USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1014 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 126 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 SER OG : rot -110:sc= 0.534 USER MOD Set 2.1: A 107 THR OG1 : rot -86:sc= 1.18 USER MOD Set 2.2: A 110 ASN :FLIP amide:sc= 0.59 F(o=-0.31,f=1.8) USER MOD Set 3.1: A 105 GLN :FLIP amide:sc= -0.963 F(o=-2,f=-1.2) USER MOD Set 3.2: A 112 GLN : amide:sc= -0.233 K(o=-1.2,f=-2.4) USER MOD Set 4.1: A 103 GLN : amide:sc= 1.34 K(o=1.9,f=-1.3) USER MOD Set 4.2: A 115 ASN : amide:sc= 0.53 K(o=1.9,f=0.21) USER MOD Set 5.1: A 70 ASN :FLIP amide:sc= -0.393 F(o=-4.2!,f=-0.4) USER MOD Set 5.2: A 81 THR OG1 : rot 180:sc= -0.0115 USER MOD Set 6.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 34 GLN : amide:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Set 7.2: A 53 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.864 USER MOD Single : A 33 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.41) USER MOD Single : A 35 ASN : amide:sc= 0.895 K(o=0.89,f=-0.18) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= 1.14 (180deg=0.396) USER MOD Single : A 41 SER OG : rot -115:sc= 1.07 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 43:sc= 0.662 USER MOD Single : A 46 TYR OH : rot 180:sc= 1.12 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0124 (180deg=-0.203) USER MOD Single : A 59 SER OG : rot -26:sc= 0.236 USER MOD Single : A 60 GLN :FLIP amide:sc= -1.41 F(o=-2.6!,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -117:sc= -7.16! (180deg=-9.14!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.219 USER MOD Single : A 78 THR OG1 : rot 83:sc= 1.05 USER MOD Single : A 85 GLN : amide:sc= -0.0821 K(o=-0.082,f=-4.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.07) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.389 F(o=-1.3,f=-0.39) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.238 F(o=-0.89,f=-0.24) USER MOD Single : A 138 GLN :FLIP amide:sc= -0.0164 F(o=-1.2!,f=-0.016) USER MOD Single : A 140 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.051) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.06) USER MOD Single : A 153 HIS : no HE2:sc= 0.53 K(o=0.53,f=-5.6!) USER MOD Single : A 156 GLN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 425 N GLU A 27 17.300 -2.877 6.378 1.00 1.02 N ATOM 426 CA GLU A 27 16.503 -3.128 5.170 1.00 50.12 C ATOM 427 C GLU A 27 15.714 -4.445 5.280 1.00 62.32 C ATOM 428 O GLU A 27 14.486 -4.463 5.163 1.00 22.42 O ATOM 429 CB GLU A 27 17.418 -3.171 3.940 1.00 2.34 C ATOM 430 CG GLU A 27 16.683 -3.413 2.625 1.00 41.03 C ATOM 431 CD GLU A 27 17.624 -3.488 1.432 1.00 3.12 C ATOM 432 OE1 GLU A 27 18.057 -2.422 0.941 1.00 72.35 O ATOM 433 OE2 GLU A 27 17.943 -4.613 0.984 1.00 33.02 O ATOM 0 HA GLU A 27 15.787 -2.313 5.065 1.00 50.12 H new ATOM 0 HB2 GLU A 27 17.962 -2.229 3.872 1.00 2.34 H new ATOM 0 HB3 GLU A 27 18.160 -3.958 4.079 1.00 2.34 H new ATOM 0 HG2 GLU A 27 16.117 -4.342 2.695 1.00 41.03 H new ATOM 0 HG3 GLU A 27 15.962 -2.612 2.464 1.00 41.03 H new ATOM 440 N THR A 28 16.429 -5.541 5.524 1.00 45.05 N ATOM 441 CA THR A 28 15.802 -6.862 5.655 1.00 35.42 C ATOM 442 C THR A 28 14.949 -6.952 6.931 1.00 21.40 C ATOM 443 O THR A 28 13.975 -7.705 6.989 1.00 73.45 O ATOM 444 CB THR A 28 16.859 -7.995 5.662 1.00 3.15 C ATOM 445 OG1 THR A 28 17.735 -7.859 4.532 1.00 21.24 O ATOM 446 CG2 THR A 28 16.197 -9.371 5.621 1.00 52.32 C ATOM 0 H THR A 28 17.443 -5.545 5.636 1.00 45.05 H new ATOM 0 HA THR A 28 15.156 -6.990 4.787 1.00 35.42 H new ATOM 0 HB THR A 28 17.430 -7.910 6.586 1.00 3.15 H new ATOM 0 HG1 THR A 28 18.401 -8.578 4.546 1.00 21.24 H new ATOM 0 HG21 THR A 28 16.965 -10.145 5.627 1.00 52.32 H new ATOM 0 HG22 THR A 28 15.554 -9.491 6.493 1.00 52.32 H new ATOM 0 HG23 THR A 28 15.599 -9.460 4.714 1.00 52.32 H new ATOM 454 N VAL A 29 15.319 -6.181 7.956 1.00 40.31 N ATOM 455 CA VAL A 29 14.534 -6.114 9.201 1.00 0.50 C ATOM 456 C VAL A 29 13.110 -5.593 8.933 1.00 70.34 C ATOM 457 O VAL A 29 12.125 -6.189 9.382 1.00 73.42 O ATOM 458 CB VAL A 29 15.224 -5.216 10.263 1.00 10.51 C ATOM 459 CG1 VAL A 29 14.336 -5.030 11.496 1.00 52.11 C ATOM 460 CG2 VAL A 29 16.582 -5.797 10.660 1.00 54.45 C ATOM 0 H VAL A 29 16.153 -5.594 7.954 1.00 40.31 H new ATOM 0 HA VAL A 29 14.473 -7.130 9.592 1.00 0.50 H new ATOM 0 HB VAL A 29 15.384 -4.235 9.816 1.00 10.51 H new ATOM 0 HG11 VAL A 29 14.848 -4.397 12.221 1.00 52.11 H new ATOM 0 HG12 VAL A 29 13.398 -4.560 11.201 1.00 52.11 H new ATOM 0 HG13 VAL A 29 14.129 -6.001 11.945 1.00 52.11 H new ATOM 0 HG21 VAL A 29 17.049 -5.153 11.405 1.00 54.45 H new ATOM 0 HG22 VAL A 29 16.443 -6.794 11.078 1.00 54.45 H new ATOM 0 HG23 VAL A 29 17.223 -5.858 9.780 1.00 54.45 H new ATOM 470 N LYS A 30 13.010 -4.481 8.199 1.00 53.34 N ATOM 471 CA LYS A 30 11.709 -3.928 7.796 1.00 53.43 C ATOM 472 C LYS A 30 10.913 -4.938 6.951 1.00 14.11 C ATOM 473 O LYS A 30 9.728 -5.172 7.194 1.00 12.44 O ATOM 474 CB LYS A 30 11.890 -2.612 7.011 1.00 65.52 C ATOM 475 CG LYS A 30 11.809 -1.347 7.866 1.00 3.14 C ATOM 476 CD LYS A 30 12.926 -1.259 8.903 1.00 11.22 C ATOM 477 CE LYS A 30 12.798 0.012 9.737 1.00 2.32 C ATOM 478 NZ LYS A 30 13.891 0.149 10.737 1.00 21.22 N ATOM 0 H LYS A 30 13.813 -3.944 7.871 1.00 53.34 H new ATOM 0 HA LYS A 30 11.146 -3.719 8.706 1.00 53.43 H new ATOM 0 HB2 LYS A 30 12.857 -2.634 6.508 1.00 65.52 H new ATOM 0 HB3 LYS A 30 11.127 -2.559 6.234 1.00 65.52 H new ATOM 0 HG2 LYS A 30 11.853 -0.472 7.217 1.00 3.14 H new ATOM 0 HG3 LYS A 30 10.845 -1.319 8.374 1.00 3.14 H new ATOM 0 HD2 LYS A 30 12.891 -2.131 9.555 1.00 11.22 H new ATOM 0 HD3 LYS A 30 13.894 -1.274 8.402 1.00 11.22 H new ATOM 0 HE2 LYS A 30 12.804 0.879 9.076 1.00 2.32 H new ATOM 0 HE3 LYS A 30 11.837 0.010 10.252 1.00 2.32 H new ATOM 0 HZ1 LYS A 30 13.759 1.028 11.278 1.00 21.22 H new ATOM 0 HZ2 LYS A 30 13.871 -0.663 11.386 1.00 21.22 H new ATOM 0 HZ3 LYS A 30 14.808 0.179 10.247 1.00 21.22 H new ATOM 492 N ILE A 31 11.574 -5.531 5.955 1.00 41.02 N ATOM 493 CA ILE A 31 10.944 -6.542 5.092 1.00 2.23 C ATOM 494 C ILE A 31 10.377 -7.712 5.919 1.00 32.20 C ATOM 495 O ILE A 31 9.221 -8.107 5.749 1.00 44.52 O ATOM 496 CB ILE A 31 11.948 -7.092 4.045 1.00 60.41 C ATOM 497 CG1 ILE A 31 12.477 -5.948 3.159 1.00 64.04 C ATOM 498 CG2 ILE A 31 11.300 -8.186 3.192 1.00 71.14 C ATOM 499 CD1 ILE A 31 13.514 -6.381 2.141 1.00 74.32 C ATOM 0 H ILE A 31 12.547 -5.331 5.723 1.00 41.02 H new ATOM 0 HA ILE A 31 10.124 -6.047 4.572 1.00 2.23 H new ATOM 0 HB ILE A 31 12.791 -7.536 4.575 1.00 60.41 H new ATOM 0 HG12 ILE A 31 11.638 -5.491 2.635 1.00 64.04 H new ATOM 0 HG13 ILE A 31 12.910 -5.179 3.798 1.00 64.04 H new ATOM 0 HG21 ILE A 31 12.023 -8.557 2.465 1.00 71.14 H new ATOM 0 HG22 ILE A 31 10.979 -9.006 3.834 1.00 71.14 H new ATOM 0 HG23 ILE A 31 10.437 -7.776 2.668 1.00 71.14 H new ATOM 0 HD11 ILE A 31 13.835 -5.517 1.558 1.00 74.32 H new ATOM 0 HD12 ILE A 31 14.373 -6.810 2.657 1.00 74.32 H new ATOM 0 HD13 ILE A 31 13.081 -7.127 1.475 1.00 74.32 H new ATOM 511 N THR A 32 11.196 -8.255 6.819 1.00 75.54 N ATOM 512 CA THR A 32 10.761 -9.345 7.709 1.00 35.42 C ATOM 513 C THR A 32 9.536 -8.930 8.534 1.00 14.44 C ATOM 514 O THR A 32 8.579 -9.694 8.678 1.00 35.11 O ATOM 515 CB THR A 32 11.899 -9.786 8.669 1.00 4.14 C ATOM 516 OG1 THR A 32 13.039 -10.227 7.914 1.00 32.24 O ATOM 517 CG2 THR A 32 11.444 -10.912 9.598 1.00 30.15 C ATOM 0 H THR A 32 12.164 -7.963 6.955 1.00 75.54 H new ATOM 0 HA THR A 32 10.495 -10.187 7.070 1.00 35.42 H new ATOM 0 HB THR A 32 12.168 -8.923 9.278 1.00 4.14 H new ATOM 0 HG1 THR A 32 13.496 -9.451 7.528 1.00 32.24 H new ATOM 0 HG21 THR A 32 12.266 -11.195 10.256 1.00 30.15 H new ATOM 0 HG22 THR A 32 10.600 -10.570 10.198 1.00 30.15 H new ATOM 0 HG23 THR A 32 11.141 -11.774 9.004 1.00 30.15 H new ATOM 525 N GLN A 33 9.567 -7.705 9.062 1.00 42.42 N ATOM 526 CA GLN A 33 8.447 -7.161 9.835 1.00 30.24 C ATOM 527 C GLN A 33 7.156 -7.123 9.001 1.00 32.25 C ATOM 528 O GLN A 33 6.084 -7.509 9.477 1.00 3.31 O ATOM 529 CB GLN A 33 8.790 -5.750 10.336 1.00 61.34 C ATOM 530 CG GLN A 33 7.726 -5.144 11.245 1.00 44.33 C ATOM 531 CD GLN A 33 8.088 -3.759 11.750 1.00 65.05 C ATOM 532 OE1 GLN A 33 8.761 -2.989 11.073 1.00 74.15 O ATOM 533 NE2 GLN A 33 7.646 -3.431 12.949 1.00 34.25 N ATOM 0 H GLN A 33 10.358 -7.068 8.968 1.00 42.42 H new ATOM 0 HA GLN A 33 8.277 -7.817 10.688 1.00 30.24 H new ATOM 0 HB2 GLN A 33 9.737 -5.786 10.875 1.00 61.34 H new ATOM 0 HB3 GLN A 33 8.937 -5.095 9.477 1.00 61.34 H new ATOM 0 HG2 GLN A 33 6.782 -5.091 10.703 1.00 44.33 H new ATOM 0 HG3 GLN A 33 7.567 -5.804 12.098 1.00 44.33 H new ATOM 0 HE21 GLN A 33 7.088 -4.095 13.486 1.00 34.25 H new ATOM 0 HE22 GLN A 33 7.862 -2.513 13.339 1.00 34.25 H new ATOM 542 N GLN A 34 7.270 -6.666 7.753 1.00 74.10 N ATOM 543 CA GLN A 34 6.123 -6.603 6.840 1.00 71.12 C ATOM 544 C GLN A 34 5.479 -7.982 6.661 1.00 11.42 C ATOM 545 O GLN A 34 4.259 -8.113 6.688 1.00 21.43 O ATOM 546 CB GLN A 34 6.554 -6.049 5.475 1.00 34.42 C ATOM 547 CG GLN A 34 5.400 -5.883 4.488 1.00 73.50 C ATOM 548 CD GLN A 34 5.853 -5.364 3.136 1.00 71.12 C ATOM 549 OE1 GLN A 34 5.914 -4.164 2.907 1.00 4.30 O ATOM 550 NE2 GLN A 34 6.167 -6.265 2.227 1.00 23.02 N ATOM 0 H GLN A 34 8.145 -6.333 7.349 1.00 74.10 H new ATOM 0 HA GLN A 34 5.384 -5.934 7.281 1.00 71.12 H new ATOM 0 HB2 GLN A 34 7.037 -5.083 5.621 1.00 34.42 H new ATOM 0 HB3 GLN A 34 7.299 -6.716 5.041 1.00 34.42 H new ATOM 0 HG2 GLN A 34 4.901 -6.843 4.355 1.00 73.50 H new ATOM 0 HG3 GLN A 34 4.665 -5.197 4.908 1.00 73.50 H new ATOM 0 HE21 GLN A 34 6.105 -7.258 2.451 1.00 23.02 H new ATOM 0 HE22 GLN A 34 6.472 -5.969 1.300 1.00 23.02 H new ATOM 559 N ASN A 35 6.308 -9.012 6.480 1.00 52.25 N ATOM 560 CA ASN A 35 5.808 -10.384 6.326 1.00 30.33 C ATOM 561 C ASN A 35 5.079 -10.873 7.591 1.00 71.52 C ATOM 562 O ASN A 35 4.083 -11.593 7.501 1.00 13.01 O ATOM 563 CB ASN A 35 6.954 -11.340 5.971 1.00 14.43 C ATOM 564 CG ASN A 35 7.470 -11.123 4.559 1.00 64.31 C ATOM 565 OD1 ASN A 35 6.961 -11.700 3.605 1.00 3.13 O ATOM 566 ND2 ASN A 35 8.479 -10.291 4.408 1.00 4.23 N ATOM 0 H ASN A 35 7.323 -8.926 6.436 1.00 52.25 H new ATOM 0 HA ASN A 35 5.086 -10.376 5.509 1.00 30.33 H new ATOM 0 HB2 ASN A 35 7.771 -11.203 6.679 1.00 14.43 H new ATOM 0 HB3 ASN A 35 6.611 -12.369 6.076 1.00 14.43 H new ATOM 0 HD21 ASN A 35 8.858 -10.112 3.478 1.00 4.23 H new ATOM 0 HD22 ASN A 35 8.882 -9.825 5.221 1.00 4.23 H new ATOM 573 N ARG A 36 5.574 -10.482 8.765 1.00 33.11 N ATOM 574 CA ARG A 36 4.922 -10.846 10.030 1.00 20.54 C ATOM 575 C ARG A 36 3.530 -10.198 10.137 1.00 10.01 C ATOM 576 O ARG A 36 2.538 -10.871 10.422 1.00 11.00 O ATOM 577 CB ARG A 36 5.788 -10.431 11.229 1.00 21.24 C ATOM 578 CG ARG A 36 7.176 -11.070 11.258 1.00 64.31 C ATOM 579 CD ARG A 36 7.915 -10.756 12.558 1.00 54.52 C ATOM 580 NE ARG A 36 9.273 -11.296 12.574 1.00 0.31 N ATOM 581 CZ ARG A 36 9.582 -12.512 12.940 1.00 15.41 C ATOM 582 NH1 ARG A 36 8.663 -13.366 13.253 1.00 24.31 N ATOM 583 NH2 ARG A 36 10.820 -12.875 12.984 1.00 41.05 N ATOM 0 H ARG A 36 6.417 -9.918 8.870 1.00 33.11 H new ATOM 0 HA ARG A 36 4.803 -11.929 10.043 1.00 20.54 H new ATOM 0 HB2 ARG A 36 5.901 -9.347 11.222 1.00 21.24 H new ATOM 0 HB3 ARG A 36 5.263 -10.691 12.148 1.00 21.24 H new ATOM 0 HG2 ARG A 36 7.082 -12.150 11.144 1.00 64.31 H new ATOM 0 HG3 ARG A 36 7.760 -10.710 10.411 1.00 64.31 H new ATOM 0 HD2 ARG A 36 7.955 -9.676 12.697 1.00 54.52 H new ATOM 0 HD3 ARG A 36 7.355 -11.165 13.399 1.00 54.52 H new ATOM 0 HE ARG A 36 10.032 -10.682 12.279 1.00 0.31 H new ATOM 0 HH11 ARG A 36 7.681 -13.094 13.216 1.00 24.31 H new ATOM 0 HH12 ARG A 36 8.921 -14.311 13.537 1.00 24.31 H new ATOM 0 HH21 ARG A 36 11.555 -12.213 12.733 1.00 41.05 H new ATOM 0 HH22 ARG A 36 11.064 -13.824 13.269 1.00 41.05 H new ATOM 597 N LEU A 37 3.465 -8.887 9.896 1.00 54.42 N ATOM 598 CA LEU A 37 2.192 -8.155 9.913 1.00 55.35 C ATOM 599 C LEU A 37 1.246 -8.653 8.808 1.00 54.13 C ATOM 600 O LEU A 37 0.040 -8.794 9.019 1.00 64.31 O ATOM 601 CB LEU A 37 2.451 -6.650 9.745 1.00 51.21 C ATOM 602 CG LEU A 37 3.299 -6.001 10.856 1.00 71.33 C ATOM 603 CD1 LEU A 37 3.560 -4.529 10.548 1.00 23.12 C ATOM 604 CD2 LEU A 37 2.619 -6.156 12.217 1.00 33.25 C ATOM 0 H LEU A 37 4.278 -8.308 9.686 1.00 54.42 H new ATOM 0 HA LEU A 37 1.711 -8.335 10.874 1.00 55.35 H new ATOM 0 HB2 LEU A 37 2.949 -6.488 8.789 1.00 51.21 H new ATOM 0 HB3 LEU A 37 1.491 -6.136 9.696 1.00 51.21 H new ATOM 0 HG LEU A 37 4.259 -6.516 10.894 1.00 71.33 H new ATOM 0 HD11 LEU A 37 4.160 -4.091 11.346 1.00 23.12 H new ATOM 0 HD12 LEU A 37 4.096 -4.445 9.603 1.00 23.12 H new ATOM 0 HD13 LEU A 37 2.611 -3.999 10.476 1.00 23.12 H new ATOM 0 HD21 LEU A 37 3.235 -5.691 12.987 1.00 33.25 H new ATOM 0 HD22 LEU A 37 1.642 -5.673 12.193 1.00 33.25 H new ATOM 0 HD23 LEU A 37 2.495 -7.215 12.443 1.00 33.25 H new ATOM 616 N ASN A 38 1.808 -8.929 7.634 1.00 34.03 N ATOM 617 CA ASN A 38 1.034 -9.434 6.495 1.00 40.11 C ATOM 618 C ASN A 38 0.383 -10.787 6.833 1.00 53.34 C ATOM 619 O ASN A 38 -0.763 -11.044 6.468 1.00 60.22 O ATOM 620 CB ASN A 38 1.941 -9.571 5.265 1.00 44.54 C ATOM 621 CG ASN A 38 1.171 -9.861 3.989 1.00 2.24 C ATOM 622 OD1 ASN A 38 0.923 -11.009 3.644 1.00 3.23 O ATOM 623 ND2 ASN A 38 0.808 -8.819 3.265 1.00 61.11 N ATOM 0 H ASN A 38 2.803 -8.812 7.442 1.00 34.03 H new ATOM 0 HA ASN A 38 0.240 -8.721 6.273 1.00 40.11 H new ATOM 0 HB2 ASN A 38 2.512 -8.651 5.137 1.00 44.54 H new ATOM 0 HB3 ASN A 38 2.661 -10.371 5.438 1.00 44.54 H new ATOM 0 HD21 ASN A 38 0.305 -8.957 2.389 1.00 61.11 H new ATOM 0 HD22 ASN A 38 1.031 -7.875 3.582 1.00 61.11 H new ATOM 630 N ALA A 39 1.120 -11.634 7.552 1.00 15.01 N ATOM 631 CA ALA A 39 0.599 -12.933 8.001 1.00 24.53 C ATOM 632 C ALA A 39 -0.535 -12.764 9.028 1.00 33.34 C