.00 0.00 N ATOM 660 CA SER A 48 -9.761 -3.540 6.972 1.00 0.00 C ATOM 661 C SER A 48 -9.331 -2.336 7.804 1.00 0.00 C ATOM 662 O SER A 48 -8.543 -2.465 8.742 1.00 0.00 O ATOM 663 CB SER A 48 -11.217 -3.894 7.281 1.00 0.00 C ATOM 664 OG SER A 48 -11.340 -4.469 8.570 1.00 0.00 O ATOM 0 H SER A 48 -9.017 -5.105 8.153 1.00 0.00 H new ATOM 0 HA SER A 48 -9.674 -3.281 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.833 -2.997 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.592 -4.591 6.531 1.00 0.00 H new ATOM 0 HG SER A 48 -12.280 -4.685 8.744 1.00 0.00 H new ATOM 670 N TRP A 49 -9.853 -1.166 7.454 1.00 0.00 N ATOM 671 CA TRP A 49 -9.524 0.062 8.168 1.00 0.00 C ATOM 672 C TRP A 49 -10.355 1.232 7.652 1.00 0.00 C ATOM 673 O TRP A 49 -11.053 1.113 6.644 1.00 0.00 O ATOM 674 CB TRP A 49 -8.034 0.377 8.024 1.00 0.00 C ATOM 675 CG TRP A 49 -7.639 0.753 6.628 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.686 1.999 6.071 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.138 -0.123 5.613 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.245 1.950 4.771 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.902 0.659 4.466 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.865 -1.493 5.562 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.407 0.116 3.283 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.374 -2.031 4.387 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.149 -1.228 3.261 1.00 0.00 C ATOM 0 H TRP A 49 -10.506 -1.042 6.680 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.757 -0.088 9.222 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.775 1.193 8.699 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.454 -0.492 8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.021 2.892 6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.183 2.746 4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.035 -2.120 6.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.233 0.733 2.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.160 -3.088 4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.764 -1.678 2.358 1.00 0.00 H new ATOM 694 N LEU A 50 -10.276 2.361 8.347 1.00 0.00 N ATOM 695 CA LEU A 50 -11.021 3.553 7.958 1.00 0.00 C ATOM 696 C LEU A 50 -10.215 4.816 8.242 1.00 0.00 C ATOM 697 O LEU A 50 -9.320 4.834 9.088 1.00 0.00 O ATOM 698 CB LEU A 50 -12.357 3.608 8.701 1.00 0.00 C ATOM 699 CG LEU A 50 -13.452 2.674 8.185 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.625 2.641 9.153 1.00 0.00 C ATOM 701 CD2 LEU A 50 -13.913 3.107 6.801 1.00 0.00 C ATOM 0 H LEU A 50 -9.703 2.476 9.183 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.211 3.499 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.176 3.377 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.731 4.631 8.660 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.040 1.668 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.395 1.971 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.285 2.284 10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.037 3.644 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.692 2.431 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.308 4.122 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.070 3.079 6.111 1.00 0.00 H new ATOM 713 N PRO A 51 -10.539 5.900 7.521 1.00 0.00 N ATOM 714 CA PRO A 51 -9.859 7.189 7.680 1.00 0.00 C ATOM 715 C PRO A 51 -10.185 7.856 9.012 1.00 0.00 C ATOM 716 O PRO A 51 -11.143 7.495 9.696 1.00 0.00 O ATOM 717 CB PRO A 51 -10.403 8.022 6.517 1.00 0.00 C ATOM 718 CG PRO A 51 -11.730 7.420 6.207 1.00 0.00 C ATOM 719 CD PRO A 51 -11.595 5.951 6.496 1.00 0.00 C ATOM 0 HA PRO A 51 -8.774 7.081 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.500 9.072 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.738 7.979 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.514 7.868 6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.002 7.590 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.530 5.526 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.316 5.390 5.604 1.00 0.00 H new ATOM 727 N PRO A 52 -9.372 8.853 9.390 1.00 0.00 N ATOM 728 CA PRO A 52 -9.555 9.592 10.642 1.00 0.00 C ATOM 729 C PRO A 52 -10.793 10.482 10.615 1.00 0.00 C ATOM 730 O PRO A 52 -11.421 10.680 9.575 1.00 0.00 O ATOM 731 CB PRO A 52 -8.287 10.444 10.740 1.00 0.00 C ATOM 732 CG PRO A 52 -7.830 10.607 9.331 1.00 0.00 C ATOM 733 CD PRO A 52 -8.211 9.336 8.623 1.00 0.00 C ATOM 0 HA PRO A 52 -9.703 8.924 11.491 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.493 11.409 11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.527 9.954 11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.304 11.471 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.753 10.771 9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.467 9.519 7.579 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.396 8.612 8.630 1.00 0.00 H new ATOM 741 N PRO A 53 -11.154 11.032 11.784 1.00 0.00 N ATOM 742 CA PRO A 53 -12.319 11.910 11.919 1.00 0.00 C ATOM 743 C PRO A 53 -12.112 13.258 11.237 1.00 0.00 C ATOM 744 O PRO A 53 -10.978 13.696 11.039 1.00 0.00 O ATOM 745 CB PRO A 53 -12.452 12.092 13.433 1.00 0.00 C ATOM 746 CG PRO A 53 -11.079 11.866 13.964 1.00 0.00 C ATOM 747 CD PRO A 53 -10.451 10.839 13.063 1.00 0.00 C ATOM 0 HA PRO A 53 -13.205 11.486 11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.813 13.090 13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.162 11.381 13.856 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.503 12.791 13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.112 11.513 14.995 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.378 10.998 12.960 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.588 9.829 13.448 1.00 0.00 H new ATOM 755 N SER A 54 -13.213 13.912 10.880 1.00 0.00 N ATOM 756 CA SER A 54 -13.151 15.209 10.217 1.00 0.00 C ATOM 757 C SER A 54 -12.795 16.311 11.211 1.00 0.00 C ATOM 758 O SER A 54 -13.547 17.269 11.388 1.00 0.00 O ATOM 759 CB SER A 54 -14.488 15.526 9.544 1.00 0.00 C ATOM 760 OG SER A 54 -15.517 15.686 10.505 1.00 0.00 O ATOM 0 H SER A 54 -14.159 13.565 11.039 1.00 0.00 H new ATOM 0 HA SER A 54 -12.371 15.164 9.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.394 16.436 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.751 14.724 8.855 1.00 0.00 H new ATOM 0 HG SER A 54 -15.290 16.425 11.108 1.00 0.00 H new ATOM 766 N GLY A 55 -11.643 16.167 11.858 1.00 0.00 N ATOM 767 CA GLY A 55 -11.207 17.156 12.826 1.00 0.00 C ATOM 768 C GLY A 55 -9.701 17.173 12.999 1.00 0.00 C ATOM 769 O GLY A 55 -9.101 18.232 13.184 1.00 0.00 O ATOM 0 H GLY A 55 -11.004 15.383 11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.544 18.143 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.678 16.951 13.787 1.00 0.00 H new ATOM 773 N THR A 56 -9.087 15.995 12.942 1.00 0.00 N ATOM 774 CA THR A 56 -7.642 15.878 13.097 1.00 0.00 C ATOM 775 C THR A 56 -6.931 16.041 11.758 1.00 0.00 C ATOM 776 O THR A 56 -6.004 16.841 11.632 1.00 0.00 O ATOM 777 CB THR A 56 -7.251 14.521 13.711 1.00 0.00 C ATOM 778 OG1 THR A 56 -7.734 13.453 12.888 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.817 14.380 15.117 1.00 0.00 C ATOM 0 H THR A 56 -9.568 15.109 12.790 1.00 0.00 H new ATOM 0 HA THR A 56 -7.330 16.676 13.771 1.00 0.00 H new ATOM 0 HB THR A 56 -6.164 14.473 13.767 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.772 12.627 13.413 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.528 13.414 15.530 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.425 15.177 15.749 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.904 14.448 15.080 1.00 0.00 H new ATOM 787 N GLN A 57 -7.370 15.277 10.763 1.00 0.00 N ATOM 788 CA GLN A 57 -6.774 15.338 9.434 1.00 0.00 C ATOM 789 C GLN A 57 -7.104 16.660 8.749 1.00 0.00 C ATOM 790 O GLN A 57 -8.256 17.092 8.735 1.00 0.00 O ATOM 791 CB GLN A 57 -7.266 14.170 8.577 1.00 0.00 C ATOM 792 CG GLN A 57 -8.780 14.076 8.489 1.00 0.00 C ATOM 793 CD GLN A 57 -9.252 13.469 7.182 1.00 0.00 C ATOM 794 OE1 GLN A 57 -9.029 14.029 6.108 1.00 0.00 O ATOM 795 NE2 GLN A 57 -9.907 12.318 7.266 1.00 0.00 N ATOM 0 H GLN A 57 -8.136 14.609 10.852 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.692 15.268 9.546 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.857 14.271 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.876 13.239 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.152 13.476 