ATOM 633 O ALA A 39 -1.457 -13.577 9.091 1.00 15.14 O ATOM 634 CB ALA A 39 1.726 -13.776 8.591 1.00 2.04 C ATOM 0 H ALA A 39 2.081 -11.447 7.838 1.00 15.01 H new ATOM 0 HA ALA A 39 0.185 -13.445 7.132 1.00 24.53 H new ATOM 0 HB1 ALA A 39 1.328 -14.736 8.920 1.00 2.04 H new ATOM 0 HB2 ALA A 39 2.492 -13.941 7.833 1.00 2.04 H new ATOM 0 HB3 ALA A 39 2.164 -13.254 9.442 1.00 2.04 H new ATOM 640 N LYS A 40 -0.449 -11.711 9.844 1.00 64.43 N ATOM 641 CA LYS A 40 -1.488 -11.409 10.842 1.00 13.21 C ATOM 642 C LYS A 40 -2.565 -10.464 10.278 1.00 63.34 C ATOM 643 O LYS A 40 -3.508 -10.078 10.982 1.00 43.41 O ATOM 644 CB LYS A 40 -0.851 -10.794 12.098 1.00 52.55 C ATOM 645 CG LYS A 40 0.136 -11.723 12.804 1.00 30.44 C ATOM 646 CD LYS A 40 0.650 -11.126 14.113 1.00 62.33 C ATOM 647 CE LYS A 40 1.592 -12.080 14.838 1.00 71.10 C ATOM 648 NZ LYS A 40 2.018 -11.547 16.159 1.00 14.13 N ATOM 0 H LYS A 40 0.328 -11.050 9.836 1.00 64.43 H new ATOM 0 HA LYS A 40 -1.976 -12.347 11.105 1.00 13.21 H new ATOM 0 HB2 LYS A 40 -0.336 -9.875 11.820 1.00 52.55 H new ATOM 0 HB3 LYS A 40 -1.640 -10.518 12.797 1.00 52.55 H new ATOM 0 HG2 LYS A 40 -0.348 -12.679 13.007 1.00 30.44 H new ATOM 0 HG3 LYS A 40 0.979 -11.926 12.143 1.00 30.44 H new ATOM 0 HD2 LYS A 40 1.169 -10.190 13.907 1.00 62.33 H new ATOM 0 HD3 LYS A 40 -0.194 -10.887 14.760 1.00 62.33 H new ATOM 0 HE2 LYS A 40 1.097 -13.041 14.978 1.00 71.10 H new ATOM 0 HE3 LYS A 40 2.471 -12.261 14.220 1.00 71.10 H new ATOM 0 HZ1 LYS A 40 3.040 -11.698 16.281 1.00 14.13 H new ATOM 0 HZ2 LYS A 40 1.810 -10.529 16.206 1.00 14.13 H new ATOM 0 HZ3 LYS A 40 1.502 -12.041 16.915 1.00 14.13 H new ATOM 662 N SER A 41 -2.415 -10.086 9.012 1.00 74.34 N ATOM 663 CA SER A 41 -3.408 -9.250 8.325 1.00 24.13 C ATOM 664 C SER A 41 -4.627 -10.078 7.898 1.00 23.34 C ATOM 665 O SER A 41 -4.574 -10.828 6.919 1.00 71.52 O ATOM 666 CB SER A 41 -2.792 -8.576 7.091 1.00 10.13 C ATOM 667 OG SER A 41 -3.698 -7.661 6.494 1.00 3.20 O ATOM 0 H SER A 41 -1.614 -10.344 8.435 1.00 74.34 H new ATOM 0 HA SER A 41 -3.732 -8.483 9.028 1.00 24.13 H new ATOM 0 HB2 SER A 41 -1.880 -8.052 7.378 1.00 10.13 H new ATOM 0 HB3 SER A 41 -2.508 -9.336 6.363 1.00 10.13 H new ATOM 0 HG SER A 41 -3.940 -7.978 5.599 1.00 3.20 H new ATOM 673 N SER A 42 -5.723 -9.943 8.639 1.00 25.30 N ATOM 674 CA SER A 42 -6.954 -10.699 8.353 1.00 31.14 C ATOM 675 C SER A 42 -7.856 -9.960 7.358 1.00 2.42 C ATOM 676 O SER A 42 -8.686 -10.570 6.680 1.00 61.45 O ATOM 677 CB SER A 42 -7.727 -10.963 9.654 1.00 60.51 C ATOM 678 OG SER A 42 -8.907 -11.718 9.417 1.00 53.24 O ATOM 0 H SER A 42 -5.791 -9.319 9.443 1.00 25.30 H new ATOM 0 HA SER A 42 -6.660 -11.647 7.902 1.00 31.14 H new ATOM 0 HB2 SER A 42 -7.087 -11.498 10.356 1.00 60.51 H new ATOM 0 HB3 SER A 42 -7.989 -10.014 10.121 1.00 60.51 H new ATOM 0 HG SER A 42 -9.374 -11.870 10.265 1.00 53.24 H new ATOM 684 N SER A 43 -7.687 -8.645 7.276 1.00 60.23 N ATOM 685 CA SER A 43 -8.488 -7.800 6.377 1.00 33.13 C ATOM 686 C SER A 43 -7.591 -6.862 5.557 1.00 61.12 C ATOM 687 O SER A 43 -7.087 -5.859 6.071 1.00 33.10 O ATOM 688 CB SER A 43 -9.503 -6.976 7.185 1.00 0.20 C ATOM 689 OG SER A 43 -8.852 -6.161 8.153 1.00 53.23 O ATOM 0 H SER A 43 -6.997 -8.131 7.824 1.00 60.23 H new ATOM 0 HA SER A 43 -9.023 -8.454 5.689 1.00 33.13 H new ATOM 0 HB2 SER A 43 -10.085 -6.348 6.510 1.00 0.20 H new ATOM 0 HB3 SER A 43 -10.205 -7.645 7.682 1.00 0.20 H new ATOM 0 HG SER A 43 -8.058 -5.749 7.753 1.00 53.23 H new ATOM 695 N GLY A 44 -7.403 -7.190 4.277 1.00 13.43 N ATOM 696 CA GLY A 44 -6.513 -6.415 3.419 1.00 40.51 C ATOM 697 C GLY A 44 -5.057 -6.863 3.515 1.00 12.34 C ATOM 698 O GLY A 44 -4.770 -7.969 3.973 1.00 4.43 O ATOM 0 H GLY A 44 -7.853 -7.982 3.817 1.00 13.43 H new ATOM 0 HA2 GLY A 44 -6.847 -6.501 2.385 1.00 40.51 H new ATOM 0 HA3 GLY A 44 -6.582 -5.361 3.689 1.00 40.51 H new ATOM 702 N VAL A 45 -4.133 -6.009 3.074 1.00 1.34 N ATOM 703 CA VAL A 45 -2.698 -6.322 3.135 1.00 54.13 C ATOM 704 C VAL A 45 -1.884 -5.163 3.728 1.00 72.42 C ATOM 705 O VAL A 45 -2.213 -3.994 3.526 1.00 11.14 O ATOM 706 CB VAL A 45 -2.128 -6.671 1.732 1.00 50.44 C ATOM 707 CG1 VAL A 45 -2.752 -7.956 1.197 1.00 74.22 C ATOM 708 CG2 VAL A 45 -2.341 -5.517 0.753 1.00 24.52 C ATOM 0 H VAL A 45 -4.348 -5.097 2.671 1.00 1.34 H new ATOM 0 HA VAL A 45 -2.605 -7.190 3.787 1.00 54.13 H new ATOM 0 HB VAL A 45 -1.055 -6.832 1.836 1.00 50.44 H new ATOM 0 HG11 VAL A 45 -2.338 -8.180 0.214 1.00 74.22 H new ATOM 0 HG12 VAL A 45 -2.533 -8.778 1.879 1.00 74.22 H new ATOM 0 HG13 VAL A 45 -3.832 -7.830 1.115 1.00 74.22 H new ATOM 0 HG21 VAL A 45 -1.933 -5.786 -0.221 1.00 24.52 H new ATOM 0 HG22 VAL A 45 -3.408 -5.314 0.656 1.00 24.52 H new ATOM 0 HG23 VAL A 45 -1.834 -4.626 1.125 1.00 24.52 H new ATOM 718 N TYR A 46 -0.823 -5.497 4.466 1.00 10.45 N ATOM 719 CA TYR A 46 0.087 -4.488 5.029 1.00 0.43 C ATOM 720 C TYR A 46 1.332 -4.285 4.151 1.00 55.22 C ATOM 721 O TYR A 46 2.089 -5.223 3.903 1.00 22.02 O ATOM 722 CB TYR A 46 0.530 -4.882 6.449 1.00 31.44 C ATOM 723 CG TYR A 46 -0.510 -4.616 7.521 1.00 23.22 C ATOM 724 CD1 TYR A 46 -0.717 -3.329 8.007 1.00 42.33 C ATOM 725 CD2 TYR A 46 -1.282 -5.645 8.045 1.00 75.42 C ATOM 726 CE1 TYR A 46 -1.659 -3.079 8.985 1.00 35.03 C ATOM 727 CE2 TYR A 46 -2.228 -5.402 9.022 1.00 21.30 C ATOM 728 CZ TYR A 46 -2.413 -4.117 9.488 1.00 1.44 C ATOM 729 OH TYR A 46 -3.355 -3.868 10.458 1.00 41.34 O ATOM 0 H TYR A 46 -0.570 -6.459 4.690 1.00 10.45 H new ATOM 0 HA TYR A 46 -0.468 -3.550 5.065 1.00 0.43 H new ATOM 0 HB2 TYR A 46 0.782 -5.943 6.458 1.00 31.44 H new ATOM 0 HB3 TYR A 46 1.440 -4.336 6.698 1.00 31.44 H new ATOM 0 HD1 TYR A 46 -0.131 -2.512 7.613 1.00 42.33 H new ATOM 0 HD2 TYR A 46 -1.140 -6.652 7.682 1.00 75.42 H new ATOM 0 HE1 TYR A 46 -1.804 -2.074 9.354 1.00 35.03 H new ATOM 0 HE2 TYR A 46 -2.820 -6.214 9.419 1.00 21.30 H new ATOM 0 HH TYR A 46 -3.801 -4.705 10.704 1.00 41.34 H new ATOM 739 N LEU A 47 1.521 -3.054 3.683 1.00 34.11 N ATOM 740 CA LEU A 47 2.745 -2.643 2.987 1.00 62.23 C ATOM 741 C LEU A 47 3.516 -1.625 3.845 1.00 14.25 C ATOM 742 O LEU A 47 2.921 -0.717 4.424 1.00 60.32 O ATOM 743 CB LEU A 47 2.396 -2.022 1.623 1.00 35.24 C ATOM 744 CG LEU A 47 1.822 -2.995 0.577 1.00 32.42 C ATOM 745 CD1 LEU A 47 1.267 -2.236 -0.628 1.00 5.45 C ATOM 746 CD2 LEU A 47 2.884 -4.000 0.132 1.00 24.34 C ATOM 0 H LEU A 47 0.830 -2.309 3.774 1.00 34.11 H new ATOM 0 HA LEU A 47 3.371 -3.520 2.824 1.00 62.23 H new ATOM 0 HB2 LEU A 47 1.674 -1.221 1.783 1.00 35.24 H new ATOM 0 HB3 LEU A 47 3.295 -1.564 1.212 1.00 35.24 H new ATOM 0 HG LEU A 47 1.003 -3.543 1.042 1.00 32.42 H new ATOM 0 HD11 LEU A 47 0.867 -2.946 -1.352 1.00 5.45 H new ATOM 0 HD12 LEU A 47 0.473 -1.565 -0.301 1.00 5.45 H new ATOM 0 HD13 LEU A 47 2.065 -1.655 -1.091 1.00 5.45 H new ATOM 0 HD21 LEU A 47 2.457 -4.678 -0.607 1.00 24.34 H new ATOM 0 HD22 LEU A 47 3.727 -3.468 -0.308 1.00 24.34 H new ATOM 0 HD23 LEU A 47 3.227 -4.573 0.994 1.00 24.34 H new ATOM 758 N LEU A 48 4.831 -1.784 3.943 1.00 44.43 N ATOM 759 CA LEU A 48 5.658 -0.869 4.740 1.00 2.41 C ATOM 760 C LEU A 48 6.495 0.056 3.841 1.00 31.32 C ATOM 761 O LEU A 48 7.189 -0.407 2.938 1.00 2.23 O ATOM 762 CB LEU A 48 6.587 -1.656 5.679 1.00 71.43 C ATOM 763 CG LEU A 48 5.884 -2.500 6.759 1.00 55.00 C ATOM 764 CD1 LEU A 48 6.907 -3.143 7.696 1.00 74.35 C ATOM 765 CD2 LEU A 48 4.890 -1.652 7.552 1.00 73.24 C ATOM 0 H LEU A 48 5.351 -2.533 3.485 1.00 44.43 H new ATOM 0 HA LEU A 48 4.983 -0.254 5.336 1.00 2.41 H new ATOM 0 HB2 LEU A 48 7.209 -2.317 5.075 1.00 71.43 H new ATOM 0 HB3 LEU A 48 7.256 -0.951 6.173 1.00 71.43 H new ATOM 0 HG LEU A 48 5.331 -3.294 6.258 1.00 55.00 H new ATOM 0 HD11 LEU A 48 6.388 -3.734 8.451 1.00 74.35 H new ATOM 0 HD12 LEU A 48 7.571 -3.789 7.122 1.00 74.35 H new ATOM 0 HD13 LEU A 48 7.493 -2.364 8.185 1.00 74.35 H new ATOM 0 HD21 LEU A 48 4.406 -2.270 8.308 1.00 73.24 H new ATOM 0 HD22 LEU A 48 5.418 -0.831 8.037 1.00 73.24 H new ATOM 0 HD23 LEU A 48 4.136 -1.249 6.876 1.00 73.24 H new ATOM 777 N PRO A 49 6.464 1.380 4.095 1.00 64.04 N ATOM 778 CA PRO A 49 7.234 2.361 3.299 1.00 43.03 C ATOM 779 C PRO A 49 8.752 2.110 3.349 1.00 21.22 C ATOM 780 O PRO A 49 9.478 2.417 2.401 1.00 64.52 O ATOM 781 CB PRO A 49 6.882 3.710 3.950 1.00 55.02 C ATOM 782 CG PRO A 49 6.383 3.360 5.313 1.00 4.45 C ATOM 783 CD PRO A 49 5.691 2.032 5.168 1.00 11.20 C ATOM 0 HA PRO A 49 6.982 2.307 2.240 1.00 43.03 H new ATOM 0 HB2 PRO A 49 7.754 4.362 4.004 1.00 55.02 H new ATOM 0 HB3 PRO A 49 6.122 4.240 3.375 1.00 55.02 H new ATOM 0 HG2 PRO A 49 7.205 3.297 6.026 1.00 4.45 H new ATOM 0 HG3 PRO A 49 5.696 4.120 5.685 1.00 4.45 H new ATOM 0 HD2 PRO A 49 5.719 1.457 6.094 1.00 11.20 H new ATOM 0 HD3 PRO A 49 4.642 2.149 4.897 1.00 11.20 H new ATOM 791 N GLY A 50 9.221 1.555 4.467 1.00 63.02 N ATOM 792 CA GLY A 50 10.629 1.195 4.603 1.00 21.51 C ATOM 793 C GLY A 50 10.967 -0.149 3.956 1.00 31.23 C ATOM 794 O GLY A 50 12.138 -0.482 3.771 1.00 73.12 O ATOM 0 H GLY A 50 8.649 1.347 5.286 1.00 63.02 H new ATOM 0 HA2 GLY A 50 11.243 1.974 4.151 1.00 21.51 H new ATOM 0 HA3 GLY A 50 10.888 1.158 5.661 1.00 21.51 H new ATOM 798 N ALA A 51 9.938 -0.921 3.607 1.00 14.15 N ATOM 799 CA ALA A 51 10.120 -2.235 2.980 1.00 20.34 C ATOM 800 C ALA A 51 9.441 -2.290 1.603 1.00 35.01 C ATOM 801 O ALA A 51 8.362 -2.863 1.449 1.00 41.01 O ATOM 802 CB ALA A 51 9.580 -3.336 3.892 1.00 23.01 C ATOM 0 H ALA A 51 8.962 -0.659 3.748 1.00 14.15 H new ATOM 0 HA ALA A 51 11.188 -2.397 2.832 1.00 20.34 H new ATOM 0 HB1 ALA A 51 9.721 -4.306 3.415 1.00 23.01 H new ATOM 0 HB2 ALA A 51 10.115 -3.317 4.841 1.00 23.01 H new ATOM 0 HB3 ALA A 51 8.518 -3.171 4.071 1.00 23.01 H new ATOM 808 N LYS A 52 10.077 -1.677 0.607 1.00 32.44 N ATOM 809 CA LYS A 52 9.517 -1.612 -0.746 1.00 51.15 C ATOM 810 C LYS A 52 9.494 -2.995 -1.422 1.00 44.34 C ATOM 811 O LYS A 52 10.366 -3.318 -2.233 1.00 14.42 O ATOM 812 CB LYS A 52 10.316 -0.613 -1.598 1.00 0.24 C ATOM 813 CG LYS A 52 10.252 0.825 -1.087 1.00 15.22 C ATOM 814 CD LYS A 52 11.103 1.774 -1.932 1.00 72.22 C ATOM 815 CE LYS A 52 12.598 1.520 -1.756 1.00 23.23 C ATOM 816 NZ LYS A 52 13.053 1.809 -0.370 1.00 54.32 N ATOM 0 H LYS A 52 10.982 -1.217 0.709 1.00 32.44 H new ATOM 0 HA LYS A 52 8.485 -1.271 -0.664 1.00 51.15 H new ATOM 0 HB2 LYS A 52 11.358 -0.931 -1.631 1.00 0.24 H new ATOM 0 HB3 LYS A 52 9.941 -0.642 -2.621 1.00 0.24 H new ATOM 0 HG2 LYS A 52 9.217 1.165 -1.092 1.00 15.22 H new ATOM 0 HG3 LYS A 52 10.593 0.857 -0.052 1.00 15.22 H new ATOM 0 HD2 LYS A 52 10.838 1.659 -2.983 1.00 72.22 H new ATOM 0 HD3 LYS A 52 10.877 2.804 -1.657 1.00 72.22 H new ATOM 0 HE2 LYS A 52 12.821 0.482 -2.001 1.00 23.23 H new ATOM 0 HE3 LYS A 52 13.156 2.140 -2.457 1.00 23.23 H new ATOM 0 HZ1 LYS A 52 14.092 1.839 -0.345 1.00 54.32 H new ATOM 0 HZ2 LYS A 52 12.673 2.727 -0.064 1.00 54.32 H new ATOM 0 HZ3 LYS A 52 12.713 1.063 0.270 1.00 54.32 H new ATOM 830 N THR A 53 8.493 -3.806 -1.079 1.00 21.03 N ATOM 831 CA THR A 53 8.370 -5.173 -1.613 1.00 52.10 C ATOM 832 C THR A 53 6.928 -5.504 -2.027 1.00 73.34 C ATOM 833 O THR A 53 5.971 -4.946 -1.488 1.00 5.55 O ATOM 834 CB THR A 53 8.849 -6.234 -0.587 1.00 50.43 C ATOM 835 OG1 THR A 53 8.337 -5.937 0.721 1.00 52.41 O ATOM 836 CG2 THR A 53 10.372 -6.317 -0.546 1.00 12.23 C ATOM 0 H THR A 53 7.750 -3.543 -0.431 1.00 21.03 H new ATOM 0 HA THR A 53 9.009 -5.207 -2.495 1.00 52.10 H new ATOM 0 HB THR A 53 8.464 -7.202 -0.907 1.00 50.43 H new ATOM 0 HG1 THR A 53 8.647 -6.616 1.356 1.00 52.41 H new ATOM 0 HG21 THR A 53 10.676 -7.069 0.182 1.00 12.23 H new ATOM 0 HG22 THR A 53 10.748 -6.593 -1.531 1.00 12.23 H new ATOM 0 HG23 THR A 53 10.782 -5.348 -0.260 1.00 12.23 H new ATOM 844 N PRO A 54 6.760 -6.422 -3.003 1.00 71.35 N ATOM 845 CA PRO A 54 5.433 -6.844 -3.493 1.00 32.24 C ATOM 846 C PRO A 54 4.635 -7.705 -2.492 1.00 53.42 C ATOM 847 O PRO A 54 5.199 -8.499 -1.738 1.00 22.04 O ATOM 848 CB PRO A 54 5.773 -7.667 -4.745 1.00 64.13 C ATOM 849 CG PRO A 54 7.147 -8.190 -4.482 1.00 73.30 C ATOM 850 CD PRO A 54 7.855 -7.102 -3.727 1.00 44.23 C ATOM 0 HA PRO A 54 4.790 -5.982 -3.670 1.00 32.24 H new ATOM 0 HB2 PRO A 54 5.060 -8.478 -4.893 1.00 64.13 H new ATOM 0 HB3 PRO A 54 5.747 -7.052 -5.644 1.00 64.13 H new ATOM 0 HG2 PRO A 54 7.111 -9.111 -3.901 1.00 73.30 H new ATOM 0 HG3 PRO A 54 7.664 -8.421 -5.414 1.00 73.30 H new ATOM 0 HD2 PRO A 54 8.600 -7.507 -3.042 1.00 44.23 H new ATOM 0 HD3 PRO A 54 8.377 -6.421 -4.399 1.00 44.23 H new ATOM 858 N ALA A 55 3.312 -7.546 -2.515 1.00 41.21 N ATOM 859 CA ALA A 55 2.399 -8.326 -1.672 1.00 53.00 C ATOM 860 C ALA A 55 1.116 -8.683 -2.442 1.00 11.02 C ATOM 861 O ALA A 55 0.580 -7.864 -3.190 1.00 40.21 O ATOM 862 CB ALA A 55 2.055 -7.547 -0.408 1.00 33.10 C ATOM 0 H ALA A 55 2.840 -6.873 -3.118 1.00 41.21 H new ATOM 0 HA ALA A 55 2.899 -9.253 -1.391 1.00 53.00 H new ATOM 0 HB1 ALA A 55 1.377 -8.136 0.209 1.00 33.10 H new ATOM 0 HB2 ALA A 55 2.967 -7.340 0.151 1.00 33.10 H new ATOM 0 HB3 ALA A 55 1.574 -6.607 -0.679 1.00 33.10 H new ATOM 868 N ARG A 56 0.624 -9.907 -2.259 1.00 55.15 N ATOM 869 CA ARG A 56 -0.576 -10.369 -2.971 1.00 42.14 C ATOM 870 C ARG A 56 -1.868 -9.973 -2.237 1.00 32.33 C ATOM 871 O ARG A 56 -1.950 -10.050 -1.014 1.00 63.22 O ATOM 872 CB ARG A 56 -0.525 -11.887 -3.164 1.00 21.53 C ATOM 873 CG ARG A 56 -1.742 -12.463 -3.888 1.00 13.52 C ATOM 874 CD ARG A 56 -1.535 -13.926 -4.252 1.00 31.54 C ATOM 875 NE ARG A 56 -0.404 -14.096 -5.163 1.00 34.43 N ATOM 876 CZ ARG A 56 0.568 -14.947 -4.985 1.00 40.53 C ATOM 877 NH1 ARG A 56 0.604 -15.702 -3.932 1.00 54.14 N ATOM 878 NH2 ARG A 56 1.514 -15.021 -5.863 1.00 60.31 N ATOM 0 H ARG A 56 1.032 -10.597 -1.628 1.00 55.15 H new ATOM 0 HA ARG A 56 -0.587 -9.880 -3.945 1.00 42.14 H new ATOM 0 HB2 ARG A 56 0.373 -12.141 -3.726 1.00 21.53 H new ATOM 0 HB3 ARG A 56 -0.436 -12.364 -2.188 1.00 21.53 H new ATOM 0 HG2 ARG A 56 -2.623 -12.366 -3.254 1.00 13.52 H new ATOM 0 HG3 ARG A 56 -1.935 -11.886 -4.792 1.00 13.52 H new ATOM 0 HD2 ARG A 56 -1.364 -14.507 -3.346 1.00 31.54 H new ATOM 0 HD3 ARG A 56 -2.440 -14.318 -4.716 1.00 31.54 H new ATOM 0 HE ARG A 56 -0.373 -13.508 -5.996 1.00 34.43 H new ATOM 0 HH11 ARG A 56 -0.134 -15.635 -3.231 1.00 54.14 H new ATOM 0 HH12 ARG A 56 1.370 -16.364 -3.805 1.00 54.14 H new ATOM 0 HH21 ARG A 56 1.495 -14.417 -6.685 1.00 60.31 H new ATOM 0 HH22 ARG A 56 2.279 -15.683 -5.734 1.00 60.31 H new ATOM 892 N LEU A 57 -2.874 -9.567 -3.006 1.00 43.14 N ATOM 893 CA LEU A 57 -4.155 -9.122 -2.452 1.00 43.45 C ATOM 894 C LEU A 57 -5.324 -9.543 -3.358 1.00 11.33 C ATOM 895 O LEU A 57 -5.297 -9.318 -4.568 1.00 34.04 O ATOM 896 CB LEU A 57 -4.141 -7.592 -2.284 1.00 64.05 C ATOM 897 CG LEU A 57 -5.503 -6.923 -2.000 1.00 31.15 C ATOM 898 CD1 LEU A 57 -6.109 -7.423 -0.691 1.00 22.11 C ATOM 899 CD2 LEU A 57 -5.364 -5.400 -1.981 1.00 41.04 C ATOM 0 H LEU A 57 -2.828 -9.536 -4.025 1.00 43.14 H new ATOM 0 HA LEU A 57 -4.295 -9.594 -1.479 1.00 43.45 H new ATOM 0 HB2 LEU A 57 -3.461 -7.343 -1.469 1.00 64.05 H new ATOM 0 HB3 LEU A 57 -3.726 -7.152 -3.191 1.00 64.05 H new ATOM 0 HG LEU A 57 -6.181 -7.200 -2.807 1.00 31.15 H new ATOM 0 HD11 LEU A 57 -7.067 -6.931 -0.522 1.00 22.11 H new ATOM 0 HD12 LEU A 57 -6.259 -8.501 -0.748 1.00 22.11 H new ATOM 0 HD13 LEU A 57 -5.434 -7.194 0.133 1.00 22.11 H new ATOM 0 HD21 LEU A 57 -6.335 -4.948 -1.779 1.00 41.04 H new ATOM 0 HD22 LEU A 57 -4.660 -5.109 -1.202 1.00 41.04 H new ATOM 0 HD23 LEU A 57 -4.998 -5.056 -2.948 1.00 41.04 H new ATOM 911 N GLU A 58 -6.344 -10.165 -2.772 1.00 32.44 N ATOM 912 CA GLU A 58 -7.554 -10.511 -3.521 1.00 34.54 C ATOM 913 C GLU A 58 -8.508 -9.312 -3.597 1.00 30.24 C ATOM 914 O GLU A 58 -8.686 -8.571 -2.626 1.00 72.12 O ATOM 915 CB GLU A 58 -8.265 -11.719 -2.895 1.00 4.52 C ATOM 916 CG GLU A 58 -9.551 -12.107 -3.620 1.00 31.51 C ATOM 917 CD GLU A 58 -10.138 -13.420 -3.132 1.00 53.31 C ATOM 918 OE1 GLU A 58 -10.659 -13.465 -1.997 1.00 53.34 O ATOM 919 OE2 GLU A 58 -10.086 -14.419 -3.886 1.00 23.11 O ATOM 0 H GLU A 58 -6.360 -10.439 -1.790 1.00 32.44 H new ATOM 0 HA GLU A 58 -7.253 -10.780 -4.533 1.00 34.54 H new ATOM 0 HB2 GLU A 58 -7.585 -12.571 -2.894 1.00 4.52 H new ATOM 0 HB3 GLU A 58 -8.497 -11.496 -1.854 1.00 4.52 H new ATOM 0 HG2 GLU A 58 -10.288 -11.315 -3.488 1.00 31.51 H new ATOM 0 HG3 GLU A 58 -9.350 -12.181 -4.689 1.00 31.51 H new ATOM 926 N SER A 59 -9.121 -9.130 -4.759 1.00 22.53 N ATOM 927 CA SER A 59 -10.001 -7.984 -5.002 1.00 14.31 C ATOM 928 C SER A 59 -11.389 -8.434 -5.453 1.00 63.11 C ATOM 929 O SER A 59 -11.688 -9.627 -5.497 1.00 53.04 O ATOM 930 CB SER A 59 -9.400 -7.083 -6.082 1.00 43.32 C ATOM 931 OG SER A 59 -9.446 -7.713 -7.353 1.00 4.05 O ATOM 0 H SER A 59 -9.027 -9.762 -5.554 1.00 22.53 H new ATOM 0 HA SER A 59 -10.096 -7.437 -4.064 1.00 14.31 H new ATOM 0 HB2 SER A 59 -9.946 -6.140 -6.119 1.00 43.32 H new ATOM 0 HB3 SER A 59 -8.367 -6.844 -5.828 1.00 43.32 H new ATOM 0 HG SER A 59 -9.458 -8.686 -7.236 1.00 4.05 H new ATOM 937 N GLN A 60 -12.232 -7.471 -5.801 1.00 22.24 N ATOM 938 CA GLN A 60 -13.569 -7.760 -6.323 1.00 33.41 C ATOM 939 C GLN A 60 -13.559 -7.873 -7.861 1.00 22.02 C ATOM 940 O GLN A 60 -14.613 -7.897 -8.499 1.00 11.55 O ATOM 941 CB GLN A 60 -14.545 -6.673 -5.847 1.00 35.15 C ATOM 942 CG GLN A 60 -14.758 -6.690 -4.334 1.00 0.12 C ATOM 943 CD GLN A 60 -15.572 -5.513 -3.825 1.00 45.12 C ATOM 944 OE1 GLN A 60 -14.894 -4.453 -3.428 1.00 13.42 O flip ATOM 945 NE2 GLN A 60 -16.793 -5.560 -3.774 1.00 21.31 N flip ATOM 0 H GLN A 60 -12.016 -6.477 -5.732 1.00 22.24 H new ATOM 0 HA GLN A 60 -13.899 -8.725 -5.939 1.00 33.41 H new ATOM 0 HB2 GLN A 60 -14.166 -5.695 -6.145 1.00 35.15 H new ATOM 0 HB3 GLN A 60 -15.505 -6.809 -6.346 1.00 35.15 H new ATOM 0 HG2 GLN A 60 -15.260 -7.617 -4.056 1.00 0.12 H new ATOM 0 HG3 GLN A 60 -13.787 -6.692 -3.838 1.00 0.12 H new ATOM 0 HE21 GLN A 60 -17.285 -6.396 -4.090 1.00 21.31 H new ATOM 0 HE22 GLN A 60 -17.320 -4.763 -3.416 1.00 21.31 H new ATOM 954 N ILE A 61 -12.356 -7.936 -8.446 1.00 61.13 N ATOM 955 CA ILE A 61 -12.188 -8.196 -9.888 1.00 74.24 C ATOM 956 C ILE A 61 -11.330 -9.454 -10.131 1.00 22.12 C ATOM 957 O ILE A 61 -11.150 -9.887 -11.272 1.00 40.22 O ATOM 958 CB ILE A 61 -11.529 -6.996 -10.623 1.00 52.14 C ATOM 959 CG1 ILE A 61 -10.080 -6.784 -10.144 1.00 75.33 C ATOM 960 CG2 ILE A 61 -12.352 -5.726 -10.427 1.00 1.32 C ATOM 961 CD1 ILE A 61 -9.339 -5.687 -10.885 1.00 44.44 C ATOM 0 H ILE A 61 -11.478 -7.810 -7.942 1.00 61.13 H new ATOM 0 HA ILE A 61 -13.190 -8.349 -10.289 1.00 74.24 H new ATOM 0 HB ILE A 61 -11.502 -7.227 -11.688 1.00 52.14 H new ATOM 0 HG12 ILE A 61 -10.091 -6.546 -9.080 1.00 75.33 H new ATOM 0 HG13 ILE A 61 -9.531 -7.719 -10.256 1.00 75.33 H new ATOM 0 HG21 ILE A 61 -11.873 -4.898 -10.950 1.00 1.32 H new ATOM 0 HG22 ILE A 61 -13.355 -5.877 -10.827 1.00 1.32 H new ATOM 0 HG23 ILE A 61 -12.417 -5.495 -9.364 1.00 1.32 H new ATOM 0 HD11 ILE A 61 -8.327 -5.600 -10.489 1.00 44.44 H new ATOM 0 HD12 ILE A 61 -9.294 -5.931 -11.946 1.00 44.44 H new ATOM 0 HD13 ILE A 61 -9.863 -4.740 -10.752 1.00 44.44 H new ATOM 973 N GLY A 62 -10.814 -10.034 -9.049 1.00 71.30 N ATOM 974 CA GLY A 62 -9.915 -11.186 -9.145 1.00 4.12 C ATOM 975 C GLY A 62 -8.741 -11.092 -8.174 1.00 41.33 C ATOM 976 O GLY A 62 -8.736 -10.255 -7.273 1.00 51.40 O ATOM 0 H GLY A 62 -11.002 -9.726 -8.095 1.00 71.30 H new ATOM 0 HA2 GLY A 62 -10.476 -12.099 -8.945 1.00 4.12 H new ATOM 0 HA3 GLY A 62 -9.535 -11.263 -10.164 1.00 4.12 H new ATOM 980 N THR A 63 -7.741 -11.950 -8.349 1.00 70.24 N ATOM 981 CA THR A 63 -6.553 -11.937 -7.482 1.00 34.44 C ATOM 982 C THR A 63 -5.429 -11.086 -8.089 1.00 45.05 C ATOM 983 O THR A 63 -4.971 -11.347 -9.203 1.00 45.45 O ATOM 984 CB THR A 63 -6.017 -13.368 -7.227 1.00 73.35 C ATOM 985 OG1 THR A 63 -7.035 -14.179 -6.616 1.00 65.44 O ATOM 986 CG2 THR A 63 -4.784 -13.347 -6.327 1.00 52.44 C ATOM 0 H THR A 63 -7.723 -12.663 -9.078 1.00 70.24 H new ATOM 0 HA THR A 63 -6.866 -11.500 -6.534 1.00 34.44 H new ATOM 0 HB THR A 63 -5.737 -13.792 -8.192 1.00 73.35 H new ATOM 0 HG1 THR A 63 -6.685 -15.081 -6.461 1.00 65.44 H new ATOM 0 HG21 THR A 63 -4.433 -14.366 -6.167 1.00 52.44 H new ATOM 0 HG22 THR A 63 -3.997 -12.762 -6.802 1.00 52.44 H new ATOM 0 HG23 THR A 63 -5.041 -12.898 -5.368 1.00 52.44 H new ATOM 994 N LEU A 64 -4.978 -10.071 -7.352 1.00 32.32 N ATOM 995 CA LEU A 64 -3.903 -9.191 -7.828 1.00 11.10 C ATOM 996 C LEU A 64 -2.713 -9.154 -6.848 1.00 62.23 C ATOM 997 O LEU A 64 -2.694 -9.865 -5.843 1.00 15.52 O ATOM 998 CB LEU A 64 -4.454 -7.776 -8.123 1.00 24.23 C ATOM 999 CG LEU A 64 -5.304 -7.115 -7.015 1.00 42.01 C ATOM 1000 CD1 LEU A 64 -4.429 -6.598 -5.873 1.00 12.13 C ATOM 1001 CD2 LEU A 64 -6.154 -5.986 -7.598 1.00 62.25 C ATOM 0 H LEU A 64 -5.336 -9.836 -6.426 1.00 32.32 H new ATOM 0 HA LEU A 64 -3.519 -9.603 -8.761 1.00 11.10 H new ATOM 0 HB2 LEU A 64 -3.610 -7.121 -8.340 1.00 24.23 H new ATOM 0 HB3 LEU A 64 -5.058 -7.829 -9.029 1.00 24.23 H new ATOM 0 HG LEU A 64 -5.968 -7.875 -6.603 1.00 42.01 H new ATOM 0 HD11 LEU A 64 -5.059 -6.139 -5.111 1.00 12.13 H new ATOM 0 HD12 LEU A 64 -3.875 -7.428 -5.434 1.00 12.13 H new ATOM 0 HD13 LEU A 64 -3.728 -5.858 -6.258 1.00 12.13 H new ATOM 0 HD21 LEU A 64 -6.747 -5.530 -6.805 1.00 62.25 H new ATOM 0 HD22 LEU A 64 -5.503 -5.233 -8.043 1.00 62.25 H new ATOM 0 HD23 LEU A 64 -6.819 -6.388 -8.362 1.00 62.25 H new ATOM 1013 N ARG A 65 -1.723 -8.325 -7.160 1.00 54.43 N ATOM 1014 CA ARG A 65 -0.440 -8.317 -6.446 1.00 54.20 C ATOM 1015 C ARG A 65 0.201 -6.915 -6.492 1.00 73.24 C ATOM 1016 O ARG A 65 0.725 -6.489 -7.516 1.00 61.44 O ATOM 1017 CB ARG A 65 0.454 -9.389 -7.095 1.00 44.32 C ATOM 1018 CG ARG A 65 1.940 -9.321 -6.775 1.00 32.22 C ATOM 1019 CD ARG A 65 2.678 -10.479 -7.445 1.00 24.20 C ATOM 1020 NE ARG A 65 4.119 -10.267 -7.524 1.00 61.52 N ATOM 1021 CZ ARG A 65 4.972 -11.195 -7.873 1.00 54.01 C ATOM 1022 NH1 ARG A 65 4.568 -12.400 -8.127 1.00 43.24 N ATOM 1023 NH2 ARG A 65 6.229 -10.918 -7.985 1.00 2.20 N ATOM 0 H ARG A 65 -1.781 -7.639 -7.912 1.00 54.43 H new ATOM 0 HA ARG A 65 -0.578 -8.550 -5.390 1.00 54.20 H new ATOM 0 HB2 ARG A 65 0.085 -10.369 -6.793 1.00 44.32 H new ATOM 0 HB3 ARG A 65 0.335 -9.323 -8.176 1.00 44.32 H new ATOM 0 HG2 ARG A 65 2.350 -8.371 -7.119 1.00 32.22 H new ATOM 0 HG3 ARG A 65 2.089 -9.361 -5.696 1.00 32.22 H new ATOM 0 HD2 ARG A 65 2.481 -11.397 -6.891 1.00 24.20 H new ATOM 0 HD3 ARG A 65 2.282 -10.622 -8.450 1.00 24.20 H new ATOM 0 HE ARG A 65 4.482 -9.342 -7.294 1.00 61.52 H new ATOM 0 HH11 ARG A 65 3.577 -12.631 -8.055 1.00 43.24 H new ATOM 0 HH12 ARG A 65 5.241 -13.117 -8.398 1.00 43.24 H new ATOM 0 HH21 ARG A 65 6.561 -9.971 -7.801 1.00 2.20 H new ATOM 0 HH22 ARG A 65 6.889 -11.646 -8.258 1.00 2.20 H new ATOM 1037 N MET A 66 0.143 -6.197 -5.373 1.00 62.52 N ATOM 1038 CA MET A 66 0.526 -4.775 -5.329 1.00 11.23 C ATOM 1039 C MET A 66 1.932 -4.557 -4.738 1.00 51.41 C ATOM 1040 O MET A 66 2.508 -5.455 -4.130 1.00 13.42 O ATOM 1041 CB MET A 66 -0.516 -4.004 -4.510 1.00 5.02 C ATOM 1042 CG MET A 66 -1.917 -4.063 -5.110 1.00 64.55 C ATOM 1043 SD MET A 66 -3.181 -3.392 -4.019 1.00 51.23 S ATOM 1044 CE MET A 66 -2.651 -1.691 -3.880 1.00 74.14 C ATOM 0 H MET A 66 -0.166 -6.573 -4.477 1.00 62.52 H new ATOM 0 HA MET A 66 0.557 -4.405 -6.354 1.00 11.23 H new ATOM 0 HB2 MET A 66 -0.544 -4.408 -3.498 1.00 5.02 H new ATOM 0 HB3 MET A 66 -0.206 -2.962 -4.429 1.00 5.02 H new ATOM 0 HG2 MET A 66 -1.927 -3.511 -6.050 1.00 64.55 H new ATOM 0 HG3 MET A 66 -2.161 -5.099 -5.346 1.00 64.55 H new ATOM 0 HE1 MET A 66 -2.393 -1.474 -2.844 1.00 74.14 H new ATOM 0 HE2 MET A 66 -1.778 -1.529 -4.513 1.00 74.14 H new ATOM 0 HE3 MET A 66 -3.458 -1.031 -4.199 1.00 74.14 H new ATOM 1054 N SER A 67 2.477 -3.352 -4.929 1.00 63.04 N ATOM 1055 CA SER A 67 3.804 -2.998 -4.388 1.00 54.52 C ATOM 1056 C SER A 67 4.024 -1.477 -4.366 1.00 23.24 C ATOM 1057 O SER A 67 3.279 -0.717 -4.991 1.00 41.33 O ATOM 1058 CB SER A 67 4.919 -3.656 -5.210 1.00 33.52 C ATOM 1059 OG SER A 67 6.202 -3.305 -4.714 1.00 23.13 O ATOM 0 H SER A 67 2.025 -2.602 -5.453 1.00 63.04 H new ATOM 0 HA SER A 67 3.837 -3.368 -3.363 1.00 54.52 H new ATOM 0 HB2 SER A 67 4.801 -4.739 -5.185 1.00 33.52 H new ATOM 0 HB3 SER A 67 4.834 -3.350 -6.253 1.00 33.52 H new ATOM 0 HG SER A 67 6.893 -3.740 -5.256 1.00 23.13 H new ATOM 1065 N LEU A 68 5.070 -1.045 -3.654 1.00 23.34 N ATOM 1066 CA LEU A 68 5.387 0.385 -3.493 1.00 62.13 C ATOM 1067 C LEU A 68 6.763 0.735 -4.095 1.00 60.14 C ATOM 1068 O LEU A 68 7.786 0.153 -3.719 1.00 12.13 O ATOM 1069 CB LEU A 68 5.370 0.771 -2.003 1.00 22.02 C ATOM 1070 CG LEU A 68 4.032 0.559 -1.274 1.00 23.40 C ATOM 1071 CD1 LEU A 68 4.151 0.944 0.202 1.00 54.02 C ATOM 1072 CD2 LEU A 68 2.917 1.357 -1.946 1.00 41.13 C ATOM 0 H LEU A 68 5.719 -1.669 -3.175 1.00 23.34 H new ATOM 0 HA LEU A 68 4.624 0.949 -4.029 1.00 62.13 H new ATOM 0 HB2 LEU A 68 6.138 0.194 -1.488 1.00 22.02 H new ATOM 0 HB3 LEU A 68 5.648 1.821 -1.916 1.00 22.02 H new ATOM 0 HG LEU A 68 3.780 -0.500 -1.333 1.00 23.40 H new ATOM 0 HD11 LEU A 68 3.193 0.786 0.698 1.00 54.02 H new ATOM 0 HD12 LEU A 68 4.912 0.327 0.679 1.00 54.02 H new ATOM 0 HD13 LEU A 68 4.432 1.994 0.283 1.00 54.02 H new ATOM 0 HD21 LEU A 68 1.980 1.192 -1.414 1.00 41.13 H new ATOM 0 HD22 LEU A 68 3.165 2.418 -1.924 1.00 41.13 H new ATOM 0 HD23 LEU A 68 2.809 1.031 -2.981 1.00 41.13 H new ATOM 1084 N VAL A 69 6.783 1.691 -5.028 1.00 43.21 N ATOM 1085 CA VAL A 69 8.037 2.175 -5.634 1.00 2.20 C ATOM 1086 C VAL A 69 8.032 3.708 -5.785 1.00 23.10 C ATOM 1087 O VAL A 69 7.008 4.354 -5.570 1.00 10.03 O ATOM 1088 CB VAL A 69 8.285 1.532 -7.024 1.00 63.34 C ATOM 1089 CG1 VAL A 69 8.487 0.024 -6.906 1.00 23.42 C ATOM 1090 CG2 VAL A 69 7.136 1.847 -7.976 1.00 13.41 C ATOM 0 H VAL A 69 5.944 2.149 -5.384 1.00 43.21 H new ATOM 0 HA VAL A 69 8.841 1.882 -4.959 1.00 2.20 H new ATOM 0 HB VAL A 69 9.199 1.962 -7.433 1.00 63.34 H new ATOM 0 HG11 VAL A 69 8.659 -0.399 -7.896 1.00 23.42 H new ATOM 0 HG12 VAL A 69 9.349 -0.179 -6.270 1.00 23.42 H new ATOM 0 HG13 VAL A 69 7.598 -0.429 -6.467 1.00 23.42 H new ATOM 0 HG21 VAL A 69 7.330 1.387 -8.945 1.00 13.41 H new ATOM 0 HG22 VAL A 69 6.206 1.453 -7.567 1.00 13.41 H new ATOM 0 HG23 VAL A 69 7.050 2.927 -8.098 1.00 13.41 H new ATOM 1100 N ASN A 70 9.183 4.281 -6.158 1.00 42.34 N ATOM 1101 CA ASN A 70 9.315 5.739 -6.372 1.00 2.34 C ATOM 1102 C ASN A 70 8.910 6.560 -5.130 1.00 30.22 C ATOM 1103 O ASN A 70 8.412 7.679 -5.252 1.00 32.33 O ATOM 1104 CB ASN A 70 8.476 6.182 -7.584 1.00 11.15 C ATOM 1105 CG ASN A 70 8.973 5.581 -8.885 1.00 5.31 C ATOM 1106 OD1 ASN A 70 8.420 4.453 -9.274 1.00 34.41 O flip ATOM 1107 ND2 ASN A 70 9.838 6.138 -9.547 1.00 63.44 N flip ATOM 0 H ASN A 70 10.044 3.759 -6.320 1.00 42.34 H new ATOM 0 HA ASN A 70 10.370 5.934 -6.563 1.00 2.34 H new ATOM 0 HB2 ASN A 70 7.437 5.893 -7.428 1.00 11.15 H new ATOM 0 HB3 ASN A 70 8.497 7.269 -7.658 1.00 11.15 H new ATOM 0 HD21 ASN A 70 10.248 7.012 -9.218 1.00 63.44 H new ATOM 0 HD22 ASN A 70 10.149 5.728 -10.428 1.00 63.44 H new ATOM 1114 N ILE A 71 9.157 6.017 -3.941 1.00 34.04 N ATOM 1115 CA ILE A 71 8.755 6.681 -2.694 1.00 23.15 C ATOM 1116 C ILE A 71 9.620 7.918 -2.398 1.00 52.43 C ATOM 1117 O ILE A 71 10.800 7.802 -2.058 1.00 5.21 O ATOM 1118 CB ILE A 71 8.817 5.709 -1.485 1.00 43.13 C ATOM 1119 CG1 ILE A 71 7.966 4.455 -1.763 1.00 3.20 C ATOM 1120 CG2 ILE A 71 8.348 6.410 -0.205 1.00 0.15 C ATOM 1121 CD1 ILE A 71 7.916 3.477 -0.606 1.00 41.20 C ATOM 0 H ILE A 71 9.631 5.123 -3.810 1.00 34.04 H new ATOM 0 HA ILE A 71 7.724 7.003 -2.838 1.00 23.15 H new ATOM 0 HB ILE A 71 9.852 5.398 -1.342 1.00 43.13 