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.209 15.072 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.070 11.889 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.248 11.862 6.420 1.00 0.00 H new ATOM 804 N ASN A 58 -6.085 17.298 8.183 1.00 0.00 N ATOM 805 CA ASN A 58 -6.267 18.572 7.497 1.00 0.00 C ATOM 806 C ASN A 58 -6.452 18.361 5.997 1.00 0.00 C ATOM 807 O ASN A 58 -7.395 18.877 5.399 1.00 0.00 O ATOM 808 CB ASN A 58 -5.068 19.488 7.750 1.00 0.00 C ATOM 809 CG ASN A 58 -5.114 20.748 6.908 1.00 0.00 C ATOM 810 OD1 ASN A 58 -5.705 21.752 7.305 1.00 0.00 O ATOM 811 ND2 ASN A 58 -4.488 20.700 5.737 1.00 0.00 N ATOM 0 H ASN A 58 -5.125 16.954 8.186 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.166 19.044 7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.039 19.760 8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.148 18.945 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.485 21.517 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.011 19.846 5.448 1.00 0.00 H new ATOM 818 N GLY A 59 -5.544 17.598 5.396 1.00 0.00 N ATOM 819 CA GLY A 59 -5.625 17.332 3.972 1.00 0.00 C ATOM 820 C GLY A 59 -6.567 16.189 3.649 1.00 0.00 C ATOM 821 O GLY A 59 -6.691 15.239 4.422 1.00 0.00 O ATOM 0 H GLY A 59 -4.754 17.160 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.960 18.232 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.631 17.098 3.592 1.00 0.00 H new ATOM 825 N PHE A 60 -7.234 16.280 2.503 1.00 0.00 N ATOM 826 CA PHE A 60 -8.172 15.247 2.080 1.00 0.00 C ATOM 827 C PHE A 60 -7.461 13.909 1.897 1.00 0.00 C ATOM 828 O PHE A 60 -6.733 13.709 0.924 1.00 0.00 O ATOM 829 CB PHE A 60 -8.860 15.655 0.776 1.00 0.00 C ATOM 830 CG PHE A 60 -7.910 16.175 -0.265 1.00 0.00 C ATOM 831 CD1 PHE A 60 -7.516 17.503 -0.260 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.410 15.336 -1.248 1.00 0.00 C ATOM 833 CE1 PHE A 60 -6.643 17.985 -1.217 1.00 0.00 C ATOM 834 CE2 PHE A 60 -6.536 15.811 -2.207 1.00 0.00 C ATOM 835 CZ PHE A 60 -6.151 17.137 -2.191 1.00 0.00 C ATOM 0 H PHE A 60 -7.142 17.059 1.851 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.926 15.134 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.394 14.795 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.605 16.421 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.895 18.169 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.707 14.298 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.346 19.023 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.155 15.146 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.467 17.511 -2.938 1.00 0.00 H new ATOM 845 N ILE A 61 -7.678 12.997 2.838 1.00 0.00 N ATOM 846 CA ILE A 61 -7.059 11.678 2.781 1.00 0.00 C ATOM 847 C ILE A 61 -6.946 11.186 1.342 1.00 0.00 C ATOM 848 O ILE A 61 -7.948 11.059 0.637 1.00 0.00 O ATOM 849 CB ILE A 61 -7.853 10.647 3.604 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.905 11.066 5.074 1.00 0.00 C ATOM 851 CG2 ILE A 61 -7.232 9.265 3.462 1.00 0.00 C ATOM 852 CD1 ILE A 61 -6.583 10.908 5.794 1.00 0.00 C ATOM 0 H ILE A 61 -8.278 13.147 3.649 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.061 11.779 3.207 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.873 10.606 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.221 12.107 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.662 10.472 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.804 8.547 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.243 8.967 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.203 9.290 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.694 11.224 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.275 9.863 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.827 11.524 5.306 1.00 0.00 H new ATOM 864 N THR A 62 -5.719 10.908 0.911 1.00 0.00 N ATOM 865 CA THR A 62 -5.475 10.429 -0.443 1.00 0.00 C ATOM 866 C THR A 62 -5.386 8.908 -0.480 1.00 0.00 C ATOM 867 O THR A 62 -5.989 8.262 -1.336 1.00 0.00 O ATOM 868 CB THR A 62 -4.177 11.022 -1.023 1.00 0.00 C ATOM 869 OG1 THR A 62 -3.064 10.670 -0.194 1.00 0.00 O ATOM 870 CG2 THR A 62 -4.276 12.537 -1.132 1.00 0.00 C ATOM 0 H THR A 62 -4.879 11.007 1.481 1.00 0.00 H new ATOM 0 HA THR A 62 -6.319 10.756 -1.051 1.00 0.00 H new ATOM 0 HB THR A 62 -4.030 10.610 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.243 11.049 -0.571 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.348 12.934 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.106 12.801 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.445 12.963 -0.143 1.00 0.00 H new ATOM 878 N GLY A 63 -4.629 8.341 0.455 1.00 0.00 N ATOM 879 CA GLY A 63 -4.476 6.899 0.511 1.00 0.00 C ATOM 880 C GLY A 63 -4.171 6.402 1.910 1.00 0.00 C ATOM 881 O GLY A 63 -4.434 7.095 2.893 1.00 0.00 O ATOM 0 H GLY A 63 -4.119 8.854 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.390 6.426 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.674 6.595 -0.162 1.00 0.00 H new ATOM 885 N TYR A 64 -3.617 5.198 2.001 1.00 0.00 N ATOM 886 CA TYR A 64 -3.280 4.608 3.291 1.00 0.00 C ATOM 887 C TYR A 64 -2.047 3.716 3.176 1.00 0.00 C ATOM 888 O TYR A 64 -1.847 3.039 2.168 1.00 0.00 O ATOM 889 CB TYR A 64 -4.460 3.798 3.829 1.00 0.00 C ATOM 890 CG TYR A 64 -5.773 4.547 3.796 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.452 4.748 2.600 1.00 0.00 C ATOM 892 CD2 TYR A 64 -6.337 5.052 4.961 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.651 5.433 2.566 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.536 5.736 4.937 1.00 0.00 C ATOM 895 CZ TYR A 64 -8.189 5.925 3.736 1.00 0.00 C ATOM 896 OH TYR A 64 -9.385 6.606 3.706 1.00 0.00 O ATOM 0 H TYR A 64 -3.392 4.612 1.197 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.057 5.418 3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.558 2.883 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.247 3.499 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.035 4.362 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.828 4.907 5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.164 5.582 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.960 6.121 5.853 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.594 6.860 2.783 1.00 0.00 H new ATOM 906 N LYS A 65 -1.223 3.721 4.218 1.00 0.00 N ATOM 907 CA LYS A 65 -0.009 2.912 4.239 1.00 0.00 C ATOM 908 C LYS A 65 -0.228 1.623 5.024 1.00 0.00 C ATOM 909 O LYS A 65 -0.908 1.618 6.051 1.00 0.00 O ATOM 910 CB LYS A 65 1.147 3.706 4.852 1.00 0.00 C ATOM 911 CG LYS A 65 2.513 3.103 4.574 1.00 0.00 C ATOM 912 CD LYS A 65 3.618 4.135 4.719 1.00 0.00 C ATOM 913 CE LYS A 65 3.808 4.933 3.438 1.00 0.00 C ATOM 914 NZ LYS A 65 4.660 4.207 2.455 1.00 0.00 N ATOM 0 H LYS A 65 -1.373 4.277 5.060 1.00 0.00 H new ATOM 0 HA LYS A 65 0.243 2.652 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.123 4.725 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.000 3.771 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.693 2.276 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.531 2.689 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.379 4.813 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.551 3.636 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.835 5.141 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.264 5.895 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.766 4.783 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.597 4.030 2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.213 3.300 2.211 1.00 0.00 H new ATOM 928 N ILE A 66 0.353 0.533 4.536 1.00 0.00 N ATOM 929 CA ILE A 66 0.224 -0.761 5.194 1.00 0.00 C ATOM 930 C ILE A 66 1.582 -1.436 5.354 1.00 0.00 C ATOM 931 O ILE A 66 2.331 -1.583 4.387 1.00 0.00 O ATOM 932 CB ILE A 66 -0.714 -1.700 4.412 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.041 -0.998 4.114 1.00 0.00 C ATOM 934 CG2 ILE A 66 -0.951 -2.983 5.193 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.756 -1.549 2.900 1.00 0.00 C ATOM 0 H ILE A 66 0.918 0.520 3.687 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.203 -0.572 6.179 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.240 -1.957 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.694 -1.088 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.855 0.066 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.616 -3.636 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.000 -3.489 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.408 -2.745 