H new ATOM 0 HG12 ILE A 71 6.950 4.765 -2.008 1.00 3.20 H new ATOM 0 HG13 ILE A 71 8.364 3.945 -2.640 1.00 3.20 H new ATOM 0 HG21 ILE A 71 8.399 5.713 0.631 1.00 0.15 H new ATOM 0 HG22 ILE A 71 8.991 7.266 -0.003 1.00 0.15 H new ATOM 0 HG23 ILE A 71 7.320 6.750 -0.332 1.00 0.15 H new ATOM 0 HD11 ILE A 71 7.298 2.622 -0.879 1.00 41.20 H new ATOM 0 HD12 ILE A 71 8.925 3.136 -0.374 1.00 41.20 H new ATOM 0 HD13 ILE A 71 7.489 3.969 0.268 1.00 41.20 H new ATOM 1133 N THR A 72 9.022 9.101 -2.533 1.00 33.13 N ATOM 1134 CA THR A 72 9.718 10.373 -2.269 1.00 22.44 C ATOM 1135 C THR A 72 8.861 11.336 -1.435 1.00 42.22 C ATOM 1136 O THR A 72 7.631 11.288 -1.476 1.00 52.52 O ATOM 1137 CB THR A 72 10.139 11.095 -3.578 1.00 10.10 C ATOM 1138 OG1 THR A 72 9.056 11.121 -4.529 1.00 31.33 O ATOM 1139 CG2 THR A 72 11.367 10.439 -4.194 1.00 60.12 C ATOM 0 H THR A 72 8.051 9.212 -2.825 1.00 33.13 H new ATOM 0 HA THR A 72 10.611 10.104 -1.706 1.00 22.44 H new ATOM 0 HB THR A 72 10.392 12.123 -3.319 1.00 10.10 H new ATOM 0 HG1 THR A 72 9.347 11.582 -5.343 1.00 31.33 H new ATOM 0 HG21 THR A 72 11.640 10.965 -5.109 1.00 60.12 H new ATOM 0 HG22 THR A 72 12.196 10.485 -3.488 1.00 60.12 H new ATOM 0 HG23 THR A 72 11.145 9.397 -4.426 1.00 60.12 H new ATOM 1147 N PRO A 73 9.508 12.235 -0.665 1.00 30.31 N ATOM 1148 CA PRO A 73 8.801 13.236 0.153 1.00 11.43 C ATOM 1149 C PRO A 73 8.117 14.318 -0.706 1.00 10.22 C ATOM 1150 O PRO A 73 8.701 14.825 -1.663 1.00 41.22 O ATOM 1151 CB PRO A 73 9.922 13.844 1.011 1.00 12.03 C ATOM 1152 CG PRO A 73 11.165 13.642 0.211 1.00 5.14 C ATOM 1153 CD PRO A 73 10.977 12.349 -0.536 1.00 40.23 C ATOM 0 HA PRO A 73 7.994 12.795 0.738 1.00 11.43 H new ATOM 0 HB2 PRO A 73 9.743 14.902 1.204 1.00 12.03 H new ATOM 0 HB3 PRO A 73 9.991 13.350 1.980 1.00 12.03 H new ATOM 0 HG2 PRO A 73 11.323 14.471 -0.479 1.00 5.14 H new ATOM 0 HG3 PRO A 73 12.041 13.594 0.858 1.00 5.14 H new ATOM 0 HD2 PRO A 73 11.465 12.374 -1.510 1.00 40.23 H new ATOM 0 HD3 PRO A 73 11.399 11.505 0.010 1.00 40.23 H new ATOM 1161 N ASP A 74 6.886 14.677 -0.352 1.00 65.33 N ATOM 1162 CA ASP A 74 6.098 15.630 -1.142 1.00 23.32 C ATOM 1163 C ASP A 74 5.852 16.936 -0.366 1.00 41.25 C ATOM 1164 O ASP A 74 5.897 16.955 0.865 1.00 2.43 O ATOM 1165 CB ASP A 74 4.767 14.982 -1.545 1.00 75.11 C ATOM 1166 CG ASP A 74 3.882 15.908 -2.360 1.00 4.41 C ATOM 1167 OD1 ASP A 74 4.229 16.194 -3.524 1.00 73.45 O ATOM 1168 OD2 ASP A 74 2.846 16.358 -1.837 1.00 5.45 O ATOM 0 H ASP A 74 6.408 14.324 0.477 1.00 65.33 H new ATOM 0 HA ASP A 74 6.662 15.887 -2.039 1.00 23.32 H new ATOM 0 HB2 ASP A 74 4.968 14.079 -2.122 1.00 75.11 H new ATOM 0 HB3 ASP A 74 4.232 14.674 -0.647 1.00 75.11 H new ATOM 1173 N ALA A 75 5.594 18.020 -1.095 1.00 12.13 N ATOM 1174 CA ALA A 75 5.352 19.336 -0.487 1.00 45.40 C ATOM 1175 C ALA A 75 4.080 19.356 0.378 1.00 54.12 C ATOM 1176 O ALA A 75 3.970 20.147 1.316 1.00 55.24 O ATOM 1177 CB ALA A 75 5.275 20.401 -1.573 1.00 32.45 C ATOM 0 H ALA A 75 5.546 18.017 -2.114 1.00 12.13 H new ATOM 0 HA ALA A 75 6.190 19.551 0.176 1.00 45.40 H new ATOM 0 HB1 ALA A 75 5.095 21.374 -1.116 1.00 32.45 H new ATOM 0 HB2 ALA A 75 6.215 20.427 -2.125 1.00 32.45 H new ATOM 0 HB3 ALA A 75 4.459 20.165 -2.257 1.00 32.45 H new ATOM 1183 N ASP A 76 3.122 18.496 0.050 1.00 12.21 N ATOM 1184 CA ASP A 76 1.890 18.363 0.838 1.00 4.34 C ATOM 1185 C ASP A 76 1.942 17.128 1.760 1.00 34.23 C ATOM 1186 O ASP A 76 1.319 17.104 2.826 1.00 25.13 O ATOM 1187 CB ASP A 76 0.681 18.267 -0.096 1.00 74.35 C ATOM 1188 CG ASP A 76 0.543 19.483 -0.997 1.00 22.15 C ATOM 1189 OD1 ASP A 76 0.008 20.514 -0.534 1.00 41.54 O ATOM 1190 OD2 ASP A 76 0.958 19.418 -2.173 1.00 2.13 O ATOM 0 H ASP A 76 3.170 17.876 -0.758 1.00 12.21 H new ATOM 0 HA ASP A 76 1.795 19.248 1.467 1.00 4.34 H new ATOM 0 HB2 ASP A 76 0.771 17.372 -0.711 1.00 74.35 H new ATOM 0 HB3 ASP A 76 -0.225 18.155 0.499 1.00 74.35 H new ATOM 1195 N GLY A 77 2.674 16.097 1.334 1.00 24.13 N ATOM 1196 CA GLY A 77 2.834 14.896 2.153 1.00 35.44 C ATOM 1197 C GLY A 77 3.951 13.979 1.660 1.00 11.54 C ATOM 1198 O GLY A 77 5.131 14.247 1.890 1.00 50.55 O ATOM 0 H GLY A 77 3.160 16.069 0.438 1.00 24.13 H new ATOM 0 HA2 GLY A 77 3.041 15.190 3.182 1.00 35.44 H new ATOM 0 HA3 GLY A 77 1.895 14.342 2.163 1.00 35.44 H new ATOM 1202 N THR A 78 3.582 12.899 0.976 1.00 15.42 N ATOM 1203 CA THR A 78 4.558 11.945 0.422 1.00 44.15 C ATOM 1204 C THR A 78 3.998 11.257 -0.828 1.00 0.32 C ATOM 1205 O THR A 78 2.892 10.720 -0.807 1.00 34.10 O ATOM 1206 CB THR A 78 4.968 10.861 1.461 1.00 12.01 C ATOM 1207 OG1 THR A 78 5.672 11.463 2.560 1.00 63.43 O ATOM 1208 CG2 THR A 78 5.851 9.785 0.829 1.00 34.32 C ATOM 0 H THR A 78 2.610 12.656 0.788 1.00 15.42 H new ATOM 0 HA THR A 78 5.444 12.522 0.158 1.00 44.15 H new ATOM 0 HB THR A 78 4.052 10.392 1.821 1.00 12.01 H new ATOM 0 HG1 THR A 78 5.027 11.821 3.205 1.00 63.43 H new ATOM 0 HG21 THR A 78 6.118 9.045 1.583 1.00 34.32 H new ATOM 0 HG22 THR A 78 5.308 9.298 0.019 1.00 34.32 H new ATOM 0 HG23 THR A 78 6.757 10.244 0.434 1.00 34.32 H new ATOM 1216 N THR A 79 4.757 11.279 -1.920 1.00 53.00 N ATOM 1217 CA THR A 79 4.314 10.677 -3.185 1.00 70.13 C ATOM 1218 C THR A 79 5.069 9.382 -3.494 1.00 71.05 C ATOM 1219 O THR A 79 6.296 9.321 -3.398 1.00 32.30 O ATOM 1220 CB THR A 79 4.485 11.648 -4.377 1.00 43.12 C ATOM 1221 OG1 THR A 79 5.830 12.156 -4.420 1.00 54.23 O ATOM 1222 CG2 THR A 79 3.498 12.807 -4.289 1.00 22.33 C ATOM 0 H THR A 79 5.683 11.706 -1.960 1.00 53.00 H new ATOM 0 HA THR A 79 3.255 10.453 -3.055 1.00 70.13 H new ATOM 0 HB THR A 79 4.282 11.092 -5.292 1.00 43.12 H new ATOM 0 HG1 THR A 79 5.925 12.768 -5.180 1.00 54.23 H new ATOM 0 HG21 THR A 79 3.642 13.473 -5.140 1.00 22.33 H new ATOM 0 HG22 THR A 79 2.479 12.419 -4.300 1.00 22.33 H new ATOM 0 HG23 THR A 79 3.666 13.359 -3.364 1.00 22.33 H new ATOM 1230 N LEU A 80 4.326 8.346 -3.864 1.00 24.44 N ATOM 1231 CA LEU A 80 4.917 7.054 -4.217 1.00 52.24 C ATOM 1232 C LEU A 80 4.077 6.338 -5.286 1.00 52.41 C ATOM 1233 O LEU A 80 2.853 6.433 -5.288 1.00 5.22 O ATOM 1234 CB LEU A 80 5.077 6.187 -2.950 1.00 64.34 C ATOM 1235 CG LEU A 80 3.831 6.050 -2.047 1.00 71.14 C ATOM 1236 CD1 LEU A 80 2.864 4.997 -2.582 1.00 5.33 C ATOM 1237 CD2 LEU A 80 4.239 5.723 -0.611 1.00 13.11 C ATOM 0 H LEU A 80 3.308 8.373 -3.929 1.00 24.44 H new ATOM 0 HA LEU A 80 5.905 7.223 -4.644 1.00 52.24 H new ATOM 0 HB2 LEU A 80 5.387 5.188 -3.257 1.00 64.34 H new ATOM 0 HB3 LEU A 80 5.888 6.603 -2.352 1.00 64.34 H new ATOM 0 HG LEU A 80 3.313 7.009 -2.052 1.00 71.14 H new ATOM 0 HD11 LEU A 80 2.000 4.928 -1.922 1.00 5.33 H new ATOM 0 HD12 LEU A 80 2.535 5.280 -3.582 1.00 5.33 H new ATOM 0 HD13 LEU A 80 3.366 4.030 -2.625 1.00 5.33 H new ATOM 0 HD21 LEU A 80 3.347 5.631 0.009 1.00 13.11 H new ATOM 0 HD22 LEU A 80 4.791 4.783 -0.595 1.00 13.11 H new ATOM 0 HD23 LEU A 80 4.870 6.522 -0.221 1.00 13.11 H new ATOM 1249 N THR A 81 4.732 5.642 -6.209 1.00 41.14 N ATOM 1250 CA THR A 81 4.023 4.927 -7.276 1.00 4.20 C ATOM 1251 C THR A 81 3.500 3.573 -6.788 1.00 22.55 C ATOM 1252 O THR A 81 4.277 2.686 -6.422 1.00 12.12 O ATOM 1253 CB THR A 81 4.918 4.697 -8.517 1.00 34.31 C ATOM 1254 OG1 THR A 81 5.440 5.949 -8.985 1.00 0.20 O ATOM 1255 CG2 THR A 81 4.132 4.019 -9.639 1.00 14.45 C ATOM 0 H THR A 81 5.748 5.555 -6.244 1.00 41.14 H new ATOM 0 HA THR A 81 3.184 5.562 -7.560 1.00 4.20 H new ATOM 0 HB THR A 81 5.741 4.045 -8.225 1.00 34.31 H new ATOM 0 HG1 THR A 81 6.007 5.794 -9.769 1.00 0.20 H new ATOM 0 HG21 THR A 81 4.783 3.868 -10.500 1.00 14.45 H new ATOM 0 HG22 THR A 81 3.761 3.055 -9.292 1.00 14.45 H new ATOM 0 HG23 THR A 81 3.291 4.650 -9.926 1.00 14.45 H new ATOM 1263 N LEU A 82 2.182 3.427 -6.786 1.00 34.14 N ATOM 1264 CA LEU A 82 1.532 2.178 -6.393 1.00 4.24 C ATOM 1265 C LEU A 82 1.386 1.258 -7.618 1.00 41.31 C ATOM 1266 O LEU A 82 0.700 1.601 -8.586 1.00 4.43 O ATOM 1267 CB LEU A 82 0.162 2.503 -5.755 1.00 35.22 C ATOM 1268 CG LEU A 82 -0.622 1.330 -5.131 1.00 15.34 C ATOM 1269 CD1 LEU A 82 -1.271 0.463 -6.202 1.00 13.41 C ATOM 1270 CD2 LEU A 82 0.278 0.491 -4.227 1.00 23.31 C ATOM 0 H LEU A 82 1.533 4.166 -7.055 1.00 34.14 H new ATOM 0 HA LEU A 82 2.138 1.651 -5.656 1.00 4.24 H new ATOM 0 HB2 LEU A 82 0.320 3.254 -4.981 1.00 35.22 H new ATOM 0 HB3 LEU A 82 -0.466 2.961 -6.519 1.00 35.22 H new ATOM 0 HG LEU A 82 -1.418 1.755 -4.520 1.00 15.34 H new ATOM 0 HD11 LEU A 82 -1.815 -0.354 -5.728 1.00 13.41 H new ATOM 0 HD12 LEU A 82 -1.962 1.067 -6.789 1.00 13.41 H new ATOM 0 HD13 LEU A 82 -0.500 0.055 -6.856 1.00 13.41 H new ATOM 0 HD21 LEU A 82 -0.299 -0.329 -3.800 1.00 23.31 H new ATOM 0 HD22 LEU A 82 1.105 0.087 -4.811 1.00 23.31 H new ATOM 0 HD23 LEU A 82 0.671 1.115 -3.424 1.00 23.31 H new ATOM 1282 N ARG A 83 2.042 0.096 -7.580 1.00 73.12 N ATOM 1283 CA ARG A 83 1.997 -0.852 -8.703 1.00 55.45 C ATOM 1284 C ARG A 83 0.972 -1.967 -8.452 1.00 41.54 C ATOM 1285 O ARG A 83 0.885 -2.506 -7.348 1.00 3.34 O ATOM 1286 CB ARG A 83 3.378 -1.484 -8.946 1.00 23.45 C ATOM 1287 CG ARG A 83 4.545 -0.503 -8.849 1.00 25.10 C ATOM 1288 CD ARG A 83 5.759 -0.972 -9.648 1.00 40.14 C ATOM 1289 NE ARG A 83 5.567 -0.757 -11.077 1.00 21.34 N ATOM 1290 CZ ARG A 83 6.509 -0.827 -11.974 1.00 45.13 C ATOM 1291 NH1 ARG A 83 7.714 -1.182 -11.653 1.00 42.35 N ATOM 1292 NH2 ARG A 83 6.223 -0.540 -13.203 1.00 24.25 N ATOM 0 H ARG A 83 2.608 -0.213 -6.790 1.00 73.12 H new ATOM 0 HA ARG A 83 1.698 -0.287 -9.586 1.00 55.45 H new ATOM 0 HB2 ARG A 83 3.531 -2.284 -8.222 1.00 23.45 H new ATOM 0 HB3 ARG A 83 3.386 -1.943 -9.935 1.00 23.45 H new ATOM 0 HG2 ARG A 83 4.228 0.474 -9.213 1.00 25.10 H new ATOM 0 HG3 ARG A 83 4.826 -0.378 -7.803 1.00 25.10 H new ATOM 0 HD2 ARG A 83 6.647 -0.436 -9.313 1.00 40.14 H new ATOM 0 HD3 ARG A 83 5.936 -2.031 -9.458 1.00 40.14 H new ATOM 0 HE ARG A 83 4.625 -0.535 -11.398 1.00 21.34 H new ATOM 0 HH11 ARG A 83 7.937 -1.412 -10.685 1.00 42.35 H new ATOM 0 HH12 ARG A 83 8.439 -1.231 -12.369 1.00 42.35 H new ATOM 0 HH21 ARG A 83 5.274 -0.265 -13.455 1.00 24.25 H new ATOM 0 HH22 ARG A 83 6.947 -0.589 -13.920 1.00 24.25 H new ATOM 1306 N ILE A 84 0.201 -2.313 -9.482 1.00 53.14 N ATOM 1307 CA ILE A 84 -0.776 -3.404 -9.395 1.00 31.35 C ATOM 1308 C ILE A 84 -0.435 -4.526 -10.387 1.00 15.31 C ATOM 1309 O ILE A 84 -0.858 -4.498 -11.542 1.00 31.31 O ATOM 1310 CB ILE A 84 -2.238 -2.938 -9.671 1.00 21.42 C ATOM 1311 CG1 ILE A 84 -2.601 -1.691 -8.844 1.00 3.30 C ATOM 1312 CG2 ILE A 84 -3.222 -4.076 -9.384 1.00 43.11 C ATOM 1313 CD1 ILE A 84 -2.103 -0.388 -9.440 1.00 24.53 C ATOM 0 H ILE A 84 0.233 -1.853 -10.392 1.00 53.14 H new ATOM 0 HA ILE A 84 -0.718 -3.767 -8.369 1.00 31.35 H new ATOM 0 HB ILE A 84 -2.308 -2.667 -10.724 1.00 21.42 H new ATOM 0 HG12 ILE A 84 -3.685 -1.640 -8.740 1.00 3.30 H new ATOM 0 HG13 ILE A 84 -2.189 -1.801 -7.841 1.00 3.30 H new ATOM 0 HG21 ILE A 84 -4.239 -3.736 -9.581 1.00 43.11 H new ATOM 0 HG22 ILE A 84 -2.993 -4.926 -10.027 1.00 43.11 H new ATOM 0 HG23 ILE A 84 -3.136 -4.377 -8.340 1.00 43.11 H new ATOM 0 HD11 ILE A 84 -2.399 0.442 -8.799 1.00 24.53 H new ATOM 0 HD12 ILE A 84 -1.016 -0.416 -9.519 1.00 24.53 H new ATOM 0 HD13 ILE A 84 -2.535 -0.253 -10.431 1.00 24.53 H new ATOM 1325 N GLN A 85 0.354 -5.496 -9.939 1.00 34.35 N ATOM 1326 CA GLN A 85 0.667 -6.676 -10.748 1.00 42.14 C ATOM 1327 C GLN A 85 -0.489 -7.682 -10.685 1.00 51.32 C ATOM 1328 O GLN A 85 -0.872 -8.135 -9.610 1.00 34.32 O ATOM 1329 CB GLN A 85 1.958 -7.338 -10.244 1.00 52.45 C ATOM 1330 CG GLN A 85 3.189 -6.444 -10.339 1.00 73.30 C ATOM 1331 CD GLN A 85 4.427 -7.062 -9.704 1.00 11.22 C ATOM 1332 OE1 GLN A 85 4.345 -7.806 -8.728 1.00 63.31 O ATOM 1333 NE2 GLN A 85 5.586 -6.770 -10.257 1.00 41.25 N ATOM 0 H GLN A 85 0.791 -5.491 -9.018 1.00 34.35 H new ATOM 0 HA GLN A 85 0.809 -6.361 -11.782 1.00 42.14 H new ATOM 0 HB2 GLN A 85 1.819 -7.639 -9.206 1.00 52.45 H new ATOM 0 HB3 GLN A 85 2.136 -8.247 -10.818 1.00 52.45 H new ATOM 0 HG2 GLN A 85 3.395 -6.229 -11.388 1.00 73.30 H new ATOM 0 HG3 GLN A 85 2.977 -5.491 -9.854 1.00 73.30 H new ATOM 0 HE21 GLN A 85 5.623 -6.150 -11.066 1.00 41.25 H new ATOM 0 HE22 GLN A 85 6.446 -7.164 -9.876 1.00 41.25 H new ATOM 1342 N GLY A 86 -1.065 -8.012 -11.830 1.00 5.23 N ATOM 1343 CA GLY A 86 -2.139 -8.992 -11.856 1.00 4.34 C ATOM 1344 C GLY A 86 -1.629 -10.424 -11.975 1.00 61.13 C ATOM 1345 O GLY A 86 -0.896 -10.743 -12.913 1.00 32.30 O ATOM 0 H GLY A 86 -0.813 -7.624 -12.739 1.00 5.23 H new ATOM 0 HA2 GLY A 86 -2.733 -8.897 -10.947 1.00 4.34 H new ATOM 0 HA3 GLY A 86 -2.802 -8.776 -12.694 1.00 4.34 H new ATOM 1349 N GLU A 87 -1.991 -11.285 -11.014 1.00 33.12 N ATOM 1350 CA GLU A 87 -1.690 -12.724 -11.115 1.00 44.05 C ATOM 1351 C GLU A 87 -2.161 -13.261 -12.472 1.00 74.35 C ATOM 1352 O GLU A 87 -1.487 -14.069 -13.113 1.00 74.23 O ATOM 1353 CB GLU A 87 -2.368 -13.506 -9.975 1.00 4.01 C ATOM 1354 CG GLU A 87 -1.796 -13.221 -8.584 1.00 62.11 C ATOM 1355 CD GLU A 87 -0.382 -13.762 -8.388 1.00 41.23 C ATOM 1356 OE1 GLU A 87 -0.096 -14.890 -8.847 1.00 74.12 O ATOM 1357 OE2 GLU A 87 0.444 -13.075 -7.751 1.00 1.24 O ATOM 0 H GLU A 87 -2.488 -11.016 -10.165 1.00 33.12 H new ATOM 0 HA GLU A 87 -0.612 -12.858 -11.029 1.00 44.05 H new ATOM 0 HB2 GLU A 87 -3.432 -13.270 -9.972 1.00 4.01 H new ATOM 0 HB3 GLU A 87 -2.279 -14.573 -10.180 1.00 4.01 H new ATOM 0 HG2 GLU A 87 -1.792 -12.144 -8.414 1.00 62.11 H new ATOM 0 HG3 GLU A 87 -2.452 -13.660 -7.832 1.00 62.11 H new ATOM 1364 N SER A 88 -3.326 -12.782 -12.896 1.00 32.32 N ATOM 1365 CA SER A 88 -3.841 -13.049 -14.239 1.00 42.03 C ATOM 1366 C SER A 88 -3.077 -12.217 -15.279 1.00 14.35 C ATOM 1367 O SER A 88 -3.114 -10.989 -15.243 1.00 54.01 O ATOM 1368 CB SER A 88 -5.337 -12.702 -14.307 1.00 72.12 C ATOM 1369 OG SER A 88 -6.089 -13.417 -13.332 1.00 42.12 O ATOM 0 H SER A 88 -3.939 -12.201 -12.324 1.00 32.32 H new ATOM 0 HA SER A 88 -3.703 -14.108 -14.458 1.00 42.03 H new ATOM 0 HB2 SER A 88 -5.469 -11.631 -14.155 1.00 72.12 H new ATOM 0 HB3 SER A 88 -5.719 -12.932 -15.302 1.00 72.12 H new ATOM 0 HG SER A 88 -7.035 -13.171 -13.403 1.00 42.12 H new ATOM 1375 N ASN A 89 -2.377 -12.886 -16.195 1.00 53.40 N ATOM 1376 CA ASN A 89 -1.617 -12.188 -17.244 1.00 63.54 C ATOM 1377 C ASN A 89 -2.537 -11.330 -18.125 1.00 24.31 C ATOM 1378 O ASN A 89 -2.132 -10.285 -18.637 1.00 4.01 O ATOM 1379 CB ASN A 89 -0.868 -13.196 -18.118 1.00 65.32 C ATOM 1380 CG ASN A 89 0.113 -14.041 -17.327 1.00 42.11 C ATOM 1381 OD1 ASN A 89 1.262 -13.663 -17.134 1.00 30.12 O ATOM 1382 ND2 ASN A 89 -0.330 -15.199 -16.877 1.00 20.54 N ATOM 0 H ASN A 89 -2.317 -13.903 -16.236 1.00 53.40 H new ATOM 0 HA ASN A 89 -0.901 -11.531 -16.750 1.00 63.54 H new ATOM 0 HB2 ASN A 89 -1.588 -13.849 -18.611 1.00 65.32 H new ATOM 0 HB3 ASN A 89 -0.332 -12.662 -18.903 1.00 65.32 H new ATOM 0 HD21 ASN A 89 0.291 -15.812 -16.349 1.00 20.54 H new ATOM 0 HD22 ASN A 89 -1.294 -15.481 -17.057 1.00 20.54 H new ATOM 1389 N ASP A 90 -3.773 -11.792 -18.292 1.00 61.03 N ATOM 1390 CA ASP A 90 -4.771 -11.103 -19.107 1.00 44.02 C ATOM 1391 C ASP A 90 -5.173 -9.742 -18.497 1.00 34.53 C ATOM 1392 O ASP A 90 -5.174 -9.571 -17.278 1.00 12.34 O ATOM 1393 CB ASP A 90 -5.995 -12.011 -19.295 1.00 11.43 C ATOM 1394 CG ASP A 90 -6.496 -12.608 -17.988 1.00 1.22 C ATOM 1395 OD1 ASP A 90 -5.843 -13.539 -17.464 1.00 33.41 O ATOM 1396 OD2 ASP A 90 -7.550 -12.160 -17.489 1.00 61.44 O ATOM 0 H ASP A 90 -4.112 -12.655 -17.866 1.00 61.03 H new ATOM 0 HA ASP A 90 -4.332 -10.890 -20.081 1.00 44.02 H new ATOM 0 HB2 ASP A 90 -6.798 -11.438 -19.758 1.00 11.43 H new ATOM 0 HB3 ASP A 90 -5.741 -12.817 -19.983 1.00 11.43 H new ATOM 1401 N PRO A 91 -5.533 -8.761 -19.353 1.00 4.32 N ATOM 1402 CA PRO A 91 -5.813 -7.374 -18.922 1.00 52.03 C ATOM 1403 C PRO A 91 -6.940 -7.253 -17.878 1.00 62.53 C ATOM 1404 O PRO A 91 -8.064 -7.705 -18.106 1.00 64.13 O ATOM 1405 CB PRO A 91 -6.220 -6.669 -20.230 1.00 71.41 C ATOM 1406 CG PRO A 91 -6.591 -7.766 -21.170 1.00 43.45 C ATOM 1407 CD PRO A 91 -5.699 -8.919 -20.811 1.00 72.03 C ATOM 0 HA PRO A 91 -4.945 -6.942 -18.424 1.00 52.03 H new ATOM 0 HB2 PRO A 91 -7.058 -5.991 -20.067 1.00 71.41 H new ATOM 0 HB3 PRO A 91 -5.399 -6.072 -20.627 1.00 71.41 H new ATOM 0 HG2 PRO A 91 -7.642 -8.035 -21.064 1.00 43.45 H new ATOM 0 HG3 PRO A 91 -6.442 -7.462 -22.206 1.00 43.45 H new ATOM 0 HD2 PRO A 91 -6.153 -9.877 -21.065 1.00 72.03 H new ATOM 0 HD3 PRO A 91 -4.744 -8.870 -21.335 1.00 72.03 H new ATOM 1415 N LEU A 92 -6.633 -6.629 -16.740 1.00 32.24 N ATOM 1416 CA LEU A 92 -7.631 -6.376 -15.689 1.00 31.12 C ATOM 1417 C LEU A 92 -8.432 -5.089 -15.974 1.00 55.35 C ATOM 1418 O LEU A 92 -7.913 -4.149 -16.579 1.00 44.42 O ATOM 1419 CB LEU A 92 -6.941 -6.267 -14.319 1.00 72.44 C ATOM 1420 CG LEU A 92 -6.193 -7.527 -13.854 1.00 34.21 C ATOM 1421 CD1 LEU A 92 -5.480 -7.274 -12.528 1.00 34.04 C ATOM 1422 CD2 LEU A 92 -7.148 -8.714 -13.731 1.00 62.21 C ATOM 0 H LEU A 92 -5.698 -6.287 -16.518 1.00 32.24 H new ATOM 0 HA LEU A 92 -8.327 -7.215 -15.680 1.00 31.12 H new ATOM 0 HB2 LEU A 92 -6.235 -5.438 -14.352 1.00 72.44 H new ATOM 0 HB3 LEU A 92 -7.693 -6.015 -13.571 1.00 72.44 H new ATOM 0 HG LEU A 92 -5.443 -7.770 -14.607 1.00 34.21 H new ATOM 0 HD11 LEU A 92 -4.957 -8.179 -12.218 1.00 34.04 H new ATOM 0 HD12 LEU A 92 -4.761 -6.463 -12.650 1.00 34.04 H new ATOM 0 HD13 LEU A 92 -6.212 -6.999 -11.768 1.00 34.04 H new ATOM 0 HD21 LEU A 92 -6.595 -9.593 -13.401 1.00 62.21 H new ATOM 0 HD22 LEU A 92 -7.926 -8.481 -13.005 1.00 62.21 H new ATOM 0 HD23 LEU A 92 -7.605 -8.916 -14.700 1.00 62.21 H new ATOM 1434 N PRO A 93 -9.711 -5.029 -15.549 1.00 25.13 N ATOM 1435 CA PRO A 93 -10.553 -3.831 -15.739 1.00 43.34 C ATOM 1436 C PRO A 93 -10.212 -2.691 -14.760 1.00 62.40 C ATOM 1437 O PRO A 93 -9.404 -2.860 -13.848 1.00 53.24 O ATOM 1438 CB PRO A 93 -11.966 -4.363 -15.479 1.00 2.14 C ATOM 1439 CG PRO A 93 -11.770 -5.482 -14.509 1.00 55.12 C ATOM 1440 CD PRO A 93 -10.445 -6.116 -14.861 1.00 41.34 C ATOM 0 HA PRO A 93 -10.415 -3.389 -16.726 1.00 43.34 H new ATOM 0 HB2 PRO A 93 -12.612 -3.588 -15.066 1.00 2.14 H new ATOM 0 HB3 PRO A 93 -12.434 -4.712 -16.399 1.00 2.14 H new ATOM 0 HG2 PRO A 93 -11.765 -5.112 -13.484 1.00 55.12 H new ATOM 0 HG3 PRO A 93 -12.580 -6.207 -14.582 1.00 55.12 H new ATOM 0 HD2 PRO A 93 -9.915 -6.457 -13.972 1.00 41.34 H new ATOM 0 HD3 PRO A 93 -10.575 -6.984 -15.508 1.00 41.34 H new ATOM 1448 N ALA A 94 -10.846 -1.530 -14.952 1.00 52.11 N ATOM 1449 CA ALA A 94 -10.609 -0.363 -14.090 1.00 12.42 C ATOM 1450 C ALA A 94 -11.231 -0.549 -12.697 1.00 41.34 C ATOM 1451 O ALA A 94 -12.333 -1.088 -12.562 1.00 52.53 O ATOM 1452 CB ALA A 94 -11.159 0.896 -14.751 1.00 44.31 C ATOM 0 H ALA A 94 -11.527 -1.371 -15.695 1.00 52.11 H new ATOM 0 HA ALA A 94 -9.532 -0.259 -13.958 1.00 12.42 H new ATOM 0 HB1 ALA A 94 -10.979 1.755 -14.105 1.00 44.31 H new ATOM 0 HB2 ALA A 94 -10.661 1.051 -15.708 1.00 44.31 H new ATOM 0 HB3 ALA A 94 -12.231 0.783 -14.913 1.00 44.31 H new ATOM 1458 N PHE A 95 -10.536 -0.079 -11.665 1.00 13.34 N ATOM 1459 CA PHE A 95 -10.985 -0.278 -10.283 1.00 55.14 C ATOM 1460 C PHE A 95 -10.555 0.874 -9.358 1.00 62.13 C ATOM 1461 O PHE A 95 -9.654 1.648 -9.681 1.00 35.42 O ATOM 1462 CB PHE A 95 -10.440 -1.612 -9.746 1.00 60.21 C ATOM 1463 CG PHE A 95 -8.934 -1.720 -9.793 1.00 52.01 C ATOM 1464 CD1 PHE A 95 -8.295 -2.207 -10.924 1.00 43.22 C ATOM 1465 CD2 PHE A 95 -8.160 -1.338 -8.705 1.00 71.52 C ATOM 1466 CE1 PHE A 95 -6.920 -2.309 -10.972 1.00 55.23 C ATOM 1467 CE2 PHE A 95 -6.783 -1.437 -8.750 1.00 61.42 C ATOM 1468 CZ PHE A 95 -6.162 -1.925 -9.885 1.00 14.52 C ATOM 0 H PHE A 95 -9.663 0.441 -11.755 1.00 13.34 H new ATOM 0 HA PHE A 95 -12.075 -0.298 -10.292 1.00 55.14 H new ATOM 0 HB2 PHE A 95 -10.772 -1.741 -8.716 1.00 60.21 H new ATOM 0 HB3 PHE A 95 -10.872 -2.429 -10.324 1.00 60.21 H new ATOM 0 HD1 PHE A 95 -8.882 -2.510 -11.778 1.00 43.22 H new ATOM 0 HD2 PHE A 95 -8.640 -0.960 -7.814 1.00 71.52 H new ATOM 0 HE1 PHE A 95 -6.437 -2.689 -11.860 1.00 55.23 H new ATOM 0 HE2 PHE A 95 -6.192 -1.133 -7.899 1.00 61.42 H new ATOM 0 HZ PHE A 95 -5.086 -2.005 -9.921 1.00 14.52 H new ATOM 1478 N SER A 96 -11.221 0.977 -8.212 1.00 44.43 N ATOM 1479 CA SER A 96 -10.856 1.935 -7.161 1.00 53.34 C ATOM 1480 C SER A 96 -10.641 1.199 -5.832 1.00 40.54 C ATOM 1481 O SER A 96 -11.225 0.140 -5.600 1.00 71.14 O ATOM 1482 CB SER A 96 -11.943 3.008 -6.999 1.00 21.32 C ATOM 1483 OG SER A 96 -13.192 2.440 -6.636 1.00 51.22 O ATOM 0 H SER A 96 -12.030 0.401 -7.981 1.00 44.43 H new ATOM 0 HA SER A 96 -9.928 2.428 -7.452 1.00 53.34 H new ATOM 0 HB2 SER A 96 -11.635 3.726 -6.239 1.00 21.32 H new ATOM 0 HB3 SER A 96 -12.052 3.560 -7.933 1.00 21.32 H new ATOM 0 HG SER A 96 -13.859 3.151 -6.540 1.00 51.22 H new ATOM 1489 N GLY A 97 -9.792 1.743 -4.967 1.00 31.40 N ATOM 1490 CA GLY A 97 -9.504 1.081 -3.697 1.00 1.41 C ATOM 1491 C GLY A 97 -9.274 2.044 -2.536 1.00 14.01 C ATOM 1492 O GLY A 97 -8.867 3.193 -2.735 1.00 54.34 O ATOM 0 H GLY A 97 -9.299 2.623 -5.116 1.00 31.40 H new ATOM 0 HA2 GLY A 97 -10.333 0.418 -3.448 1.00 1.41 H new ATOM 0 HA3 GLY A 97 -8.620 0.455 -3.817 1.00 1.41 H new ATOM 1496 N THR A 98 -9.525 1.565 -1.316 1.00 5.11 N ATOM 1497 CA THR A 98 -9.335 2.368 -0.100 1.00 13.42 C ATOM 1498 C THR A 98 -7.986 2.054 0.560 1.00 55.03 C ATOM 1499 O THR A 98 -7.808 0.984 1.151 1.00 1.53 O ATOM 1500 CB THR A 98 -10.467 2.115 0.932 1.00 21.02 C ATOM 1501 OG1 THR A 98 -11.754 2.358 0.336 1.00 42.01 O ATOM 1502 CG2 THR A 98 -10.304 3.005 2.161 1.00 53.54 C ATOM 0 H THR A 98 -9.863 0.619 -1.140 1.00 5.11 H new ATOM 0 HA THR A 98 -9.359 3.414 -0.406 1.00 13.42 H new ATOM 0 HB THR A 98 -10.400 1.073 1.244 1.00 21.02 H new ATOM 0 HG1 THR A 98 -12.457 2.193 0.998 1.00 42.01 H new ATOM 0 HG21 THR A 98 -11.112 2.805 2.865 1.00 53.54 H new ATOM 0 HG22 THR A 98 -9.347 2.795 2.638 1.00 53.54 H new ATOM 0 HG23 THR A 98 -10.337 4.052 1.859 1.00 53.54 H new ATOM 1510 N VAL A 99 -7.036 2.977 0.442 1.00 54.14 N ATOM 1511 CA VAL A 99 -5.718 2.809 1.060 1.00 54.34 C ATOM 1512 C VAL A 99 -5.653 3.510 2.431 1.00 24.41 C ATOM 1513 O VAL A 99 -6.132 4.635 2.592 1.00 4.32 O ATOM 1514 CB VAL A 99 -4.583 3.339 0.140 1.00 13.30 C ATOM 1515 CG1 VAL A 99 -4.662 2.686 -1.240 1.00 22.23 C ATOM 1516 CG2 VAL A 99 -4.614 4.864 0.021 1.00 70.15 C ATOM 0 H VAL A 99 -7.151 3.849 -0.075 1.00 54.14 H new ATOM 0 HA VAL A 99 -5.569 1.739 1.206 1.00 54.34 H new ATOM 0 HB VAL A 99 -3.633 3.068 0.600 1.00 13.30 H new ATOM 0 HG11 VAL A 99 -3.860 3.069 -1.870 1.00 22.23 H new ATOM 0 HG12 VAL A 99 -4.559 1.606 -1.138 1.00 22.23 H new ATOM 0 HG13 VAL A 99 -5.624 2.917 -1.697 1.00 22.23 H new ATOM 0 HG21 VAL A 99 -3.805 5.195 -0.630 1.00 70.15 H new ATOM 0 HG22 VAL A 99 -5.570 5.177 -0.400 1.00 70.15 H new ATOM 0 HG23 VAL A 99 -4.490 5.309 1.008 1.00 70.15 H new ATOM 1526 N GLU A 100 -5.074 2.826 3.415 1.00 62.33 N ATOM 1527 CA GLU A 100 -4.942 3.357 4.779 1.00 31.10 C ATOM 1528 C GLU A 100 -3.468 3.563 5.151 1.00 24.14 C ATOM 1529 O GLU A 100 -2.708 2.603 5.267 1.00 73.21 O ATOM 1530 CB GLU A 100 -5.600 2.403 5.787 1.00 10.21 C ATOM 1531 CG GLU A 100 -7.102 2.231 5.589 1.00 3.43 C ATOM 1532 CD GLU A 100 -7.726 1.292 6.611 1.00 73.45 C ATOM 1533 OE1 GLU A 100 -7.575 0.062 6.463 1.00 61.30 O ATOM 1534 OE2 GLU A 100 -8.393 1.775 7.548 1.00 33.21 O ATOM 0 H GLU A 100 -4.683 1.892 3.295 1.00 62.33 H new ATOM 0 HA GLU A 100 -5.446 4.323 4.812 1.00 31.10 H new ATOM 0 HB2 GLU A 100 -5.120 1.427 5.714 1.00 10.21 H new ATOM 0 HB3 GLU A 100 -5.417 2.774 6.795 1.00 10.21 H new ATOM 0 HG2 GLU A 100 -7.587 3.205 5.654 1.00 3.43 H new ATOM 0 HG3 GLU A 100 -7.290 1.847 4.586 1.00 3.43 H new ATOM 1541 N TYR A 101 -3.071 4.816 5.349 1.00 13.43 N ATOM 1542 CA TYR A 101 -1.677 5.148 5.675 1.00 21.34 C ATOM 1543 C TYR A 101 -1.570 5.892 7.016 1.00 0.21 C ATOM 1544 O TYR A 101 -2.195 6.936 7.214 1.00 21.43 O ATOM 1545 CB TYR A 101 -1.042 5.976 4.543 1.00 44.53 C ATOM 1546 CG TYR A 101 -1.817 7.230 4.166 1.00 40.31 C ATOM 1547 CD1 TYR A 101 -3.011 7.146 3.452 1.00 51.22 C ATOM 1548 CD2 TYR A 101 -1.346 8.496 4.504 1.00 63.44 C ATOM 1549 CE1 TYR A 101 -3.714 8.282 3.098 1.00 23.41 C ATOM 1550 CE2 TYR A 101 -2.043 9.635 4.150 1.00 44.11 C ATOM 1551 CZ TYR A 101 -3.223 9.523 3.442 1.00 42.14 C ATOM 1552 OH TYR A 101 -3.914 10.657 3.084 1.00 42.30 O ATOM 0 H TYR A 101 -3.691 5.623 5.291 1.00 13.43 H new ATOM 0 HA TYR A 101 -1.128 4.212 5.775 1.00 21.34 H new ATOM 0 HB2 TYR A 101 -0.034 6.264 4.842 1.00 44.53 H new ATOM 0 HB3 TYR A 101 -0.945 5.345 3.659 1.00 44.53 H new ATOM 0 HD1 TYR A 101 -3.394 6.176 3.170 1.00 51.22 H new ATOM 0 HD2 TYR A 101 -0.420 8.589 5.052 1.00 63.44 H new ATOM 0 HE1 TYR A 101 -4.643 8.198 2.555 1.00 23.41 H new ATOM 0 HE2 TYR A 101 -1.666 10.609 4.426 1.00 44.11 H new ATOM 0 HH TYR A 101 -3.432 11.448 3.404 1.00 42.30 H new ATOM 1562 N GLY A 102 -0.776 5.341 7.932 1.00 4.54 N ATOM 1563 CA GLY A 102 -0.619 5.935 9.257 1.00 23.32 C ATOM 1564 C GLY A 102 0.577 5.383 10.026 1.00 1.23 C ATOM 1565 O GLY A 102 1.595 5.033 9.429 1.00 11.15 O ATOM 0 H GLY A 102 -0.235 4.490 7.782 1.00 4.54 H new ATOM 0 HA2 GLY A 102 -0.509 7.014 9.153 1.00 23.32 H new ATOM 0 HA3 GLY A 102 -1.526 5.761 9.836 1.00 23.32 H new ATOM 1569 N GLN A 103 0.456 5.295 11.353 1.00 15.44 N ATOM 1570 CA GLN A 103 1.567 4.847 12.208 1.00 52.11 C ATOM 1571 C GLN A 103 1.160 3.689 13.137 1.00 33.44 C ATOM 1572 O GLN A 103 -0.014 3.507 13.462 1.00 43.43 O ATOM 1573 CB GLN A 103 2.086 6.019 13.055 1.00 35.51 C ATOM 1574 CG GLN A 103 2.643 7.183 12.240 1.00 72.33 C ATOM 1575 CD GLN A 103 3.136 8.322 13.117 1.00 44.51 C ATOM 1576 OE1 GLN A 103 2.618 8.552 14.206 1.00 35.30 O ATOM 1577 NE2 GLN A 103 4.141 9.042 12.656 1.00 35.44 N ATOM 0 H GLN A 103 -0.397 5.527 11.862 1.00 15.44 H new ATOM 0 HA GLN A 103 2.353 4.484 11.546 1.00 52.11 H new ATOM 0 HB2 GLN A 103 1.274 6.386 13.683 1.00 35.51 H new ATOM 0 HB3 GLN A 103 2.865 5.652 13.723 1.00 35.51 H new ATOM 0 HG2 GLN A 103 3.463 6.827 11.617 1.00 72.33 H new ATOM 0 HG3 GLN A 103 1.870 7.555 11.567 1.00 72.33 H new ATOM 0 HE21 GLN A 103 4.549 8.825 11.747 1.00 35.44 H new ATOM 0 HE22 GLN A 103 4.510 9.816 13.209 1.00 35.44 H new ATOM 1586 N ILE A 104 2.154 2.908 13.562 1.00 14.43 N ATOM 1587 CA ILE A 104 1.950 1.810 14.518 1.00 61.41 C ATOM 1588 C ILE A 104 2.660 2.121 15.850 1.00 14.51 C ATOM 1589 O ILE A 104 3.828 2.505 15.860 1.00 34.23 O ATOM 1590 CB ILE A 104 2.489 0.470 13.951 1.00 53.24 C ATOM 1591 CG1 ILE A 104 1.781 0.127 12.628 1.00 13.02 C ATOM 1592 CG2 ILE A 104 2.319 -0.660 14.969 1.00 14.04 C ATOM 1593 CD1 ILE A 104 2.266 -1.157 11.983 1.00 1.15 C ATOM 0 H ILE A 104 3.121 3.015 13.257 1.00 14.43 H new ATOM 0 HA ILE A 104 0.878 1.714 14.689 1.00 61.41 H new ATOM 0 HB ILE A 104 3.555 0.583 13.752 1.00 53.24 H new ATOM 0 HG12 ILE A 104 0.710 0.047 12.811 1.00 13.02 H new ATOM 0 HG13 ILE A 104 1.924 0.950 11.928 1.00 13.02 H new ATOM 0 HG21 ILE A 104 2.704 -1.589 14.549 1.00 14.04 H new ATOM 0 HG22 ILE A 104 2.870 -0.417 15.878 1.00 14.04 H new ATOM 0 HG23 ILE A 104 1.262 -0.780 15.207 1.00 14.04 H new ATOM 0 HD11 ILE A 104 1.718 -1.328 11.056 1.00 1.15 H new ATOM 0 HD12 ILE A 104 3.331 -1.075 11.766 1.00 1.15 H new ATOM 0 HD13 ILE A 104 2.098 -1.992 12.663 1.00 1.15 H new ATOM 1605 N GLN A 105 1.951 1.956 16.971 1.00 71.53 N ATOM 1606 CA GLN A 105 2.500 2.312 18.295 1.00 11.32 C ATOM 1607 C GLN A 105 2.983 1.090 19.103 1.00 4.41 C ATOM 1608 O GLN A 105 3.515 1.247 20.203 1.00 0.13 O ATOM 1609 CB GLN A 105 1.441 3.057 19.120 1.00 31.40 C ATOM 1610 CG GLN A 105 0.215 2.208 19.443 1.00 33.42 C ATOM 1611 CD GLN A 105 -0.717 2.844 20.463 1.00 62.20 C ATOM 1612 OE1 GLN A 105 -0.796 