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.688 -1.005 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.122 -1.434 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.974 -2.606 3.055 1.00 0.00 H new ATOM 947 N ARG A 67 1.893 -1.846 6.579 1.00 0.00 N ATOM 948 CA ARG A 67 3.161 -2.505 6.865 1.00 0.00 C ATOM 949 C ARG A 67 2.936 -3.812 7.620 1.00 0.00 C ATOM 950 O ARG A 67 2.471 -3.811 8.760 1.00 0.00 O ATOM 951 CB ARG A 67 4.068 -1.583 7.682 1.00 0.00 C ATOM 952 CG ARG A 67 4.183 -0.179 7.109 1.00 0.00 C ATOM 953 CD ARG A 67 5.259 0.626 7.820 1.00 0.00 C ATOM 954 NE ARG A 67 5.220 2.038 7.450 1.00 0.00 N ATOM 955 CZ ARG A 67 5.959 2.973 8.038 1.00 0.00 C ATOM 956 NH1 ARG A 67 6.790 2.646 9.018 1.00 0.00 N ATOM 957 NH2 ARG A 67 5.868 4.237 7.645 1.00 0.00 N ATOM 0 H ARG A 67 1.284 -1.733 7.389 1.00 0.00 H new ATOM 0 HA ARG A 67 3.645 -2.731 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.686 -1.520 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.063 -2.025 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.413 -0.237 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.225 0.332 7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.131 0.530 8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.239 0.215 7.578 1.00 0.00 H new ATOM 0 HE ARG A 67 4.591 2.322 6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.863 1.675 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.356 3.365 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.230 4.492 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.436 4.954 8.097 1.00 0.00 H new ATOM 971 N HIS A 68 3.267 -4.927 6.975 1.00 0.00 N ATOM 972 CA HIS A 68 3.101 -6.241 7.585 1.00 0.00 C ATOM 973 C HIS A 68 4.440 -6.788 8.071 1.00 0.00 C ATOM 974 O HIS A 68 5.486 -6.504 7.487 1.00 0.00 O ATOM 975 CB HIS A 68 2.473 -7.214 6.587 1.00 0.00 C ATOM 976 CG HIS A 68 3.361 -7.538 5.425 1.00 0.00 C ATOM 977 ND1 HIS A 68 4.481 -8.334 5.534 1.00 0.00 N ATOM 978 CD2 HIS A 68 3.287 -7.170 4.125 1.00 0.00 C ATOM 979 CE1 HIS A 68 5.060 -8.440 4.351 1.00 0.00 C ATOM 980 NE2 HIS A 68 4.354 -7.743 3.478 1.00 0.00 N ATOM 0 H HIS A 68 3.652 -4.946 6.030 1.00 0.00 H new ATOM 0 HA HIS A 68 2.438 -6.134 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.216 -8.138 7.106 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.542 -6.788 6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.530 -6.542 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.957 -9.001 4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.567 -7.646 2.485 1.00 0.00 H new ATOM 989 N ARG A 69 4.400 -7.572 9.144 1.00 0.00 N ATOM 990 CA ARG A 69 5.610 -8.156 9.709 1.00 0.00 C ATOM 991 C ARG A 69 5.485 -9.673 9.812 1.00 0.00 C ATOM 992 O ARG A 69 4.394 -10.204 10.021 1.00 0.00 O ATOM 993 CB ARG A 69 5.891 -7.561 11.090 1.00 0.00 C ATOM 994 CG ARG A 69 5.782 -6.046 11.136 1.00 0.00 C ATOM 995 CD ARG A 69 6.241 -5.494 12.476 1.00 0.00 C ATOM 996 NE ARG A 69 7.641 -5.809 12.747 1.00 0.00 N ATOM 997 CZ ARG A 69 8.285 -5.414 13.840 1.00 0.00 C ATOM 998 NH1 ARG A 69 7.657 -4.694 14.759 1.00 0.00 N ATOM 999 NH2 ARG A 69 9.559 -5.740 14.015 1.00 0.00 N ATOM 0 H ARG A 69 3.543 -7.817 9.639 1.00 0.00 H new ATOM 0 HA ARG A 69 6.441 -7.922 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.192 -7.989 11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.892 -7.854 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.384 -5.613 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.749 -5.749 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.104 -4.413 12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.617 -5.904 13.270 1.00 0.00 H new ATOM 0 HE ARG A 69 8.152 -6.363 12.060 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.677 -4.442 14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.153 -4.392 15.597 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.045 -6.294 13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.052 -5.436 14.854 1.00 0.00 H new ATOM 1013 N LYS A 70 6.609 -10.366 9.663 1.00 0.00 N ATOM 1014 CA LYS A 70 6.626 -11.822 9.740 1.00 0.00 C ATOM 1015 C LYS A 70 7.519 -12.295 10.882 1.00 0.00 C ATOM 1016 O LYS A 70 8.540 -11.677 11.184 1.00 0.00 O ATOM 1017 CB LYS A 70 7.114 -12.417 8.417 1.00 0.00 C ATOM 1018 CG LYS A 70 6.568 -13.806 8.137 1.00 0.00 C ATOM 1019 CD LYS A 70 7.461 -14.885 8.726 1.00 0.00 C ATOM 1020 CE LYS A 70 7.086 -16.264 8.205 1.00 0.00 C ATOM 1021 NZ LYS A 70 7.396 -16.413 6.756 1.00 0.00 N ATOM 0 H LYS A 70 7.520 -9.942 9.488 1.00 0.00 H new ATOM 0 HA LYS A 70 5.609 -12.163 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.828 -11.752 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.203 -12.459 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.565 -13.895 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.480 -13.953 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.501 -14.672 8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.381 -14.871 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.623 -17.025 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.022 -16.437 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.403 -17.422 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.673 -15.921 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.330 -16.000 6.556 1.00 0.00 H new ATOM 1133 N MET A 77 8.019 -5.612 4.921 1.00 0.00 N ATOM 1134 CA MET A 77 7.638 -5.145 3.594 1.00 0.00 C ATOM 1135 C MET A 77 6.501 -4.132 3.680 1.00 0.00 C ATOM 1136 O MET A 77 5.476 -4.389 4.310 1.00 0.00 O ATOM 1137 CB MET A 77 7.219 -6.325 2.715 1.00 0.00 C ATOM 1138 CG MET A 77 8.391 -7.145 2.201 1.00 0.00 C ATOM 1139 SD MET A 77 7.956 -8.161 0.776 1.00 0.00 S ATOM 1140 CE MET A 77 7.778 -6.908 -0.491 1.00 0.00 C ATOM 0 HA MET A 77 8.503 -4.657 3.146 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.554 -6.974 3.285 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.648 -5.950 1.866 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.207 -6.475 1.929 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.759 -7.787 3.001 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.899 -7.364 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.788 -6.457 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.538 -6.139 -0.352 1.00 0.00 H new ATOM 1150 N GLU A 78 6.690 -2.980 3.043 1.00 0.00 N ATOM 1151 CA GLU A 78 5.680 -1.929 3.050 1.00 0.00 C ATOM 1152 C GLU A 78 4.866 -1.948 1.760 1.00 0.00 C ATOM 1153 O GLU A 78 5.382 -2.278 0.691 1.00 0.00 O ATOM 1154 CB GLU A 78 6.338 -0.559 3.231 1.00 0.00 C ATOM 1155 CG GLU A 78 7.327 -0.507 4.383 1.00 0.00 C ATOM 1156 CD GLU A 78 8.677 -1.094 4.021 1.00 0.00 C ATOM 1157 OE1 GLU A 78 9.197 -0.759 2.936 1.00 0.00 O ATOM 1158 OE2 GLU A 78 9.213 -1.888 4.821 1.00 0.00 O ATOM 0 H GLU A 78 7.533 -2.752 2.516 1.00 0.00 H new ATOM 0 HA GLU A 78 5.007 -2.114 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.852 -0.288 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.562 0.189 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.458 0.528 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.916 -1.049 5.234 1.00 0.00 H new ATOM 1165 N THR A 79 3.589 -1.592 1.866 1.00 0.00 N ATOM 1166 CA THR A 79 2.703 -1.570 0.710 1.00 0.00 C ATOM 1167 C THR A 79 1.474 -0.708 0.976 1.00 0.00 C ATOM 1168 O THR A 79 1.007 -0.608 2.111 1.00 0.00 O ATOM 1169 CB THR A 79 2.247 -2.989 0.324 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.381 -3.858 0.223 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.493 -2.975 -0.997 1.00 0.00 C ATOM 0 H THR A 79 3.146 -1.315 2.742 1.00 0.00 H new ATOM 0 HA THR A 79 3.272 -1.143 -0.116 1.00 0.00 H new ATOM 0 HB THR A 79 1.577 -3.355 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.178 -3.332 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.181 -3.989 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.614 -2.337 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.143 -2.590 -1.783 1.00 0.00 H new ATOM 1179 N LEU A 80 0.954 -0.087 -0.077 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.223 0.767 0.043 1.00 0.00 C ATOM 1181 C LEU A 80 -1.187 0.532 -1.116 1.00 0.00 C ATOM 1182 O LEU A 80 -0.766 0.256 -2.239 1.00 0.00 O ATOM 1183 CB LEU A 80 0.192 2.239 0.086 1.00 0.00 C ATOM 1184 CG LEU A 80 1.013 2.739 -1.103 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.100 3.272 -2.196 1.00 0.00 C ATOM 1186 CD2 LEU A 80 1.998 3.811 -0.658 1.00 0.00 C ATOM 0 H LEU A 80 1.328 -0.159 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.732 