4.160 20.479 1.00 13.43 O flip ATOM 1613 NE2 GLN A 105 -1.374 2.150 21.230 1.00 23.01 N flip ATOM 0 H GLN A 105 1.002 1.582 16.995 1.00 71.53 H new ATOM 0 HA GLN A 105 3.366 2.946 18.104 1.00 11.32 H new ATOM 0 HB2 GLN A 105 1.892 3.400 20.051 1.00 31.40 H new ATOM 0 HB3 GLN A 105 1.125 3.945 18.573 1.00 31.40 H new ATOM 0 HG2 GLN A 105 -0.340 2.022 18.523 1.00 33.42 H new ATOM 0 HG3 GLN A 105 0.544 1.239 19.819 1.00 33.42 H new ATOM 0 HE21 GLN A 105 -1.293 1.134 21.195 1.00 23.01 H new ATOM 0 HE22 GLN A 105 -2.002 2.588 21.903 1.00 23.01 H new ATOM 1622 N GLY A 106 2.806 -0.118 18.570 1.00 64.12 N ATOM 1623 CA GLY A 106 3.093 -1.322 19.356 1.00 33.35 C ATOM 1624 C GLY A 106 4.033 -2.316 18.677 1.00 12.51 C ATOM 1625 O GLY A 106 4.793 -1.960 17.774 1.00 43.24 O ATOM 0 H GLY A 106 2.474 -0.290 17.621 1.00 64.12 H new ATOM 0 HA2 GLY A 106 3.529 -1.022 20.309 1.00 33.35 H new ATOM 0 HA3 GLY A 106 2.153 -1.826 19.580 1.00 33.35 H new ATOM 1629 N THR A 107 3.978 -3.571 19.129 1.00 62.24 N ATOM 1630 CA THR A 107 4.846 -4.641 18.611 1.00 0.50 C ATOM 1631 C THR A 107 4.122 -5.513 17.580 1.00 10.45 C ATOM 1632 O THR A 107 2.972 -5.261 17.233 1.00 11.33 O ATOM 1633 CB THR A 107 5.337 -5.570 19.748 1.00 53.33 C ATOM 1634 OG1 THR A 107 4.229 -6.303 20.305 1.00 45.24 O ATOM 1635 CG2 THR A 107 6.029 -4.772 20.846 1.00 61.11 C ATOM 0 H THR A 107 3.336 -3.877 19.860 1.00 62.24 H new ATOM 0 HA THR A 107 5.692 -4.139 18.142 1.00 0.50 H new ATOM 0 HB THR A 107 6.057 -6.270 19.323 1.00 53.33 H new ATOM 0 HG1 THR A 107 3.800 -5.766 21.004 1.00 45.24 H new ATOM 0 HG21 THR A 107 6.364 -5.449 21.632 1.00 61.11 H new ATOM 0 HG22 THR A 107 6.888 -4.248 20.428 1.00 61.11 H new ATOM 0 HG23 THR A 107 5.330 -4.048 21.265 1.00 61.11 H new ATOM 1643 N ILE A 108 4.805 -6.551 17.102 1.00 71.43 N ATOM 1644 CA ILE A 108 4.205 -7.515 16.174 1.00 11.31 C ATOM 1645 C ILE A 108 3.152 -8.388 16.883 1.00 50.55 C ATOM 1646 O ILE A 108 2.235 -8.921 16.253 1.00 33.32 O ATOM 1647 CB ILE A 108 5.293 -8.426 15.543 1.00 41.53 C ATOM 1648 CG1 ILE A 108 6.409 -7.573 14.914 1.00 5.22 C ATOM 1649 CG2 ILE A 108 4.684 -9.365 14.500 1.00 73.22 C ATOM 1650 CD1 ILE A 108 5.921 -6.602 13.859 1.00 70.11 C ATOM 0 H ILE A 108 5.777 -6.749 17.341 1.00 71.43 H new ATOM 0 HA ILE A 108 3.715 -6.945 15.385 1.00 11.31 H new ATOM 0 HB ILE A 108 5.726 -9.037 16.336 1.00 41.53 H new ATOM 0 HG12 ILE A 108 6.913 -7.014 15.702 1.00 5.22 H new ATOM 0 HG13 ILE A 108 7.151 -8.235 14.468 1.00 5.22 H new ATOM 0 HG21 ILE A 108 5.467 -9.992 14.074 1.00 73.22 H new ATOM 0 HG22 ILE A 108 3.932 -9.996 14.974 1.00 73.22 H new ATOM 0 HG23 ILE A 108 4.219 -8.777 13.709 1.00 73.22 H new ATOM 0 HD11 ILE A 108 6.766 -6.038 13.464 1.00 70.11 H new ATOM 0 HD12 ILE A 108 5.443 -7.154 13.050 1.00 70.11 H new ATOM 0 HD13 ILE A 108 5.202 -5.914 14.303 1.00 70.11 H new ATOM 1662 N ASP A 109 3.293 -8.532 18.199 1.00 43.43 N ATOM 1663 CA ASP A 109 2.357 -9.325 19.001 1.00 12.22 C ATOM 1664 C ASP A 109 1.127 -8.502 19.418 1.00 72.42 C ATOM 1665 O ASP A 109 -0.005 -8.987 19.354 1.00 32.34 O ATOM 1666 CB ASP A 109 3.072 -9.887 20.234 1.00 14.24 C ATOM 1667 CG ASP A 109 4.117 -10.920 19.857 1.00 14.21 C ATOM 1668 OD1 ASP A 109 5.194 -10.532 19.364 1.00 71.21 O ATOM 1669 OD2 ASP A 109 3.853 -12.130 20.021 1.00 54.15 O ATOM 0 H ASP A 109 4.049 -8.109 18.737 1.00 43.43 H new ATOM 0 HA ASP A 109 2.001 -10.151 18.385 1.00 12.22 H new ATOM 0 HB2 ASP A 109 3.547 -9.073 20.782 1.00 14.24 H new ATOM 0 HB3 ASP A 109 2.340 -10.338 20.904 1.00 14.24 H new ATOM 1674 N ASN A 110 1.351 -7.258 19.840 1.00 52.03 N ATOM 1675 CA ASN A 110 0.259 -6.364 20.243 1.00 4.23 C ATOM 1676 C ASN A 110 0.530 -4.910 19.815 1.00 33.14 C ATOM 1677 O ASN A 110 1.483 -4.277 20.271 1.00 65.04 O ATOM 1678 CB ASN A 110 -0.002 -6.458 21.763 1.00 65.23 C ATOM 1679 CG ASN A 110 1.258 -6.552 22.622 1.00 33.43 C ATOM 1680 OD1 ASN A 110 2.341 -5.930 22.206 1.00 51.23 O flip ATOM 1681 ND2 ASN A 110 1.250 -7.175 23.678 1.00 24.21 N flip ATOM 0 H ASN A 110 2.280 -6.843 19.913 1.00 52.03 H new ATOM 0 HA ASN A 110 -0.642 -6.693 19.726 1.00 4.23 H new ATOM 0 HB2 ASN A 110 -0.573 -5.584 22.075 1.00 65.23 H new ATOM 0 HB3 ASN A 110 -0.624 -7.331 21.958 1.00 65.23 H new ATOM 0 HD21 ASN A 110 0.401 -7.650 23.983 1.00 24.21 H new ATOM 0 HD22 ASN A 110 2.093 -7.218 24.251 1.00 24.21 H new ATOM 1688 N PHE A 111 -0.313 -4.390 18.929 1.00 42.42 N ATOM 1689 CA PHE A 111 -0.144 -3.032 18.404 1.00 63.41 C ATOM 1690 C PHE A 111 -1.494 -2.353 18.119 1.00 55.41 C ATOM 1691 O PHE A 111 -2.533 -3.010 18.038 1.00 52.54 O ATOM 1692 CB PHE A 111 0.702 -3.060 17.123 1.00 63.51 C ATOM 1693 CG PHE A 111 0.091 -3.854 15.989 1.00 51.15 C ATOM 1694 CD1 PHE A 111 0.125 -5.244 15.996 1.00 53.11 C ATOM 1695 CD2 PHE A 111 -0.508 -3.212 14.913 1.00 25.32 C ATOM 1696 CE1 PHE A 111 -0.424 -5.970 14.956 1.00 63.42 C ATOM 1697 CE2 PHE A 111 -1.060 -3.934 13.873 1.00 3.21 C ATOM 1698 CZ PHE A 111 -1.018 -5.315 13.896 1.00 12.52 C ATOM 0 H PHE A 111 -1.123 -4.886 18.556 1.00 42.42 H new ATOM 0 HA PHE A 111 0.368 -2.449 19.170 1.00 63.41 H new ATOM 0 HB2 PHE A 111 0.865 -2.036 16.787 1.00 63.51 H new ATOM 0 HB3 PHE A 111 1.681 -3.478 17.357 1.00 63.51 H new ATOM 0 HD1 PHE A 111 0.586 -5.762 16.824 1.00 53.11 H new ATOM 0 HD2 PHE A 111 -0.543 -2.133 14.889 1.00 25.32 H new ATOM 0 HE1 PHE A 111 -0.388 -7.049 14.973 1.00 63.42 H new ATOM 0 HE2 PHE A 111 -1.523 -3.420 13.044 1.00 3.21 H new ATOM 0 HZ PHE A 111 -1.450 -5.882 13.085 1.00 12.52 H new ATOM 1708 N GLN A 112 -1.463 -1.029 17.979 1.00 53.04 N ATOM 1709 CA GLN A 112 -2.646 -0.247 17.601 1.00 43.23 C ATOM 1710 C GLN A 112 -2.295 0.746 16.482 1.00 60.24 C ATOM 1711 O GLN A 112 -1.312 1.488 16.579 1.00 42.24 O ATOM 1712 CB GLN A 112 -3.214 0.500 18.818 1.00 5.24 C ATOM 1713 CG GLN A 112 -3.726 -0.423 19.923 1.00 33.44 C ATOM 1714 CD GLN A 112 -4.299 0.337 21.106 1.00 71.13 C ATOM 1715 OE1 GLN A 112 -3.597 0.658 22.059 1.00 73.41 O ATOM 1716 NE2 GLN A 112 -5.581 0.627 21.056 1.00 23.53 N ATOM 0 H GLN A 112 -0.624 -0.468 18.123 1.00 53.04 H new ATOM 0 HA GLN A 112 -3.408 -0.934 17.233 1.00 43.23 H new ATOM 0 HB2 GLN A 112 -2.440 1.149 19.228 1.00 5.24 H new ATOM 0 HB3 GLN A 112 -4.029 1.145 18.489 1.00 5.24 H new ATOM 0 HG2 GLN A 112 -4.493 -1.081 19.514 1.00 33.44 H new ATOM 0 HG3 GLN A 112 -2.910 -1.059 20.266 1.00 33.44 H new ATOM 0 HE21 GLN A 112 -6.136 0.345 20.248 1.00 23.53 H new ATOM 0 HE22 GLN A 112 -6.020 1.134 21.825 1.00 23.53 H new ATOM 1725 N GLU A 113 -3.092 0.741 15.416 1.00 42.53 N ATOM 1726 CA GLU A 113 -2.855 1.610 14.259 1.00 65.42 C ATOM 1727 C GLU A 113 -3.385 3.031 14.514 1.00 74.44 C ATOM 1728 O GLU A 113 -4.596 3.268 14.489 1.00 74.02 O ATOM 1729 CB GLU A 113 -3.516 1.022 12.997 1.00 74.45 C ATOM 1730 CG GLU A 113 -3.205 -0.455 12.741 1.00 72.43 C ATOM 1731 CD GLU A 113 -4.082 -1.397 13.556 1.00 55.24 C ATOM 1732 OE1 GLU A 113 -5.245 -1.621 13.160 1.00 74.01 O ATOM 1733 OE2 GLU A 113 -3.626 -1.905 14.599 1.00 14.00 O ATOM 0 H GLU A 113 -3.913 0.142 15.327 1.00 42.53 H new ATOM 0 HA GLU A 113 -1.778 1.668 14.102 1.00 65.42 H new ATOM 0 HB2 GLU A 113 -4.596 1.143 13.079 1.00 74.45 H new ATOM 0 HB3 GLU A 113 -3.195 1.602 12.132 1.00 74.45 H new ATOM 0 HG2 GLU A 113 -3.337 -0.670 11.681 1.00 72.43 H new ATOM 0 HG3 GLU A 113 -2.158 -0.647 12.977 1.00 72.43 H new ATOM 1740 N ILE A 114 -2.476 3.973 14.750 1.00 45.51 N ATOM 1741 CA ILE A 114 -2.852 5.349 15.101 1.00 11.31 C ATOM 1742 C ILE A 114 -2.510 6.352 13.982 1.00 43.22 C ATOM 1743 O ILE A 114 -1.691 6.069 13.106 1.00 61.32 O ATOM 1744 CB ILE A 114 -2.147 5.798 16.409 1.00 11.40 C ATOM 1745 CG1 ILE A 114 -0.616 5.749 16.240 1.00 54.22 C ATOM 1746 CG2 ILE A 114 -2.595 4.924 17.583 1.00 24.21 C ATOM 1747 CD1 ILE A 114 0.151 6.236 17.452 1.00 23.51 C ATOM 0 H ILE A 114 -1.470 3.813 14.706 1.00 45.51 H new ATOM 0 HA ILE A 114 -3.933 5.345 15.243 1.00 11.31 H new ATOM 0 HB ILE A 114 -2.432 6.828 16.623 1.00 11.40 H new ATOM 0 HG12 ILE A 114 -0.317 4.724 16.021 1.00 54.22 H new ATOM 0 HG13 ILE A 114 -0.336 6.354 15.378 1.00 54.22 H new ATOM 0 HG21 ILE A 114 -2.092 5.251 18.493 1.00 24.21 H new ATOM 0 HG22 ILE A 114 -3.674 5.013 17.712 1.00 24.21 H new ATOM 0 HG23 ILE A 114 -2.339 3.884 17.381 1.00 24.21 H new ATOM 0 HD11 ILE A 114 1.221 6.171 17.256 1.00 23.51 H new ATOM 0 HD12 ILE A 114 -0.117 7.272 17.660 1.00 23.51 H new ATOM 0 HD13 ILE A 114 -0.098 5.616 18.313 1.00 23.51 H new ATOM 1759 N ASN A 115 -3.160 7.523 14.019 1.00 21.11 N ATOM 1760 CA ASN A 115 -2.876 8.628 13.080 1.00 24.35 C ATOM 1761 C ASN A 115 -3.080 8.228 11.604 1.00 33.04 C ATOM 1762 O ASN A 115 -2.560 8.882 10.697 1.00 11.32 O ATOM 1763 CB ASN A 115 -1.441 9.145 13.290 1.00 52.15 C ATOM 1764 CG ASN A 115 -1.210 9.665 14.700 1.00 12.01 C ATOM 1765 OD1 ASN A 115 -2.132 10.131 15.359 1.00 44.23 O ATOM 1766 ND2 ASN A 115 0.021 9.594 15.170 1.00 23.51 N ATOM 0 H ASN A 115 -3.894 7.735 14.695 1.00 21.11 H new ATOM 0 HA ASN A 115 -3.593 9.420 13.298 1.00 24.35 H new ATOM 0 HB2 ASN A 115 -0.735 8.341 13.082 1.00 52.15 H new ATOM 0 HB3 ASN A 115 -1.237 9.942 12.574 1.00 52.15 H new ATOM 0 HD21 ASN A 115 0.229 9.933 16.109 1.00 23.51 H new ATOM 0 HD22 ASN A 115 0.765 9.200 14.594 1.00 23.51 H new ATOM 1773 N VAL A 116 -3.861 7.176 11.365 1.00 42.05 N ATOM 1774 CA VAL A 116 -4.054 6.653 10.008 1.00 64.13 C ATOM 1775 C VAL A 116 -5.148 7.404 9.230 1.00 5.45 C ATOM 1776 O VAL A 116 -6.208 7.729 9.765 1.00 74.55 O ATOM 1777 CB VAL A 116 -4.381 5.137 10.023 1.00 24.04 C ATOM 1778 CG1 VAL A 116 -5.624 4.842 10.864 1.00 25.25 C ATOM 1779 CG2 VAL A 116 -4.543 4.617 8.595 1.00 74.12 C ATOM 0 H VAL A 116 -4.370 6.668 12.089 1.00 42.05 H new ATOM 0 HA VAL A 116 -3.106 6.812 9.494 1.00 64.13 H new ATOM 0 HB VAL A 116 -3.546 4.613 10.488 1.00 24.04 H new ATOM 0 HG11 VAL A 116 -5.825 3.771 10.853 1.00 25.25 H new ATOM 0 HG12 VAL A 116 -5.455 5.169 11.890 1.00 25.25 H new ATOM 0 HG13 VAL A 116 -6.479 5.376 10.449 1.00 25.25 H new ATOM 0 HG21 VAL A 116 -4.772 3.552 8.620 1.00 74.12 H new ATOM 0 HG22 VAL A 116 -5.355 5.152 8.103 1.00 74.12 H new ATOM 0 HG23 VAL A 116 -3.617 4.776 8.043 1.00 74.12 H new ATOM 1789 N GLN A 117 -4.869 7.675 7.956 1.00 43.24 N ATOM 1790 CA GLN A 117 -5.826 8.331 7.058 1.00 4.44 C ATOM 1791 C GLN A 117 -6.190 7.412 5.884 1.00 54.30 C ATOM 1792 O GLN A 117 -5.458 6.472 5.568 1.00 62.25 O ATOM 1793 CB GLN A 117 -5.232 9.632 6.505 1.00 52.13 C ATOM 1794 CG GLN A 117 -4.725 10.594 7.572 1.00 64.22 C ATOM 1795 CD GLN A 117 -3.915 11.728 6.973 1.00 71.50 C ATOM 1796 OE1 GLN A 117 -4.442 12.784 6.641 1.00 73.55 O ATOM 1797 NE2 GLN A 117 -2.626 11.507 6.810 1.00 3.44 N ATOM 0 H GLN A 117 -3.977 7.448 7.516 1.00 43.24 H new ATOM 0 HA GLN A 117 -6.725 8.552 7.633 1.00 4.44 H new ATOM 0 HB2 GLN A 117 -4.409 9.385 5.834 1.00 52.13 H new ATOM 0 HB3 GLN A 117 -5.990 10.138 5.907 1.00 52.13 H new ATOM 0 HG2 GLN A 117 -5.572 11.004 8.123 1.00 64.22 H new ATOM 0 HG3 GLN A 117 -4.111 10.049 8.290 1.00 64.22 H new ATOM 0 HE21 GLN A 117 -2.221 10.616 7.098 1.00 3.44 H new ATOM 0 HE22 GLN A 117 -2.034 12.227 6.396 1.00 3.44 H new ATOM 1806 N ASN A 118 -7.305 7.708 5.228 1.00 13.13 N ATOM 1807 CA ASN A 118 -7.747 6.936 4.061 1.00 35.34 C ATOM 1808 C ASN A 118 -7.630 7.762 2.768 1.00 61.35 C ATOM 1809 O ASN A 118 -7.725 8.989 2.791 1.00 45.42 O ATOM 1810 CB ASN A 118 -9.196 6.475 4.248 1.00 42.34 C ATOM 1811 CG ASN A 118 -10.131 7.632 4.555 1.00 63.11 C ATOM 1812 OD1 ASN A 118 -10.446 7.905 5.708 1.00 30.30 O ATOM 1813 ND2 ASN A 118 -10.558 8.343 3.532 1.00 40.22 N ATOM 0 H ASN A 118 -7.925 8.478 5.481 1.00 13.13 H new ATOM 0 HA ASN A 118 -7.097 6.065 3.973 1.00 35.34 H new ATOM 0 HB2 ASN A 118 -9.533 5.967 3.344 1.00 42.34 H new ATOM 0 HB3 ASN A 118 -9.242 5.748 5.059 1.00 42.34 H new ATOM 0 HD21 ASN A 118 -11.168 9.146 3.688 1.00 40.22 H new ATOM 0 HD22 ASN A 118 -10.279 8.091 2.584 1.00 40.22 H new ATOM 1820 N GLN A 119 -7.427 7.081 1.645 1.00 42.43 N ATOM 1821 CA GLN A 119 -7.410 7.733 0.329 1.00 2.12 C ATOM 1822 C GLN A 119 -7.941 6.775 -0.751 1.00 63.40 C ATOM 1823 O GLN A 119 -7.722 5.565 -0.678 1.00 62.52 O ATOM 1824 CB GLN A 119 -5.988 8.203 -0.025 1.00 63.22 C ATOM 1825 CG GLN A 119 -5.900 8.988 -1.335 1.00 60.23 C ATOM 1826 CD GLN A 119 -4.494 9.484 -1.653 1.00 42.20 C ATOM 1827 OE1 GLN A 119 -3.718 9.802 -0.633 1.00 32.54 O flip ATOM 1828 NE2 GLN A 119 -4.112 9.599 -2.811 1.00 74.32 N flip ATOM 0 H GLN A 119 -7.271 6.073 1.614 1.00 42.43 H new ATOM 0 HA GLN A 119 -8.061 8.606 0.370 1.00 2.12 H new ATOM 0 HB2 GLN A 119 -5.610 8.826 0.786 1.00 63.22 H new ATOM 0 HB3 GLN A 119 -5.335 7.333 -0.090 1.00 63.22 H new ATOM 0 HG2 GLN A 119 -6.247 8.356 -2.152 1.00 60.23 H new ATOM 0 HG3 GLN A 119 -6.575 9.842 -1.284 1.00 60.23 H new ATOM 0 HE21 GLN A 119 -4.732 9.346 -3.580 1.00 74.32 H new ATOM 0 HE22 GLN A 119 -3.174 9.948 -3.006 1.00 74.32 H new ATOM 1837 N LEU A 120 -8.642 7.317 -1.743 1.00 61.10 N ATOM 1838 CA LEU A 120 -9.232 6.501 -2.814 1.00 61.42 C ATOM 1839 C LEU A 120 -8.383 6.547 -4.090 1.00 63.52 C ATOM 1840 O LEU A 120 -8.282 7.589 -4.741 1.00 70.24 O ATOM 1841 CB LEU A 120 -10.657 6.978 -3.122 1.00 75.43 C ATOM 1842 CG LEU A 120 -11.697 6.679 -2.033 1.00 25.05 C ATOM 1843 CD1 LEU A 120 -13.037 7.322 -2.376 1.00 14.41 C ATOM 1844 CD2 LEU A 120 -11.854 5.171 -1.848 1.00 64.24 C ATOM 0 H LEU A 120 -8.819 8.318 -1.832 1.00 61.10 H new ATOM 0 HA LEU A 120 -9.262 5.469 -2.464 1.00 61.42 H new ATOM 0 HB2 LEU A 120 -10.633 8.054 -3.294 1.00 75.43 H new ATOM 0 HB3 LEU A 120 -10.985 6.514 -4.052 1.00 75.43 H new ATOM 0 HG LEU A 120 -11.346 7.107 -1.094 1.00 25.05 H new ATOM 0 HD11 LEU A 120 -13.760 7.098 -1.591 1.00 14.41 H new ATOM 0 HD12 LEU A 120 -12.912 8.402 -2.457 1.00 14.41 H new ATOM 0 HD13 LEU A 120 -13.398 6.927 -3.325 1.00 14.41 H new ATOM 0 HD21 LEU A 120 -12.595 4.975 -1.073 1.00 64.24 H new ATOM 0 HD22 LEU A 120 -12.182 4.722 -2.785 1.00 64.24 H new ATOM 0 HD23 LEU A 120 -10.898 4.739 -1.554 1.00 64.24 H new ATOM 1856 N ILE A 121 -7.772 5.416 -4.435 1.00 22.41 N ATOM 1857 CA ILE A 121 -6.978 5.305 -5.663 1.00 33.44 C ATOM 1858 C ILE A 121 -7.821 4.742 -6.822 1.00 13.04 C ATOM 1859 O ILE A 121 -8.318 3.616 -6.759 1.00 70.45 O ATOM 1860 CB ILE A 121 -5.716 4.422 -5.447 1.00 61.53 C ATOM 1861 CG1 ILE A 121 -6.097 3.006 -4.967 1.00 42.04 C ATOM 1862 CG2 ILE A 121 -4.771 5.090 -4.448 1.00 52.53 C ATOM 1863 CD1 ILE A 121 -4.918 2.062 -4.839 1.00 73.42 C ATOM 0 H ILE A 121 -7.810 4.560 -3.882 1.00 22.41 H new ATOM 0 HA ILE A 121 -6.652 6.312 -5.925 1.00 33.44 H new ATOM 0 HB ILE A 121 -5.205 4.321 -6.405 1.00 61.53 H new ATOM 0 HG12 ILE A 121 -6.595 3.083 -4.000 1.00 42.04 H new ATOM 0 HG13 ILE A 121 -6.818 2.579 -5.664 1.00 42.04 H new ATOM 0 HG21 ILE A 121 -3.891 4.463 -4.304 1.00 52.53 H new ATOM 0 HG22 ILE A 121 -4.465 6.063 -4.832 1.00 52.53 H new ATOM 0 HG23 ILE A 121 -5.283 5.221 -3.495 1.00 52.53 H new ATOM 0 HD11 ILE A 121 -5.267 1.088 -4.497 1.00 73.42 H new ATOM 0 HD12 ILE A 121 -4.432 1.953 -5.809 1.00 73.42 H new ATOM 0 HD13 ILE A 121 -4.206 2.465 -4.119 1.00 73.42 H new ATOM 1875 N ASN A 122 -8.003 5.542 -7.869 1.00 61.14 N ATOM 1876 CA ASN A 122 -8.761 5.112 -9.051 1.00 35.12 C ATOM 1877 C ASN A 122 -7.817 4.731 -10.205 1.00 14.43 C ATOM 1878 O ASN A 122 -7.215 5.596 -10.844 1.00 3.51 O ATOM 1879 CB ASN A 122 -9.726 6.224 -9.487 1.00 61.53 C ATOM 1880 CG ASN A 122 -10.730 6.572 -8.397 1.00 42.33 C ATOM 1881 OD1 ASN A 122 -11.872 5.916 -8.406 1.00 72.14 O flip ATOM 1882 ND2 ASN A 122 -10.483 7.426 -7.555 1.00 43.32 N flip ATOM 0 H ASN A 122 -7.638 6.493 -7.928 1.00 61.14 H new ATOM 0 HA ASN A 122 -9.338 4.226 -8.787 1.00 35.12 H new ATOM 0 HB2 ASN A 122 -9.156 7.115 -9.752 1.00 61.53 H new ATOM 0 HB3 ASN A 122 -10.260 5.909 -10.384 1.00 61.53 H new ATOM 0 HD21 ASN A 122 -9.589 7.917 -7.574 1.00 43.32 H new ATOM 0 HD22 ASN A 122 -11.171 7.646 -6.835 1.00 43.32 H new ATOM 1889 N ALA A 123 -7.682 3.431 -10.457 1.00 22.42 N ATOM 1890 CA ALA A 123 -6.794 2.924 -11.511 1.00 14.21 C ATOM 1891 C ALA A 123 -7.522 2.799 -12.863 1.00 12.14 C ATOM 1892 O ALA A 123 -8.720 2.502 -12.906 1.00 3.32 O ATOM 1893 CB ALA A 123 -6.213 1.576 -11.095 1.00 42.01 C ATOM 0 H ALA A 123 -8.178 2.702 -9.944 1.00 22.42 H new ATOM 0 HA ALA A 123 -5.985 3.643 -11.642 1.00 14.21 H new ATOM 0 HB1 ALA A 123 -5.555 1.205 -11.881 1.00 42.01 H new ATOM 0 HB2 ALA A 123 -5.645 1.694 -10.172 1.00 42.01 H new ATOM 0 HB3 ALA A 123 -7.023 0.865 -10.934 1.00 42.01 H new ATOM 1899 N PRO A 124 -6.807 3.024 -13.988 1.00 54.54 N ATOM 1900 CA PRO A 124 -7.385 2.913 -15.343 1.00 52.24 C ATOM 1901 C PRO A 124 -7.644 1.456 -15.778 1.00 24.20 C ATOM 1902 O PRO A 124 -7.206 0.510 -15.125 1.00 51.24 O ATOM 1903 CB PRO A 124 -6.309 3.559 -16.229 1.00 34.31 C ATOM 1904 CG PRO A 124 -5.033 3.323 -15.494 1.00 43.12 C ATOM 1905 CD PRO A 124 -5.381 3.412 -14.031 1.00 30.32 C ATOM 0 HA PRO A 124 -8.364 3.389 -15.405 1.00 52.24 H new ATOM 0 HB2 PRO A 124 -6.286 3.106 -17.220 1.00 34.31 H new ATOM 0 HB3 PRO A 124 -6.496 4.624 -16.369 1.00 34.31 H new ATOM 0 HG2 PRO A 124 -4.616 2.346 -15.738 1.00 43.12 H new ATOM 0 HG3 PRO A 124 -4.283 4.066 -15.764 1.00 43.12 H new ATOM 0 HD2 PRO A 124 -4.765 2.742 -13.431 1.00 30.32 H new ATOM 0 HD3 PRO A 124 -5.228 4.419 -13.643 1.00 30.32 H new ATOM 1913 N ALA A 125 -8.354 1.286 -16.894 1.00 13.35 N ATOM 1914 CA ALA A 125 -8.697 -0.047 -17.405 1.00 2.42 C ATOM 1915 C ALA A 125 -7.614 -0.592 -18.351 1.00 44.20 C ATOM 1916 O ALA A 125 -7.224 0.076 -19.311 1.00 23.13 O ATOM 1917 CB ALA A 125 -10.041 0.003 -18.123 1.00 73.33 C ATOM 0 H ALA A 125 -8.705 2.055 -17.465 1.00 13.35 H new ATOM 0 HA ALA A 125 -8.762 -0.724 -16.553 1.00 2.42 H new ATOM 0 HB1 ALA A 125 -10.289 -0.989 -18.500 1.00 73.33 H new ATOM 0 HB2 ALA A 125 -10.813 0.331 -17.427 1.00 73.33 H new ATOM 0 HB3 ALA A 125 -9.983 0.703 -18.956 1.00 73.33 H new ATOM 1923 N SER A 126 -7.139 -1.807 -18.083 1.00 60.24 N ATOM 1924 CA SER A 126 -6.133 -2.450 -18.939 1.00 64.24 C ATOM 1925 C SER A 126 -6.788 -3.199 -20.106 1.00 73.11 C ATOM 1926 O SER A 126 -7.775 -3.918 -19.928 1.00 54.40 O ATOM 1927 CB SER A 126 -5.270 -3.425 -18.129 1.00 72.51 C ATOM 1928 OG SER A 126 -4.326 -4.089 -18.960 1.00 24.23 O ATOM 0 H SER A 126 -7.431 -2.368 -17.283 1.00 60.24 H new ATOM 0 HA SER A 126 -5.500 -1.659 -19.342 1.00 64.24 H new ATOM 0 HB2 SER A 126 -4.747 -2.883 -17.341 1.00 72.51 H new ATOM 0 HB3 SER A 126 -5.909 -4.161 -17.640 1.00 72.51 H new ATOM 0 HG SER A 126 -3.788 -4.703 -18.418 1.00 24.23 H new ATOM 1934 N VAL A 127 -6.230 -3.023 -21.304 1.00 10.42 N ATOM 1935 CA VAL A 127 -6.737 -3.694 -22.510 1.00 44.01 C ATOM 1936 C VAL A 127 -5.686 -4.637 -23.127 1.00 14.44 C ATOM 1937 O VAL A 127 -5.922 -5.242 -24.175 1.00 71.21 O ATOM 1938 CB VAL A 127 -7.177 -2.659 -23.578 1.00 21.34 C ATOM 1939 CG1 VAL A 127 -8.327 -1.797 -23.060 1.00 22.54 C ATOM 1940 CG2 VAL A 127 -5.997 -1.787 -24.011 1.00 24.10 C ATOM 0 H VAL A 127 -5.424 -2.420 -21.469 1.00 10.42 H new ATOM 0 HA VAL A 127 -7.597 -4.286 -22.199 1.00 44.01 H new ATOM 0 HB VAL A 127 -7.531 -3.207 -24.451 1.00 21.34 H new ATOM 0 HG11 VAL A 127 -8.618 -1.079 -23.827 1.00 22.54 H new ATOM 0 HG12 VAL A 127 -9.178 -2.433 -22.817 1.00 22.54 H new ATOM 0 HG13 VAL A 127 -8.007 -1.263 -22.165 1.00 22.54 H new ATOM 0 HG21 VAL A 127 -6.331 -1.069 -24.760 1.00 24.10 H new ATOM 0 HG22 VAL A 127 -5.603 -1.253 -23.147 1.00 24.10 H new ATOM 0 HG23 VAL A 127 -5.215 -2.417 -24.435 1.00 24.10 H new ATOM 1950 N LEU A 128 -4.537 -4.777 -22.461 1.00 72.05 N ATOM 1951 CA LEU A 128 -3.418 -5.575 -22.991 1.00 31.04 C ATOM 1952 C LEU A 128 -2.778 -6.460 -21.906 1.00 20.24 C ATOM 1953 O LEU A 128 -3.074 -6.330 -20.719 1.00 74.55 O ATOM 1954 CB LEU A 128 -2.350 -4.647 -23.592 1.00 20.42 C ATOM 1955 CG LEU A 128 -2.803 -3.815 -24.805 1.00 25.12 C ATOM 1956 CD1 LEU A 128 -1.704 -2.846 -25.237 1.00 64.44 C ATOM 1957 CD2 LEU A 128 -3.214 -4.724 -25.966 1.00 3.24 C ATOM 0 H LEU A 128 -4.353 -4.350 -21.553 1.00 72.05 H new ATOM 0 HA LEU A 128 -3.821 -6.230 -23.764 1.00 31.04 H new ATOM 0 HB2 LEU A 128 -2.006 -3.966 -22.814 1.00 20.42 H new ATOM 0 HB3 LEU A 128 -1.493 -5.252 -23.888 1.00 20.42 H new ATOM 0 HG LEU A 128 -3.674 -3.230 -24.509 1.00 25.12 H new ATOM 0 HD11 LEU A 128 -2.045 -2.268 -26.096 1.00 64.44 H new ATOM 0 HD12 LEU A 128 -1.471 -2.170 -24.414 1.00 64.44 H new ATOM 0 HD13 LEU A 128 -0.810 -3.407 -25.510 1.00 64.44 H new ATOM 0 HD21 LEU A 128 -3.530 -4.113 -26.812 1.00 3.24 H new ATOM 0 HD22 LEU A 128 -2.366 -5.342 -26.262 1.00 3.24 H new ATOM 0 HD23 LEU A 128 -4.038 -5.364 -25.652 1.00 3.24 H new ATOM 1969 N ALA A 129 -1.893 -7.360 -22.334 1.00 0.33 N ATOM 1970 CA ALA A 129 -1.183 -8.266 -21.419 1.00 1.04 C ATOM 1971 C ALA A 129 0.345 -8.127 -21.572 1.00 1.45 C ATOM 1972 O ALA A 129 0.837 -7.907 -22.679 1.00 55.32 O ATOM 1973 CB ALA A 129 -1.610 -9.706 -21.685 1.00 44.33 C ATOM 0 H ALA A 129 -1.646 -7.485 -23.316 1.00 0.33 H new ATOM 0 HA ALA A 129 -1.444 -7.995 -20.396 1.00 1.04 H new ATOM 0 HB1 ALA A 129 -1.081 -10.374 -21.005 1.00 44.33 H new ATOM 0 HB2 ALA A 129 -2.684 -9.802 -21.526 1.00 44.33 H new ATOM 0 HB3 ALA A 129 -1.370 -9.972 -22.714 1.00 44.33 H new ATOM 1979 N PRO A 130 1.126 -8.269 -20.474 1.00 1.44 N ATOM 1980 CA PRO A 130 0.610 -8.571 -19.121 1.00 55.33 C ATOM 1981 C PRO A 130 -0.016 -7.351 -18.420 1.00 33.24 C ATOM 1982 O PRO A 130 0.304 -6.201 -18.736 1.00 4.24 O ATOM 1983 CB PRO A 130 1.866 -9.037 -18.379 1.00 41.23 C ATOM 1984 CG PRO A 130 2.976 -8.280 -19.023 1.00 53.14 C ATOM 1985 CD PRO A 130 2.599 -8.145 -20.479 1.00 50.44 C ATOM 0 HA PRO A 130 -0.197 -9.303 -19.147 1.00 55.33 H new ATOM 0 HB2 PRO A 130 1.802 -8.819 -17.313 1.00 41.23 H new ATOM 0 HB3 PRO A 130 2.009 -10.113 -18.476 1.00 41.23 H new ATOM 0 HG2 PRO A 130 3.101 -7.301 -18.560 1.00 53.14 H new ATOM 0 HG3 PRO A 130 3.923 -8.808 -18.913 1.00 53.14 H new ATOM 0 HD2 PRO A 130 2.918 -7.186 -20.888 1.00 50.44 H new ATOM 0 HD3 PRO A 130 3.064 -8.922 -21.086 1.00 50.44 H new ATOM 1993 N SER A 131 -0.911 -7.609 -17.467 1.00 24.33 N ATOM 1994 CA SER A 131 -1.636 -6.532 -16.781 1.00 14.34 C ATOM 1995 C SER A 131 -0.972 -6.122 -15.455 1.00 20.00 C ATOM 1996 O SER A 131 -1.343 -6.609 -14.384 1.00 34.12 O ATOM 1997 CB SER A 131 -3.091 -6.952 -16.520 1.00 34.23 C ATOM 1998 OG SER A 131 -3.844 -5.890 -15.951 1.00 72.34 O ATOM 0 H SER A 131 -1.153 -8.548 -17.151 1.00 24.33 H new ATOM 0 HA SER A 131 -1.611 -5.665 -17.442 1.00 14.34 H new ATOM 0 HB2 SER A 131 -3.553 -7.267 -17.455 1.00 34.23 H new ATOM 0 HB3 SER A 131 -3.108 -7.812 -15.850 1.00 34.23 H new ATOM 0 HG SER A 131 -4.054 -6.101 -15.017 1.00 72.34 H new ATOM 2004 N ASP A 132 0.031 -5.246 -15.535 1.00 50.24 N ATOM 2005 CA ASP A 132 0.607 -4.608 -14.343 1.00 3.44 C ATOM 2006 C ASP A 132 0.452 -3.077 -14.432 1.00 21.13 C ATOM 2007 O ASP A 132 1.099 -2.416 -15.241 1.00 65.25 O ATOM 2008 CB ASP A 132 2.078 -5.023 -14.148 1.00 14.44 C ATOM 2009 CG ASP A 132 2.935 -4.801 -15.384 1.00 40.30 C ATOM 2010 OD1 ASP A 132 2.819 -5.594 -16.341 1.00 13.21 O ATOM 2011 OD2 ASP A 132 3.743 -3.847 -15.401 1.00 44.13 O ATOM 0 H ASP A 132 0.464 -4.960 -16.413 1.00 50.24 H new ATOM 0 HA ASP A 132 0.060 -4.951 -13.465 1.00 3.44 H new ATOM 0 HB2 ASP A 132 2.500 -4.459 -13.316 1.00 14.44 H new ATOM 0 HB3 ASP A 132 2.117 -6.077 -13.872 1.00 14.44 H new ATOM 2016 N VAL A 133 -0.435 -2.526 -13.605 1.00 4.25 N ATOM 2017 CA VAL A 133 -0.812 -1.107 -13.692 1.00 42.55 C ATOM 2018 C VAL A 133 0.031 -0.217 -12.759 1.00 35.35 C ATOM 2019 O VAL A 133 0.386 -0.620 -11.656 1.00 32.44 O ATOM 2020 CB VAL A 133 -2.314 -0.919 -13.349 1.00 62.21 C ATOM 2021 CG1 VAL A 133 -2.739 0.543 -13.496 1.00 73.35 C ATOM 2022 CG2 VAL A 133 -3.183 -1.829 -14.218 1.00 10.23 C ATOM 0 H VAL A 133 -0.910 -3.039 -12.863 1.00 4.25 H new ATOM 0 HA VAL A 133 -0.621 -0.798 -14.720 1.00 42.55 H new ATOM 0 HB VAL A 133 -2.457 -1.201 -12.306 1.00 62.21 H new ATOM 0 HG11 VAL A 133 -3.796 0.641 -13.249 1.00 73.35 H new ATOM 0 HG12 VAL A 133 -2.149 1.163 -12.821 1.00 73.35 H new ATOM 0 HG13 VAL A 133 -2.575 0.868 -14.523 1.00 73.35 H new ATOM 0 HG21 VAL A 133 -4.232 -1.682 -13.962 1.00 10.23 H new ATOM 0 HG22 VAL A 133 -3.028 -1.585 -15.269 1.00 10.23 H new ATOM 0 HG23 VAL A 133 -2.909 -2.869 -14.043 1.00 10.23 H new ATOM 2032 N ASP A 134 0.339 0.997 -13.213 1.00 3.34 N ATOM 2033 CA ASP A 134 1.061 1.983 -12.397 1.00 71.22 C ATOM 2034 C ASP A 134 0.202 3.228 -12.123 1.00 10.45 C ATOM 2035 O ASP A 134 -0.246 3.903 -13.054 1.00 25.41 O ATOM 2036 CB ASP A 134 2.358 2.399 -13.099 1.00 11.23 C ATOM 2037 CG ASP A 134 3.427 1.329 -13.020 1.00 43.12 C ATOM 2038 OD1 ASP A 134 4.113 1.258 -11.986 1.00 1.31 O ATOM 2039 OD2 ASP A 134 3.596 0.562 -13.993 1.00 45.01 O ATOM 0 H ASP A 134 0.099 1.327 -14.148 1.00 3.34 H new ATOM 0 HA ASP A 134 1.294 1.513 -11.441 1.00 71.22 H new ATOM 0 HB2 ASP A 134 2.147 2.621 -14.145 1.00 11.23 H new ATOM 0 HB3 ASP A 134 2.733 3.318 -12.648 1.00 11.23 H new ATOM 2044 N ILE A 135 -0.029 3.526 -10.842 1.00 14.15 N ATOM 2045 CA ILE A 135 -0.754 4.742 -10.441 1.00 4.54 C ATOM 2046 C ILE A 135 -0.017 5.496 -9.314 1.00 43.10 C ATOM 2047 O ILE A 135 0.311 4.916 -8.275 1.00 51.41 O ATOM 2048 CB ILE A 135 -2.210 4.428 -9.994 1.00 33.25 C ATOM 2049 CG1 ILE A 135 -2.228 3.353 -8.890 1.00 2.11 C ATOM 2050 CG2 ILE A 135 -3.061 3.992 -11.189 1.00 65.44 C ATOM 2051 CD1 ILE A 135 -3.615 3.019 -8.377 1.00 31.23 C ATOM 0 H ILE A 135 0.274 2.944 -10.062 1.00 14.15 H new ATOM 0 HA ILE A 135 -0.794 5.381 -11.323 1.00 4.54 H new ATOM 0 HB ILE A 135 -2.641 5.341 -9.583 1.00 33.25 H new ATOM 0 HG12 ILE A 135 -1.765 2.444 -9.275 1.00 2.11 H new ATOM 0 HG13 ILE A 135 -1.615 3.694 -8.055 1.00 2.11 H new ATOM 0 HG21 ILE A 135 -4.076 3.777 -10.854 1.00 65.44 H new ATOM 0 HG22 ILE A 135 -3.085 4.791 -11.930 1.00 65.44 H new ATOM 0 HG23 ILE A 135 -2.629 3.096 -11.636 1.00 65.44 H new ATOM 0 HD11 ILE A 135 -3.542 2.255 -7.603 1.00 31.23 H new ATOM 0 HD12 ILE A 135 -4.074 3.915 -7.960 1.00 31.23 H new ATOM 0 HD13 ILE A 135 -4.227 2.646 -9.198 1.00 31.23 H new ATOM 2063 N PRO A 136 0.273 6.799 -9.509 1.00 53.23 N ATOM 2064 CA PRO A 136 0.949 7.616 -8.488 1.00 11.41 C ATOM 2065 C PRO A 136 0.053 7.918 -7.274 1.00 4.44 C ATOM 2066 O PRO A 136 -0.965 8.602 -7.382 1.00 32.45 O ATOM 2067 CB PRO A 136 1.306 8.904 -9.237 1.00 53.23 C ATOM 2068 CG PRO A 136 0.316 8.992 -10.353 1.00 62.23 C ATOM 2069 CD PRO A 136 -0.021 7.572 -10.735 1.00 42.25 C ATOM 0 HA PRO A 136 1.813 7.101 -8.068 1.00 11.41 H new ATOM 0 HB2 PRO A 136 1.240 9.772 -8.582 1.00 53.23 H new ATOM 0 HB3 PRO A 136 2.327 8.869 -9.617 1.00 53.23 H new ATOM 0 HG2 PRO A 136 -0.577 9.532 -10.039 1.00 62.23 H new ATOM 0 HG3 PRO A 136 0.734 9.534 -11.201 1.00 62.23 H new ATOM 0 HD2 PRO A 136 -1.066 7.474 -11.029 1.00 42.25 H new ATOM 0 HD3 PRO A 136 0.581 7.231 -11.577 1.00 42.25 H new ATOM 2077 N LEU A 137 0.450 7.406 -6.118 1.00 63.32 N ATOM 2078 CA LEU A 137 -0.305 7.592 -4.876 1.00 30.01 C ATOM 2079 C LEU A 137 0.206 8.840 -4.131 1.00 51.35 C ATOM 2080 O LEU A 137 1.331 8.858 -3.623 1.00 45.44 O ATOM 2081 CB LEU A 137 -0.174 6.334 -3.991 1.00 13.44 C ATOM 2082 CG LEU A 137 -1.443 5.906 -3.227 1.00 10.42 C ATOM 2083 CD1 LEU A 137 -1.159 4.691 -2.347 1.00 52.11 C ATOM 2084 CD2 LEU A 137 -1.997 7.058 -2.393 1.00 41.52 C ATOM 0 H LEU A 137 1.299 6.852 -6.009 1.00 63.32 H new ATOM 0 HA LEU A 137 -1.359 7.741 -5.113 1.00 30.01 H new ATOM 0 HB2 LEU A 137 0.144 5.503 -4.621 1.00 13.44 H new ATOM 0 HB3 LEU A 137 0.621 6.506 -3.266 1.00 13.44 H new ATOM 0 HG LEU A 137 -2.199 5.629 -3.961 1.00 10.42 H new ATOM 0 HD11 LEU A 137 -2.068 4.405 -1.817 1.00 52.11 