0.513 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.709 2.848 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.768 2.407 0.996 1.00 0.00 H new ATOM 0 HG LEU A 80 1.578 1.900 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.702 3.623 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.564 2.477 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.493 4.098 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.574 4.155 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.452 4.650 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.674 3.396 0.089 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.481 0.646 -0.835 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.504 0.447 -1.856 1.00 0.00 C ATOM 1200 C GLU A 81 -4.555 1.552 -1.795 1.00 0.00 C ATOM 1201 O GLU A 81 -5.448 1.548 -0.947 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.172 -0.918 -1.680 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.516 -1.032 -2.380 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.907 -2.470 -2.662 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -5.103 -3.189 -3.291 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -7.015 -2.875 -2.255 1.00 0.00 O ATOM 0 H GLU A 81 -2.846 0.875 0.090 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.020 0.483 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.506 -1.691 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.308 -1.112 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.284 -0.565 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.481 -0.478 -3.318 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.448 2.522 -2.715 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.380 3.651 -2.787 1.00 0.00 C ATOM 1215 C PRO A 82 -6.769 3.227 -3.253 1.00 0.00 C ATOM 1216 O PRO A 82 -7.756 3.913 -2.996 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.732 4.581 -3.816 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.898 3.684 -4.665 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.409 2.590 -3.756 1.00 0.00 C ATOM 0 HA PRO A 82 -5.536 4.114 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.484 5.101 -4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.124 5.345 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.481 3.274 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.062 4.229 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.308 1.643 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.432 2.825 -3.334 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.836 2.091 -3.941 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.105 1.576 -4.443 1.00 0.00 C ATOM 1229 C ASN A 83 -9.170 1.595 -3.351 1.00 0.00 C ATOM 1230 O ASN A 83 -10.069 2.435 -3.361 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.927 0.152 -4.972 1.00 0.00 C ATOM 1232 CG ASN A 83 -7.283 0.122 -6.345 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -7.968 0.005 -7.362 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -5.960 0.227 -6.380 1.00 0.00 N ATOM 0 H ASN A 83 -6.027 1.510 -4.163 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.434 2.221 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.314 -0.418 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.899 -0.340 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.471 0.212 -7.275 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.433 0.322 -5.512 1.00 0.00 H new ATOM 1241 N ASN A 84 -9.062 0.663 -2.409 1.00 0.00 N ATOM 1242 CA ASN A 84 -10.015 0.573 -1.310 1.00 0.00 C ATOM 1243 C ASN A 84 -9.296 0.582 0.036 1.00 0.00 C ATOM 1244 O ASN A 84 -8.069 0.662 0.096 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.859 -0.697 -1.442 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.821 -0.633 -2.612 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.852 0.036 -2.547 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.486 -1.330 -3.692 1.00 0.00 N ATOM 0 H ASN A 84 -8.324 -0.040 -2.385 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.670 1.443 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.200 -1.557 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.421 -0.854 -0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.093 -1.324 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.621 -1.871 -3.702 1.00 0.00 H new ATOM 1255 N LEU A 85 -10.069 0.498 1.114 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.507 0.495 2.460 1.00 0.00 C ATOM 1257 C LEU A 85 -9.390 -0.927 2.999 1.00 0.00 C ATOM 1258 O LEU A 85 -9.692 -1.186 4.164 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.372 1.339 3.397 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.914 2.646 2.816 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.233 3.016 3.475 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.898 3.766 2.986 1.00 0.00 C ATOM 0 H LEU A 85 -11.086 0.431 1.082 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.508 0.927 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.217 0.732 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.786 1.575 4.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.092 2.502 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.604 3.948 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.961 2.223 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.081 3.142 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.300 4.689 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.689 3.910 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.976 3.503 2.467 1.00 0.00 H new ATOM 1274 N TRP A 86 -8.950 -1.843 2.144 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.792 -3.240 2.535 1.00 0.00 C ATOM 1276 C TRP A 86 -7.755 -3.936 1.660 1.00 0.00 C ATOM 1277 O TRP A 86 -7.695 -3.708 0.452 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.131 -3.972 2.442 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.634 -4.113 1.037 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.509 -3.286 0.392 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.292 -5.144 0.104 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.732 -3.741 -0.885 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -10.997 -4.879 -1.087 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.459 -6.265 0.158 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.893 -5.695 -2.210 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.357 -7.073 -0.958 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.069 -6.785 -2.130 1.00 0.00 C ATOM 0 H TRP A 86 -8.696 -1.644 1.176 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.444 -3.265 3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.027 -4.963 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.872 -3.435 3.034 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -11.959 -2.404 0.823 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.346 -3.302 -1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -8.905 -6.495 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.443 -5.476 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.717 -7.942 -0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -9.966 -7.435 -2.986 1.00 0.00 H new ATOM 1298 N TYR A 87 -6.941 -4.785 2.277 1.00 0.00 N ATOM 1299 CA TYR A 87 -5.905 -5.513 1.554 1.00 0.00 C ATOM 1300 C TYR A 87 -5.827 -6.962 2.026 1.00 0.00 C ATOM 1301 O TYR A 87 -5.577 -7.232 3.201 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.549 -4.831 1.739 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.560 -5.140 0.638 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.037 -6.418 0.487 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.148 -4.154 -0.249 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.133 -6.706 -0.517 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.245 -4.433 -1.257 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.740 -5.710 -1.387 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.839 -5.991 -2.389 1.00 0.00 O ATOM 0 H TYR A 87 -6.978 -4.986 3.276 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.165 -5.508 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.698 -3.752 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.124 -5.139 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.342 -7.200 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.540 -3.153 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.736 -7.705 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.936 -3.655 -1.940 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.670 -5.181 -2.913 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.042 -7.891 1.101 1.00 0.00 N ATOM 1320 CA LEU A 88 -5.995 -9.313 1.420 1.00 0.00 C ATOM 1321 C LEU A 88 -4.629 -9.902 1.084 1.00 0.00 C ATOM 1322 O LEU A 88 -4.197 -9.878 -0.069 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.088 -10.063 0.656 1.00 0.00 C ATOM 1324 CG LEU A 88 -7.360 -11.498 1.110 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -8.427 -11.523 2.193 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -7.777 -12.361 -0.072 1.00 0.00 C ATOM 0 H LEU A 88 -6.251 -7.685 0.124 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.165 -9.426 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.015 -9.495 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.818 -10.082 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.440 -11.907 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.607 -12.552 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.090 -10.940 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.351 -11.095 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.966 -13.379 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.684 -11.953 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.980 -12.370 -0.815 1.00 0.00 H new ATOM 1338 N PHE A 89 -3.954 -10.433 2.098 1.00 0.00 N ATOM 1339 CA PHE A 89 -2.637 -11.030 1.910 1.00 0.00 C ATOM 1340 C PHE A 89 -2.733 -12.552 1.845 1.00 0.00 C ATOM 1341 O PHE A 89 -3.087 -13.206 2.827 1.00 0.00 O ATOM 1342 CB PHE A 89 -1.698 -10.615 3.045 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.211 -9.199 2.932 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -1.933 -8.157 3.491 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -0.029 -8.910 2.268 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -1.487 -6.853 3.388 1.00 0.00 C ATOM 1347 CE2 PHE A 89 0.422 -7.608 2.162 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.307 -6.579 2.724 1.00 0.00 C ATOM 0 H PHE A 89 -4.297 -10.462 3.058 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.234 -10.668 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.215 -10.738 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.839 -11.286 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.855 -8.366 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.546 -9.712 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.060 -6.049 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.343 -7.396 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.045 -5.561 2.645 1.00 0.00 H new ATOM 1358 N THR A 90 -2.417 -13.110 0.681 1.00 0.00 N ATOM 1359 CA THR A 90 -2.469 -14.554 0.486 1.00 0.00 C ATOM 1360 C THR A 90 -1.090 -15.114 0.157 1.00 0.00 C ATOM 1361 O THR A 90 -0.323 -14.505 -0.587 1.00 0.00 O ATOM 1362 CB THR A 90 -3.448 -14.933 -0.641 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.181 -14.146 -1.807 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.889 -14.723 -0.200 1.00 0.00 C ATOM 0 H THR A 90 -2.122 -12.584 -0.142 1.00 0.00 H new ATOM 0 HA THR A 90 -2.820 -14.988 1.422 1.00 0.00 H new ATOM 0 HB THR A 90 -3.307 -15.988 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.806 -14.394 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.562 -14.997 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.098 -15.346 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.041 -13.675 0.059 1.00 0.00 H new ATOM 1372 N GLY A 91 -0.782 -16.281 0.715 1.00 0.00 N ATOM 1373 CA GLY A 91 0.505 -16.904 0.468 1.00 0.00 C ATOM 1374 C GLY A 91 1.286 -17.149 1.744 1.00 0.00 C ATOM 1375 O GLY A 91 2.469 -17.489 1.701 1.00 0.00 O ATOM 0 H GLY A 91 -1.401 -16.806 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.353 -17.852 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.091 -16.269 -0.196 1.00 0.00 H new ATOM 1379 N LEU A 92 0.625 -16.973 2.883 1.00 0.00 N ATOM 1380 CA LEU A 92 1.265 -17.174 4.178 1.00 0.00 C ATOM 1381 C LEU A 92 1.430 -18.661 4.478 1.00 0.00 C ATOM 1382 O LEU A 92 1.117 -19.510 3.644 1.00 0.00 O ATOM 1383 CB LEU A 92 0.446 -16.507 5.284 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.038 -15.085 4.995 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.026 -14.631 6.058 1.00 0.00 C ATOM 1386 CD2 LEU A 92 1.141 -14.126 4.915 1.00 0.00 C ATOM 0 H LEU A 92 -0.354 -16.691 2.936 1.00 0.00 H new ATOM 0 HA LEU A 92 2.254 -16.717 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.424 -17.131 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.048 -16.487 6.193 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.547 -15.084 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.359 -13.617 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.885 -15.302 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.543 -14.648 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.778 -13.119 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.679 -14.131 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.812 -14.440 4.116 1.00 0.00 H new ATOM 1398 N GLU A 93 1.920 -18.967 5.676 1.00 0.00 N ATOM 1399 CA GLU A 93 2.124 -20.351 6.086 1.00 0.00 C ATOM 1400 C GLU A 93 1.174 -20.728 7.219 1.00 0.00 C ATOM 1401 O GLU A 93 0.357 -19.917 7.656 1.00 0.00 O ATOM 1402 CB GLU A 93 3.573 -20.567 6.527 1.00 0.00 C ATOM 1403 CG GLU A 93 4.503 -20.957 5.390 1.00 0.00 C ATOM 1404 CD GLU A 93 4.664 -19.853 4.363 1.00 0.00 C ATOM 1405 OE1 GLU A 93 4.465 -18.674 4.723 1.00 0.00 O ATOM 1406 OE2 GLU A 93 4.988 -20.169 3.199 1.00 0.00 O ATOM 0 H GLU A 93 2.183 -18.276 6.378 1.00 0.00 H new ATOM 0 HA GLU A 93 1.913 -20.992 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.943 -19.653 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.600 -21.345 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.481 -21.214 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.117 -21.851 4.900 1.00 0.00 H new ATOM 1413 N LYS A 94 1.287 -21.965 7.691 1.00 0.00 N ATOM 1414 CA LYS A 94 0.441 -22.452 8.773 1.00 0.00 C ATOM 1415 C LYS A 94 1.132 -22.284 10.123 1.00 0.00 C ATOM 1416 O LYS A 94 2.348 -22.111 10.191 1.00 0.00 O ATOM 1417 CB LYS A 94 0.088 -23.924 8.550 1.00 0.00 C ATOM 1418 CG LYS A 94 1.282 -24.857 8.644 1.00 0.00 C ATOM 1419 CD LYS A 94 0.850 -26.313 8.698 1.00 0.00 C ATOM 1420 CE LYS A 94 2.013 -27.251 8.411 1.00 0.00 C ATOM 1421 NZ LYS A 94 2.855 -27.476 9.618 1.00 0.00 N ATOM 0 H LYS A 94 1.957 -22.649 7.340 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.475 -21.861 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.657 -24.226 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.372 -24.034 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.934 -24.702 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.864 -24.616 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.437 -26.535 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.055 -26.485 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.629 -28.206 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.627 -26.834 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.636 -28.120 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.242 -26.568 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.276 -27.897 10.372 1.00 0.00 H new ATOM 1435 N GLY A 95 0.348 -22.336 11.195 1.00 0.00 N ATOM 1436 CA GLY A 95 0.903 -22.189 12.528 1.00 0.00 C ATOM 1437 C GLY A 95 1.929 -21.076 12.609 1.00 0.00 C ATOM 1438 O GLY A 95 2.976 -21.232 13.237 1.00 0.00 O ATOM 0 H GLY A 95 -0.662 -22.477 11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 95 0.097 -21.988 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.366 -23.128 12.831 1.00 0.00 H new ATOM 1442 N SER A 96 1.630 -19.949 11.970 1.00 0.00 N ATOM 1443 CA SER A 96 2.537 -18.808 11.968 1.00 0.00 C ATOM 1444 C SER A 96 1.878 -17.589 12.608 1.00 0.00 C ATOM 1445 O SER A 96 0.726 -17.648 13.038 1.00 0.00 O ATOM 1446 CB SER A 96 2.969 -18.475 10.538 1.00 0.00 C ATOM 1447 OG SER A 96 1.920 -18.723 9.618 1.00 0.00 O ATOM 0 H SER A 96 0.767 -19.802 11.447 1.00 0.00 H new ATOM 0 HA SER A 96 3.417 -19.074 12.554 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.269 -17.429 10.480 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.841 -19.072 10.270 1.00 0.00 H new ATOM 0 HG SER A 96 2.023 -18.138 8.839 1.00 0.00 H new ATOM 1453 N GLN A 97 2.618 -16.487 12.668 1.00 0.00 N ATOM 1454 CA GLN A 97 2.107 -15.255 13.256 1.00 0.00 C ATOM 1455 C GLN A 97 2.493 -14.046 12.410 1.00 0.00 C ATOM 1456 O GLN A 97 3.667 -13.844 12.097 1.00 0.00 O ATOM 1457 CB GLN A 97 2.639 -15.086 14.680 1.00 0.00 C ATOM 1458 CG GLN A 97 2.402 -13.700 15.258 1.00 0.00 C ATOM 1459 CD GLN A 97 2.585 -13.655 16.762 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.614 -13.200 17.261 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.584 -14.130 17.494 1.00 0.00 N ATOM 0 H GLN A 97 3.573 -16.422 12.317 1.00 0.00 H new ATOM 0 HA GLN A 97 1.019 -15.321 13.287 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.166 -15.826 15.326 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.709 -15.295 14.686 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.089 -12.994 14.791 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.392 -13.375 15.009 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.749 -14.498 17.038 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.650 -14.127 18.512 1.00 0.00 H new ATOM 1470 N TYR A 98 1.499 -13.246 12.042 1.00 0.00 N ATOM 1471 CA TYR A 98 1.734 -12.059 11.229 1.00 0.00 C ATOM 1472 C TYR A 98 1.087 -10.830 11.860 1.00 0.00 C ATOM 1473 O TYR A 98 0.030 -10.922 12.484 1.00 0.00 O ATOM 1474 CB TYR A 98 1.188 -12.267 9.815 1.00 0.00 C ATOM 1475 CG TYR A 98 1.721 -13.508 9.137 1.00 0.00 C ATOM 1476 CD1 TYR A 98 1.079 -14.732 9.279 1.00 0.00 C ATOM 1477 CD2 TYR A 98 2.868 -13.458 8.354 1.00 0.00 C ATOM 1478 CE1 TYR A 98 1.563 -15.869 8.662 1.00 0.00 C ATOM 1479 CE2 TYR A 98 3.358 -14.590 7.731 1.00 0.00 C ATOM 1480 CZ TYR A 98 2.702 -15.793 7.889 1.00 0.00 C ATOM 1481 OH TYR A 98 3.188 -16.923 7.272 1.00 0.00 O ATOM 0 H TYR A 98 0.522 -13.398 12.294 1.00 0.00 H new ATOM 0 HA TYR A 98 2.810 -11.894 11.175 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.101 -12.326 9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.435 -11.397 9.207 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.186 -14.795 9.883 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.385 -12.518 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.052 -16.813 8.784 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.249 -14.533 7.124 1.00 0.00 H new ATOM 0 HH TYR A 98 3.996 -16.697 6.765 1.00 0.00 H new ATOM 1491 N SER A 99 1.731 -9.679 11.693 1.00 0.00 N ATOM 1492 CA SER A 99 1.222 -8.431 12.248 1.00 0.00 C ATOM 1493 C SER A 99 1.081 -7.370 11.161 1.00 0.00 C ATOM 1494 O SER A 99 1.831 -7.361 10.185 1.00 0.00 O ATOM 1495 CB SER A 99 2.150 -7.924 13.354 1.00 0.00 C ATOM 1496 OG SER A 99 1.989 -8.680 14.541 1.00 0.00 O ATOM 0 H SER A 99 2.606 -9.585 11.178 1.00 0.00 H new ATOM 0 HA SER A 99 0.236 -8.626 12.671 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.186 -7.983 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.940 -6.874 13.557 1.00 0.00 H new ATOM 0 HG SER A 99 2.689 -8.435 15.182 1.00 0.00 H new ATOM 1502 N PHE A 100 0.113 -6.476 11.337 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.128 -5.410 10.371 1.00 0.00 C ATOM 1504 C PHE A 100 -0.326 -4.072 11.076 1.00 0.00 C ATOM 1505 O PHE A 100 -0.380 -4.008 12.304 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.355 -5.736 9.517 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.260 -7.058 8.810 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.540 -8.238 9.479 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -0.890 -7.120 7.476 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.454 -9.456 8.832 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -0.803 -8.336 6.823 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.084 -9.505 7.503 1.00 0.00 C ATOM 0 H PHE A 100 -0.517 -6.469 12.139 1.00 0.00 H new ATOM 0 HA PHE A 100 0.747 -5.334 9.725 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.240 -5.736 10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.493 -4.947 8.778 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.829 -8.206 10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.667 -6.209 6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.676 -10.368 9.365 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.516 -8.372 5.783 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.014 -10.456 6.996 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.432 -3.006 10.289 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.623 -1.668 10.838 1.00 0.00 C ATOM 1524 C GLN A 101 -1.103 -0.701 9.761 1.00 0.00 C ATOM 1525 O GLN A 101 -0.567 -0.674 8.653 1.00 0.00 O ATOM 1526 CB GLN A 101 0.680 -1.157 11.455 1.00 0.00 C ATOM 1527 CG GLN A 101 1.666 -0.614 10.433 1.00 0.00 C ATOM 1528 CD GLN A 101 2.962 -0.145 11.064 1.00 0.00 C ATOM 1529 OE1 GLN A 101 4.048 -0.573 10.670 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.856 0.738 12.050 1.00 0.00 N ATOM 0 H GLN A 101 -0.389 -3.042 9.271 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.386 -1.726 11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.448 -0.373 12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.153 -1.968 12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.884 -1.388 9.697 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.207 0.216 9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.936 1.066 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.695 1.089 12.513 1.00 0.00 H new ATOM 1539 N VAL A 102 -2.117 0.092 10.093 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.669 1.061 9.155 1.00 0.00 C ATOM 1541 C VAL A 102 -2.282 2.484 9.543 1.00 0.00 C ATOM 1542 O VAL A 102 -2.250 2.829 10.724 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.204 0.960 9.081 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.769 2.050 8.183 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.623 -0.417 8.590 1.00 0.00 C ATOM 0 H VAL A 102 -2.573 0.082 11.005 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.250 0.828 8.176 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.609 1.103 10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.855 1.962 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.498 3.027 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.359 1.943 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.711 -0.471 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.208 -0.591 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.251 -1.177 9.277 1.00 0.00 H new ATOM 1555 N SER A 103 -1.989 3.306 8.541 1.00 0.00 N ATOM 1556 CA SER A 103 -1.601 4.692 8.778 1.00 0.00 C ATOM 1557 C SER A 103 -2.301 5.627 7.796 1.00 0.00 C ATOM 1558 O SER A 103 -2.275 5.406 6.586 1.00 0.00 O ATOM 1559 CB SER A 103 -0.084 4.847 8.654 1.00 0.00 C ATOM 1560 OG SER A 103 0.591 4.015 9.582 1.00 0.00 O ATOM 0 H SER A 103 -2.013 3.037 7.557 1.00 0.00 H new ATOM 0 HA SER A 103 -1.905 4.961 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.229 4.595 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.194 5.887 8.824 1.00 0.00 H new ATOM 0 HG SER A 103 1.559 4.131 9.482 1.00 0.00 H new ATOM 1566 N ALA A 104 -2.926 6.673 8.328 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.631 7.643 7.500 1.00 0.00 C ATOM 1568 C ALA A 104 -2.653 8.488 6.691 1.00 0.00 C ATOM 1569 O ALA A 104 -1.657 8.979 7.220 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.511 8.534 8.365 1.00 0.00 C ATOM 0 H ALA A 104 -2.958 6.870 9.328 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.263 7.096 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.032 9.254 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.240 7.921 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.892 9.066 9.087 1.00 0.00 H new ATOM 1576 N MET A 105 -2.944 8.652 5.404 1.00 0.00 N ATOM 1577 CA MET A 105 -2.089 9.438 4.522 1.00 0.00 C ATOM 1578 C MET A 105 -2.827 10.670 4.007 1.00 0.00 C ATOM 1579 O MET A 105 -3.921 10.565 3.453 1.00 0.00 O ATOM 1580 CB MET A 105 -1.613 8.585 3.345 1.00 0.00 C ATOM 1581 CG MET A 105 -0.320 7.835 3.622 1.00 0.00 C ATOM 1582 SD MET A 105 0.517 7.312 2.113 1.00 0.00 S ATOM 1583 CE MET A 105 -0.299 5.749 1.797 1.00 0.00 C ATOM 0 H MET A 105 -3.765 8.251 4.949 1.00 0.00 H new ATOM 0 HA MET A 105 -1.223 9.768 5.095 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.392 7.867 3.089 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.472 9.227 2.475 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.348 8.472 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.536 6.960 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 105 -0.385 5.594 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.284 4.939 2.235 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.294 5.761 2.242 1.00 0.00 H new ATOM 1593 N THR A 106 -2.220 11.839 4.193 1.00 0.00 N ATOM 1594 CA THR A 106 -2.820 13.090 3.749 1.00 0.00 C ATOM 1595 C THR A 106 -2.051 13.682 2.574 1.00 0.00 C ATOM 1596 O THR A 106 -1.080 13.095 2.095 1.00 0.00 O ATOM 1597 CB THR A 106 -2.870 14.125 4.889 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.658 14.075 5.650 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.059 13.868 5.802 1.00 0.00 C ATOM 0 H THR A 106 -1.313 11.944 4.648 1.00 0.00 H new ATOM 0 HA THR A 106 -3.837 12.858 3.434 1.00 0.00 H new ATOM 0 HB THR A 106 -2.980 15.115 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.627 14.836 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.073 14.611 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.982 13.936 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.976 12.872 6.236 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.489 14.849 2.112 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.840 15.521 0.993 1.00 0.00 C ATOM 1609 C VAL A 107 -0.413 15.924 1.347 1.00 0.00 C ATOM 1610 O VAL A 107 0.427 16.109 0.467 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.623 16.776 0.561 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -4.065 16.419 0.235 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -2.561 17.841 1.645 1.00 0.00 C ATOM 0 H VAL A 107 -3.291 15.349 2.496 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.820 14.811 0.166 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.161 17.180 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.603 17.317 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.085 15.693 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.542 15.991 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.119 18.720 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.997 17.450 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.522 18.117 1.825 1.00 0.00 H new ATOM 1623 N ASN A 108 -0.145 16.057 2.642 1.00 0.00 N ATOM 1624 CA ASN A 108 1.182 16.437 3.113 1.00 0.00 C ATOM 1625 C ASN A 108 2.112 15.229 3.154 1.00 0.00 C ATOM 1626 O ASN A 108 3.112 15.177 2.439 1.00 0.00 O ATOM 1627 CB ASN A 108 1.090 17.071 4.503 1.00 0.00 C ATOM 1628 CG ASN A 108 2.231 18.032 4.776 1.00 0.00 C ATOM 1629 OD1 ASN A 108 3.155 17.718 5.526 1.00 0.00 O ATOM 1630 ND2 ASN A 108 2.171 19.211 4.168 1.00 0.00 N ATOM 0 H ASN A 108 -0.829 15.907 3.384 1.00 0.00 H new ATOM 0 HA ASN A 108 1.593 17.166 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.142 17.601 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.091 16.285 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 108 2.910 19.899 4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.386 19.429 3.554 1.00 0.00 H new ATOM 1637 N GLY A 109 1.774 14.256 3.996 1.00 0.00 N ATOM 1638 CA GLY A 109 2.588 13.061 4.114 1.00 0.00 C ATOM 1639 C GLY A 109 1.872 11.941 4.843 1.00 0.00 C ATOM 1640 O GLY A 109 0.644 11.929 4.925 1.00 0.00 O ATOM 0 H GLY A 109 0.951 14.275 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.872 12.719 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.510 13.304 4.643 1.00 0.00 H new ATOM 1644 N THR A 110 2.641 10.996 5.373 1.00 0.00 N ATOM 1645 CA THR A 110 2.073 9.865 6.096 1.00 0.00 C ATOM 1646 C THR A 110 1.820 10.218 7.557 1.00 0.00 C ATOM 1647 O THR A 110 2.610 10.924 8.182 1.00 0.00 O ATOM 1648 CB THR A 110 2.998 8.634 6.030 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.244 8.279 4.665 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.380 7.453 6.763 1.00 0.00 C ATOM 0 H THR A 110 3.659 10.991 5.315 1.00 0.00 H new ATOM 0 HA THR A 110 1.126 9.625 5.613 1.00 0.00 H new ATOM 0 HB THR A 110 3.941 8.889 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.131 7.869 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.051 6.596 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.221 7.717 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.425 7.199 6.303 1.00 0.00 H new ATOM 1658 N GLY A 111 0.711 9.720 8.098 1.00 0.00 N ATOM 1659 CA GLY A 111 0.374 9.994 9.482 1.00 0.00 C ATOM 1660 C GLY A 111 0.920 8.946 10.430 1.00 0.00 C ATOM 1661 O GLY A 111 1.525 7.957 10.015 1.00 0.00 O ATOM 0 H GLY A 111 0.041 9.132 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.766 10.972 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.710 10.044 9.586 1.00 0.00 H new ATOM 1665 N PRO A 112 0.709 9.157 11.738 1.00 0.00 N ATOM 1666 CA PRO A 112 1.178 8.233 12.775 1.00 0.00 C ATOM 1667 C PRO A 112 0.414 6.914 12.765 1.00 0.00 C ATOM 1668 O PRO A 112 -0.815 6.880 12.692 1.00 0.00 O ATOM 1669 CB PRO A 112 0.911 8.995 14.076 1.00 0.00 C ATOM 1670 CG PRO A 112 -0.200 9.931 13.746 1.00 0.00 C ATOM 1671 CD PRO A 112 -0.005 10.313 12.305 1.00 0.00 C ATOM 0 HA PRO A 112 2.223 7.957 12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.631 8.316 14.882 1.00 0.00 H new ATOM 0 HB3 PRO A 112 1.798 9.535 14.408 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.169 9.455 13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.174 10.810 14.390 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.957 10.483 11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.575 11.231 12.208 1.00 0.00 H new ATOM 1679 N PRO A 113 1.156 5.799 12.840 1.00 0.00 N ATOM 1680 CA PRO A 113 0.569 4.456 12.842 1.00 0.00 C ATOM 1681 C PRO A 113 -0.188 4.156 14.131 1.00 0.00 C ATOM 1682 O PRO A 113 -0.128 4.924 15.090 1.00 0.00 O ATOM 1683 CB PRO A 113 1.785 3.536 12.710 1.00 0.00 C ATOM 1684 CG PRO A 113 2.920 4.327 13.264 1.00 0.00 C ATOM 1685 CD PRO A 113 2.625 5.763 12.929 1.00 0.00 C ATOM 0 HA PRO A 113 -0.165 4.332 12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.641 2.608 13.264 1.00 0.00 H new ATOM 0 HB3 PRO A 113 1.963 3.262 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.004 4.187 14.342 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.867 4.011 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.997 6.440 13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.092 6.060 11.990 1.00 0.00 H new ATOM 1693 N SER A 114 -0.900 3.034 14.147 1.00 0.00 N ATOM 1694 CA SER A 114 -1.672 2.634 15.317 1.00 0.00 C ATOM 1695 C SER A 114 -1.067 1.395 15.970 1.00 0.00 C ATOM 1696 O SER A 114 -0.050 0.874 15.514 1.00 0.00 O ATOM 1697 CB SER A 114 -3.126 2.360 14.927 1.00 0.00 C ATOM 1698 OG SER A 114 -3.221 1.236 14.069 1.00 0.00 O ATOM 0 H SER A 114 -0.958 2.385 13.362 1.00 0.00 H new ATOM 0 HA SER A 114 -1.644 3.453 16.036 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.720 2.188 15.824 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.544 3.236 14.431 1.00 0.00 H new ATOM 0 HG SER A 114 -4.160 1.081 13.836 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.700 0.929 17.042 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.225 -0.248 17.759 1.00 0.00 C ATOM 1706 C ASN A 115 -0.904 -1.382 16.791 1.00 0.00 C ATOM 1707 O ASN A 115 -1.549 -1.526 15.752 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.272 -0.710 18.774 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.656 0.387 19.749 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -3.769 0.910 19.706 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -1.732 0.740 20.635 1.00 0.00 N ATOM 0 H ASN A 115 -2.543 1.349 17.433 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.312 0.024 18.288 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.162 -1.050 18.245 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.885 -1.565 19.328 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.932 1.472 21.316 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -0.822 0.279 20.634 1.00 0.00 H new ATOM 1718 N TRP A 116 0.095 -2.185 17.138 1.00 0.00 N ATOM 1719 CA TRP A 116 0.501 -3.307 16.300 1.00 0.00 C ATOM 1720 C TRP A 116 -0.396 -4.517 16.538 1.00 0.00 C ATOM 1721 O TRP A 116 -0.132 -5.333 17.422 1.00 0.00 O ATOM 1722 CB TRP A 116 1.960 -3.676 16.576 1.00 0.00 C ATOM 1723 CG TRP A 116 2.935 -2.915 15.730 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.696 -1.848 16.114 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.252 -3.163 14.356 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.467 -1.418 15.061 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.214 -2.208 13.972 1.00 0.00 C ATOM 1728 CE3 TRP A 116 2.819 -4.100 13.413 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.747 -2.165 12.686 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.349 -4.055 12.138 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.305 -3.093 11.784 1.00 0.00 C ATOM 0 H TRP A 116 0.639 -2.080 17.994 1.00 0.00 H new ATOM 0 HA TRP A 116 0.402 -3.004 15.258 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.181 -3.492 17.627 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.096 -4.744 16.404 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.692 -1.407 17.100 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.122 -0.636 15.087 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.083 -4.846 13.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.484 -1.425 12.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.021 -4.773 11.401 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.700 -3.084 10.779 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.456 -4.628 15.746 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.393 -5.738 15.873 1.00 0.00 C ATOM 1744 C TYR A 117 -1.810 -7.014 15.272 1.00 0.00 C ATOM 1745 O TYR A 117 -1.379 -7.031 14.118 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.717 -5.396 15.187 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.377 -4.150 15.733 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -4.036 -2.892 15.252 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.343 -4.231 16.728 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.636 -1.751 15.748 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.949 -3.095 17.229 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.592 -1.858 16.736 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.193 -0.724 17.232 1.00 0.00 O ATOM 0 H TYR A 117 -1.688 -3.963 15.009 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.575 -5.908 16.934 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.540 -5.265 14.119 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.401 -6.237 15.296 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.289 -2.805 14.477 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.625 -5.198 17.117 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.358 -0.781 15.364 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.698 -3.176 18.003 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.844 -0.973 17.921 1.00 0.00 H new ATOM 1763 N THR A 118 -1.802 -8.082 16.063 1.00 0.00 N ATOM 1764 CA THR A 118 -1.273 -9.363 15.611 1.00 0.00 C ATOM 1765 C THR A 118 -2.392 -10.375 15.398 1.00 0.00 C ATOM 1766 O THR A 118 -3.429 -10.317 16.057 1.00 0.00 O ATOM 1767 CB THR A 118 -0.260 -9.939 16.619 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.664 -8.922 17.021 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.499 -11.111 16.014 1.00 0.00 C ATOM 0 H THR A 118 -2.156 -8.085 17.020 1.00 0.00 H new ATOM 0 HA THR A 118 -0.767 -9.180 14.663 1.00 0.00 H new ATOM 0 HB THR A 118 -0.810 -10.294 17.490 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.221 -8.666 16.257 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.208 -11.501 16.744 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.205 -11.896 15.737 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.038 -10.777 15.127 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.175 -11.304 14.472 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.165 -12.331 14.173 1.00 0.00 C ATOM 1779 C ALA A 119 -2.494 -13.660 13.841 1.00 0.00 C ATOM 1780 O ALA A 119 -1.462 -13.694 13.172 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.057 -11.887 13.024 1.00 0.00 C ATOM 0 H ALA A 119 -1.322 -11.366 13.916 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.781 -12.476 15.061 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.791 -12.664 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.572 -10.966 13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.448 -11.712 12.137 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.087 -14.752 14.315 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.545 -16.083 14.069 1.00 0.00 C ATOM 1789 C GLU A 120 -3.455 -16.878 13.137 1.00 0.00 C ATOM 1790 O GLU A 120 -4.678 -16.733 13.173 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.364 -16.836 15.388 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.332 -16.209 16.311 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.341 -16.821 17.698 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -2.429 -16.901 18.305 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -0.259 -17.221 18.176 1.00 0.00 O ATOM 0 H GLU A 120 -3.942 -14.741 14.871 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.573 -15.968 13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.322 -16.881 15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.070 -17.863 15.173 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.341 -16.325 15.873 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.523 -15.139 16.389 1.00 0.00 H new ATOM 1802 N THR A 121 -2.851 -17.718 12.303 1.00 0.00 N ATOM 1803 CA THR A 121 -3.605 -18.534 11.361 1.00 0.00 C ATOM 1804 C THR A 121 -4.070 -19.834 12.008 1.00 0.00 C ATOM 1805 O THR A 121 -3.414 -20.384 12.893 1.00 0.00 O ATOM 1806 CB THR A 121 -2.769 -18.868 10.111 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.691 -19.742 10.462 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.214 -17.601 9.477 1.00 0.00 C ATOM 0 H THR A 121 -1.841 -17.851 12.261 1.00 0.00 H new ATOM 0 HA THR A 121 -4.474 -17.948 11.062 1.00 0.00 H new ATOM 0 HB THR A 121 -3.418 -19.363 9.389 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.165 -19.951 9.662 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.627 -17.862 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.038 -16.950 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.579 -17.083 10.195 1.00 0.00 H new ATOM 1816 N PRO A 122 -5.229 -20.338 11.559 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.806 -21.580 12.081 1.00 0.00 C ATOM 1818 C PRO A 122 -5.000 -22.810 11.675 1.00 0.00 C ATOM 1819 O PRO A 122 -4.977 -23.189 10.505 1.00 0.00 O ATOM 1820 CB PRO A 122 -7.198 -21.619 11.445 1.00 0.00 C ATOM 1821 CG PRO A 122 -7.068 -20.812 10.200 1.00 0.00 C ATOM 1822 CD PRO A 122 -6.064 -19.736 10.507 1.00 0.00 C ATOM 0 HA PRO A 122 -5.819 -21.596 13.171 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.504 -22.642 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.950 -21.199 12.113 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.734 -21.431 9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -8.027 -20.381 9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.475 -19.473 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.547 -18.822 10.852 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.341 -23.428 12.650 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.534 -24.615 12.393 1.00 0.00 C ATOM 1832 C GLU A 123 -4.176 -25.486 11.317 1.00 0.00 C ATOM 1833 O GLU A 123 -3.497 -25.983 10.419 1.00 0.00 O ATOM 1834 CB GLU A 123 -3.352 -25.424 13.678 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.271 -24.877 14.595 1.00 0.00 C ATOM 1836 CD GLU A 123 -2.353 -25.444 15.998 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -2.760 -26.616 16.142 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -2.009 -24.716 16.953 1.00 0.00 O ATOM 0 H GLU A 123 -4.350 -23.127 13.624 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.557 -24.288 12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.298 -25.448 14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.108 -26.454 13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.292 -25.104 14.172 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.354 -23.791 14.641 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.489 -25.667 11.415 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.223 -26.479 10.452 1.00 0.00 C ATOM 1847 C ASN A 124 -7.041 -25.600 9.510 1.00 0.00 C ATOM 1848 O ASN A 124 -8.045 -25.012 9.911 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.144 -27.462 11.178 1.00 0.00 C ATOM 1850 CG ASN A 124 -6.382 -28.393 12.101 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -5.341 -28.937 11.731 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -6.899 -28.582 13.310 1.00 0.00 N ATOM 0 H ASN A 124 -6.066 -25.262 12.152 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.499 -27.039 9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.882 -26.905 11.756 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.693 -28.052 10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -6.431 -29.199 13.974 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -7.764 -28.111 13.574 1.00 0.00 H new