H new ATOM 0 HD12 LEU A 137 -0.826 3.861 -2.970 1.00 52.11 H new ATOM 0 HD13 LEU A 137 -0.380 4.938 -1.625 1.00 52.11 H new ATOM 0 HD21 LEU A 137 -2.892 6.728 -1.865 1.00 41.52 H new ATOM 0 HD22 LEU A 137 -1.246 7.378 -1.670 1.00 41.52 H new ATOM 0 HD23 LEU A 137 -2.249 7.892 -3.047 1.00 41.52 H new ATOM 2096 N GLN A 138 -0.621 9.882 -4.076 1.00 13.43 N ATOM 2097 CA GLN A 138 -0.219 11.163 -3.484 1.00 61.32 C ATOM 2098 C GLN A 138 -0.784 11.325 -2.059 1.00 64.11 C ATOM 2099 O GLN A 138 -1.960 11.636 -1.873 1.00 3.32 O ATOM 2100 CB GLN A 138 -0.684 12.310 -4.397 1.00 1.22 C ATOM 2101 CG GLN A 138 -0.034 13.658 -4.096 1.00 61.22 C ATOM 2102 CD GLN A 138 -0.396 14.739 -5.110 1.00 55.23 C ATOM 2103 OE1 GLN A 138 -0.645 14.354 -6.350 1.00 62.44 O flip ATOM 2104 NE2 GLN A 138 -0.441 15.920 -4.786 1.00 74.21 N flip ATOM 0 H GLN A 138 -1.576 9.867 -4.434 1.00 13.43 H new ATOM 0 HA GLN A 138 0.867 11.189 -3.400 1.00 61.32 H new ATOM 0 HB2 GLN A 138 -0.474 12.042 -5.432 1.00 1.22 H new ATOM 0 HB3 GLN A 138 -1.765 12.414 -4.308 1.00 1.22 H new ATOM 0 HG2 GLN A 138 -0.336 13.986 -3.101 1.00 61.22 H new ATOM 0 HG3 GLN A 138 1.049 13.536 -4.076 1.00 61.22 H new ATOM 0 HE21 GLN A 138 -0.245 16.192 -3.823 1.00 74.21 H new ATOM 0 HE22 GLN A 138 -0.675 16.631 -5.480 1.00 74.21 H new ATOM 2113 N LEU A 139 0.062 11.094 -1.057 1.00 30.11 N ATOM 2114 CA LEU A 139 -0.351 11.158 0.355 1.00 40.53 C ATOM 2115 C LEU A 139 -0.196 12.576 0.931 1.00 23.45 C ATOM 2116 O LEU A 139 0.698 13.322 0.530 1.00 64.11 O ATOM 2117 CB LEU A 139 0.484 10.171 1.186 1.00 53.24 C ATOM 2118 CG LEU A 139 0.468 8.717 0.688 1.00 33.13 C ATOM 2119 CD1 LEU A 139 1.415 7.848 1.513 1.00 40.13 C ATOM 2120 CD2 LEU A 139 -0.948 8.150 0.719 1.00 41.25 C ATOM 0 H LEU A 139 1.045 10.859 -1.192 1.00 30.11 H new ATOM 0 HA LEU A 139 -1.406 10.889 0.405 1.00 40.53 H new ATOM 0 HB2 LEU A 139 1.516 10.520 1.205 1.00 53.24 H new ATOM 0 HB3 LEU A 139 0.122 10.190 2.214 1.00 53.24 H new ATOM 0 HG LEU A 139 0.816 8.711 -0.345 1.00 33.13 H new ATOM 0 HD11 LEU A 139 1.386 6.824 1.141 1.00 40.13 H new ATOM 0 HD12 LEU A 139 2.430 8.236 1.429 1.00 40.13 H new ATOM 0 HD13 LEU A 139 1.106 7.864 2.558 1.00 40.13 H new ATOM 0 HD21 LEU A 139 -0.935 7.120 0.362 1.00 41.25 H new ATOM 0 HD22 LEU A 139 -1.328 8.176 1.740 1.00 41.25 H new ATOM 0 HD23 LEU A 139 -1.594 8.749 0.076 1.00 41.25 H new ATOM 2132 N LYS A 140 -1.059 12.930 1.886 1.00 74.04 N ATOM 2133 CA LYS A 140 -1.019 14.255 2.526 1.00 0.24 C ATOM 2134 C LYS A 140 -0.834 14.147 4.053 1.00 23.11 C ATOM 2135 O LYS A 140 -1.256 13.169 4.676 1.00 51.30 O ATOM 2136 CB LYS A 140 -2.313 15.030 2.237 1.00 40.24 C ATOM 2137 CG LYS A 140 -2.583 15.294 0.758 1.00 53.21 C ATOM 2138 CD LYS A 140 -3.889 16.059 0.559 1.00 3.25 C ATOM 2139 CE LYS A 140 -4.211 16.274 -0.915 1.00 4.42 C ATOM 2140 NZ LYS A 140 -3.187 17.110 -1.602 1.00 54.24 N ATOM 0 H LYS A 140 -1.797 12.319 2.236 1.00 74.04 H new ATOM 0 HA LYS A 140 -0.164 14.786 2.107 1.00 0.24 H new ATOM 0 HB2 LYS A 140 -3.154 14.474 2.652 1.00 40.24 H new ATOM 0 HB3 LYS A 140 -2.273 15.985 2.761 1.00 40.24 H new ATOM 0 HG2 LYS A 140 -1.757 15.864 0.332 1.00 53.21 H new ATOM 0 HG3 LYS A 140 -2.628 14.347 0.220 1.00 53.21 H new ATOM 0 HD2 LYS A 140 -4.705 15.511 1.031 1.00 3.25 H new ATOM 0 HD3 LYS A 140 -3.822 17.025 1.059 1.00 3.25 H new ATOM 0 HE2 LYS A 140 -4.282 15.307 -1.414 1.00 4.42 H new ATOM 0 HE3 LYS A 140 -5.187 16.751 -1.005 1.00 4.42 H new ATOM 0 HZ1 LYS A 140 -3.499 17.313 -2.573 1.00 54.24 H new ATOM 0 HZ2 LYS A 140 -3.064 18.003 -1.084 1.00 54.24 H new ATOM 0 HZ3 LYS A 140 -2.282 16.598 -1.629 1.00 54.24 H new ATOM 2154 N GLY A 141 -0.198 15.162 4.640 1.00 34.11 N ATOM 2155 CA GLY A 141 -0.075 15.248 6.096 1.00 60.13 C ATOM 2156 C GLY A 141 0.742 14.124 6.729 1.00 1.34 C ATOM 2157 O GLY A 141 0.526 13.766 7.892 1.00 61.41 O ATOM 0 H GLY A 141 0.238 15.932 4.133 1.00 34.11 H new ATOM 0 HA2 GLY A 141 0.383 16.203 6.354 1.00 60.13 H new ATOM 0 HA3 GLY A 141 -1.073 15.245 6.533 1.00 60.13 H new ATOM 2161 N ILE A 142 1.698 13.581 5.983 1.00 51.34 N ATOM 2162 CA ILE A 142 2.526 12.477 6.476 1.00 51.20 C ATOM 2163 C ILE A 142 3.850 12.374 5.697 1.00 5.21 C ATOM 2164 O ILE A 142 3.873 12.465 4.469 1.00 31.13 O ATOM 2165 CB ILE A 142 1.755 11.129 6.415 1.00 23.55 C ATOM 2166 CG1 ILE A 142 2.545 10.006 7.113 1.00 21.12 C ATOM 2167 CG2 ILE A 142 1.434 10.750 4.966 1.00 52.54 C ATOM 2168 CD1 ILE A 142 1.745 8.732 7.310 1.00 31.23 C ATOM 0 H ILE A 142 1.922 13.884 5.035 1.00 51.34 H new ATOM 0 HA ILE A 142 2.764 12.691 7.518 1.00 51.20 H new ATOM 0 HB ILE A 142 0.814 11.258 6.949 1.00 23.55 H new ATOM 0 HG12 ILE A 142 3.434 9.779 6.525 1.00 21.12 H new ATOM 0 HG13 ILE A 142 2.888 10.364 8.084 1.00 21.12 H new ATOM 0 HG21 ILE A 142 0.894 9.803 4.949 1.00 52.54 H new ATOM 0 HG22 ILE A 142 0.818 11.527 4.515 1.00 52.54 H new ATOM 0 HG23 ILE A 142 2.361 10.649 4.402 1.00 52.54 H new ATOM 0 HD11 ILE A 142 2.365 7.986 7.807 1.00 31.23 H new ATOM 0 HD12 ILE A 142 0.869 8.943 7.924 1.00 31.23 H new ATOM 0 HD13 ILE A 142 1.425 8.350 6.341 1.00 31.23 H new ATOM 2180 N SER A 143 4.950 12.192 6.426 1.00 11.34 N ATOM 2181 CA SER A 143 6.293 12.148 5.821 1.00 4.42 C ATOM 2182 C SER A 143 6.804 10.706 5.678 1.00 72.24 C ATOM 2183 O SER A 143 6.487 9.844 6.496 1.00 64.51 O ATOM 2184 CB SER A 143 7.281 12.964 6.668 1.00 34.41 C ATOM 2185 OG SER A 143 6.850 14.309 6.809 1.00 72.11 O ATOM 0 H SER A 143 4.944 12.072 7.439 1.00 11.34 H new ATOM 0 HA SER A 143 6.219 12.581 4.824 1.00 4.42 H new ATOM 0 HB2 SER A 143 7.383 12.507 7.652 1.00 34.41 H new ATOM 0 HB3 SER A 143 8.267 12.942 6.203 1.00 34.41 H new ATOM 0 HG SER A 143 7.497 14.804 7.354 1.00 72.11 H new ATOM 2191 N VAL A 144 7.617 10.465 4.645 1.00 0.25 N ATOM 2192 CA VAL A 144 8.139 9.122 4.341 1.00 52.24 C ATOM 2193 C VAL A 144 8.821 8.442 5.551 1.00 63.15 C ATOM 2194 O VAL A 144 8.480 7.312 5.904 1.00 64.35 O ATOM 2195 CB VAL A 144 9.124 9.161 3.136 1.00 72.24 C ATOM 2196 CG1 VAL A 144 10.252 10.170 3.363 1.00 65.41 C ATOM 2197 CG2 VAL A 144 9.694 7.773 2.847 1.00 35.21 C ATOM 0 H VAL A 144 7.932 11.188 3.998 1.00 0.25 H new ATOM 0 HA VAL A 144 7.268 8.520 4.081 1.00 52.24 H new ATOM 0 HB VAL A 144 8.556 9.487 2.264 1.00 72.24 H new ATOM 0 HG11 VAL A 144 10.920 10.169 2.501 1.00 65.41 H new ATOM 0 HG12 VAL A 144 9.829 11.166 3.493 1.00 65.41 H new ATOM 0 HG13 VAL A 144 10.812 9.894 4.256 1.00 65.41 H new ATOM 0 HG21 VAL A 144 10.379 7.830 2.001 1.00 35.21 H new ATOM 0 HG22 VAL A 144 10.230 7.410 3.724 1.00 35.21 H new ATOM 0 HG23 VAL A 144 8.880 7.088 2.610 1.00 35.21 H new ATOM 2207 N ASP A 145 9.765 9.132 6.192 1.00 21.34 N ATOM 2208 CA ASP A 145 10.504 8.556 7.328 1.00 73.32 C ATOM 2209 C ASP A 145 9.606 8.451 8.579 1.00 75.24 C ATOM 2210 O ASP A 145 9.905 7.710 9.519 1.00 11.42 O ATOM 2211 CB ASP A 145 11.757 9.400 7.623 1.00 34.21 C ATOM 2212 CG ASP A 145 12.699 8.738 8.621 1.00 63.23 C ATOM 2213 OD1 ASP A 145 13.351 7.734 8.258 1.00 1.44 O ATOM 2214 OD2 ASP A 145 12.800 9.218 9.771 1.00 53.13 O ATOM 0 H ASP A 145 10.038 10.084 5.950 1.00 21.34 H new ATOM 0 HA ASP A 145 10.816 7.546 7.061 1.00 73.32 H new ATOM 0 HB2 ASP A 145 12.293 9.582 6.692 1.00 34.21 H new ATOM 0 HB3 ASP A 145 11.451 10.372 8.010 1.00 34.21 H new ATOM 2219 N GLN A 146 8.493 9.192 8.568 1.00 44.11 N ATOM 2220 CA GLN A 146 7.526 9.193 9.680 1.00 52.54 C ATOM 2221 C GLN A 146 6.328 8.268 9.395 1.00 42.02 C ATOM 2222 O GLN A 146 5.429 8.129 10.227 1.00 25.04 O ATOM 2223 CB GLN A 146 7.024 10.625 9.933 1.00 32.20 C ATOM 2224 CG GLN A 146 8.105 11.590 10.416 1.00 41.14 C ATOM 2225 CD GLN A 146 8.596 11.261 11.816 1.00 43.12 C ATOM 2226 OE1 GLN A 146 9.529 10.486 11.998 1.00 72.03 O ATOM 2227 NE2 GLN A 146 7.973 11.846 12.817 1.00 14.13 N ATOM 0 H GLN A 146 8.235 9.805 7.795 1.00 44.11 H new ATOM 0 HA GLN A 146 8.038 8.816 10.566 1.00 52.54 H new ATOM 0 HB2 GLN A 146 6.590 11.014 9.012 1.00 32.20 H new ATOM 0 HB3 GLN A 146 6.224 10.593 10.673 1.00 32.20 H new ATOM 0 HG2 GLN A 146 8.947 11.564 9.724 1.00 41.14 H new ATOM 0 HG3 GLN A 146 7.712 12.607 10.402 1.00 41.14 H new ATOM 0 HE21 GLN A 146 7.200 12.486 12.633 1.00 14.13 H new ATOM 0 HE22 GLN A 146 8.263 11.660 13.777 1.00 14.13 H new ATOM 2236 N LEU A 147 6.316 7.649 8.217 1.00 73.03 N ATOM 2237 CA LEU A 147 5.221 6.759 7.813 1.00 11.35 C ATOM 2238 C LEU A 147 5.384 5.371 8.467 1.00 4.30 C ATOM 2239 O LEU A 147 6.450 4.759 8.395 1.00 62.32 O ATOM 2240 CB LEU A 147 5.194 6.643 6.271 1.00 34.41 C ATOM 2241 CG LEU A 147 3.812 6.408 5.617 1.00 41.14 C ATOM 2242 CD1 LEU A 147 3.940 6.342 4.096 1.00 52.33 C ATOM 2243 CD2 LEU A 147 3.148 5.140 6.149 1.00 63.14 C ATOM 0 H LEU A 147 7.054 7.746 7.520 1.00 73.03 H new ATOM 0 HA LEU A 147 4.273 7.177 8.152 1.00 11.35 H new ATOM 0 HB2 LEU A 147 5.617 7.557 5.853 1.00 34.41 H new ATOM 0 HB3 LEU A 147 5.852 5.824 5.980 1.00 34.41 H new ATOM 0 HG LEU A 147 3.176 7.254 5.880 1.00 41.14 H new ATOM 0 HD11 LEU A 147 2.957 6.176 3.655 1.00 52.33 H new ATOM 0 HD12 LEU A 147 4.351 7.281 3.724 1.00 52.33 H new ATOM 0 HD13 LEU A 147 4.604 5.522 3.822 1.00 52.33 H new ATOM 0 HD21 LEU A 147 2.179 5.007 5.667 1.00 63.14 H new ATOM 0 HD22 LEU A 147 3.782 4.280 5.933 1.00 63.14 H new ATOM 0 HD23 LEU A 147 3.009 5.227 7.227 1.00 63.14 H new ATOM 2255 N GLY A 148 4.319 4.882 9.101 1.00 62.11 N ATOM 2256 CA GLY A 148 4.372 3.600 9.794 1.00 4.25 C ATOM 2257 C GLY A 148 3.933 2.418 8.931 1.00 3.14 C ATOM 2258 O GLY A 148 4.695 1.470 8.735 1.00 21.40 O ATOM 0 H GLY A 148 3.415 5.352 9.148 1.00 62.11 H new ATOM 0 HA2 GLY A 148 5.390 3.427 10.142 1.00 4.25 H new ATOM 0 HA3 GLY A 148 3.737 3.648 10.679 1.00 4.25 H new ATOM 2262 N PHE A 149 2.702 2.466 8.415 1.00 32.34 N ATOM 2263 CA PHE A 149 2.153 1.350 7.626 1.00 13.45 C ATOM 2264 C PHE A 149 1.213 1.835 6.508 1.00 73.45 C ATOM 2265 O PHE A 149 0.655 2.934 6.576 1.00 40.30 O ATOM 2266 CB PHE A 149 1.390 0.379 8.543 1.00 52.20 C ATOM 2267 CG PHE A 149 0.045 0.897 9.000 1.00 72.35 C ATOM 2268 CD1 PHE A 149 -0.048 1.825 10.027 1.00 13.25 C ATOM 2269 CD2 PHE A 149 -1.124 0.465 8.387 1.00 14.32 C ATOM 2270 CE1 PHE A 149 -1.277 2.305 10.437 1.00 42.42 C ATOM 2271 CE2 PHE A 149 -2.354 0.942 8.791 1.00 70.22 C ATOM 2272 CZ PHE A 149 -2.432 1.865 9.816 1.00 74.34 C ATOM 0 H PHE A 149 2.068 3.257 8.526 1.00 32.34 H new ATOM 0 HA PHE A 149 2.997 0.842 7.160 1.00 13.45 H new ATOM 0 HB2 PHE A 149 1.245 -0.564 8.017 1.00 52.20 H new ATOM 0 HB3 PHE A 149 2.003 0.165 9.419 1.00 52.20 H new ATOM 0 HD1 PHE A 149 0.851 2.176 10.512 1.00 13.25 H new ATOM 0 HD2 PHE A 149 -1.069 -0.254 7.583 1.00 14.32 H new ATOM 0 HE1 PHE A 149 -1.336 3.023 11.242 1.00 42.42 H new ATOM 0 HE2 PHE A 149 -3.255 0.594 8.307 1.00 70.22 H new ATOM 0 HZ PHE A 149 -3.393 2.242 10.132 1.00 74.34 H new ATOM 2282 N VAL A 150 1.043 0.997 5.484 1.00 34.31 N ATOM 2283 CA VAL A 150 0.084 1.250 4.398 1.00 33.21 C ATOM 2284 C VAL A 150 -0.793 0.006 4.156 1.00 21.31 C ATOM 2285 O VAL A 150 -0.365 -0.954 3.513 1.00 24.45 O ATOM 2286 CB VAL A 150 0.807 1.636 3.077 1.00 43.40 C ATOM 2287 CG1 VAL A 150 -0.199 1.943 1.964 1.00 75.42 C ATOM 2288 CG2 VAL A 150 1.756 2.821 3.291 1.00 64.10 C ATOM 0 H VAL A 150 1.563 0.125 5.381 1.00 34.31 H new ATOM 0 HA VAL A 150 -0.543 2.087 4.705 1.00 33.21 H new ATOM 0 HB VAL A 150 1.403 0.778 2.766 1.00 43.40 H new ATOM 0 HG11 VAL A 150 0.337 2.210 1.053 1.00 75.42 H new ATOM 0 HG12 VAL A 150 -0.816 1.064 1.778 1.00 75.42 H new ATOM 0 HG13 VAL A 150 -0.835 2.775 2.268 1.00 75.42 H new ATOM 0 HG21 VAL A 150 2.247 3.068 2.350 1.00 64.10 H new ATOM 0 HG22 VAL A 150 1.188 3.683 3.641 1.00 64.10 H new ATOM 0 HG23 VAL A 150 2.508 2.555 4.034 1.00 64.10 H new ATOM 2298 N ARG A 151 -2.014 0.016 4.688 1.00 11.14 N ATOM 2299 CA ARG A 151 -2.936 -1.122 4.548 1.00 65.00 C ATOM 2300 C ARG A 151 -3.888 -0.930 3.354 1.00 34.51 C ATOM 2301 O ARG A 151 -4.589 0.075 3.266 1.00 72.23 O ATOM 2302 CB ARG A 151 -3.769 -1.306 5.830 1.00 1.43 C ATOM 2303 CG ARG A 151 -4.679 -2.537 5.795 1.00 51.44 C ATOM 2304 CD ARG A 151 -5.749 -2.498 6.882 1.00 73.25 C ATOM 2305 NE ARG A 151 -5.185 -2.495 8.230 1.00 22.35 N ATOM 2306 CZ ARG A 151 -5.583 -1.701 9.189 1.00 54.34 C ATOM 2307 NH1 ARG A 151 -6.460 -0.771 8.966 1.00 15.20 N ATOM 2308 NH2 ARG A 151 -5.080 -1.829 10.370 1.00 13.14 N ATOM 0 H ARG A 151 -2.393 0.798 5.222 1.00 11.14 H new ATOM 0 HA ARG A 151 -2.328 -2.010 4.375 1.00 65.00 H new ATOM 0 HB2 ARG A 151 -3.095 -1.386 6.683 1.00 1.43 H new ATOM 0 HB3 ARG A 151 -4.379 -0.417 5.988 1.00 1.43 H new ATOM 0 HG2 ARG A 151 -5.159 -2.604 4.819 1.00 51.44 H new ATOM 0 HG3 ARG A 151 -4.075 -3.436 5.915 1.00 51.44 H new ATOM 0 HD2 ARG A 151 -6.364 -1.608 6.748 1.00 73.25 H new ATOM 0 HD3 ARG A 151 -6.406 -3.360 6.770 1.00 73.25 H new ATOM 0 HE ARG A 151 -4.434 -3.154 8.435 1.00 22.35 H new ATOM 0 HH11 ARG A 151 -6.850 -0.651 8.031 1.00 15.20 H new ATOM 0 HH12 ARG A 151 -6.760 -0.160 9.726 1.00 15.20 H new ATOM 0 HH21 ARG A 151 -4.377 -2.546 10.550 1.00 13.14 H new ATOM 0 HH22 ARG A 151 -5.385 -1.213 11.124 1.00 13.14 H new ATOM 2322 N ILE A 152 -3.923 -1.903 2.445 1.00 23.21 N ATOM 2323 CA ILE A 152 -4.803 -1.828 1.269 1.00 65.13 C ATOM 2324 C ILE A 152 -6.017 -2.765 1.412 1.00 61.22 C ATOM 2325 O ILE A 152 -5.883 -3.885 1.905 1.00 20.10 O ATOM 2326 CB ILE A 152 -4.050 -2.211 -0.028 1.00 53.23 C ATOM 2327 CG1 ILE A 152 -2.670 -1.528 -0.092 1.00 35.13 C ATOM 2328 CG2 ILE A 152 -4.894 -1.853 -1.252 1.00 51.11 C ATOM 2329 CD1 ILE A 152 -2.721 -0.014 -0.081 1.00 31.05 C ATOM 0 H ILE A 152 -3.357 -2.750 2.495 1.00 23.21 H new ATOM 0 HA ILE A 152 -5.141 -0.794 1.207 1.00 65.13 H new ATOM 0 HB ILE A 152 -3.884 -3.288 -0.023 1.00 53.23 H new ATOM 0 HG12 ILE A 152 -2.071 -1.866 0.754 1.00 35.13 H new ATOM 0 HG13 ILE A 152 -2.157 -1.856 -0.996 1.00 35.13 H new ATOM 0 HG21 ILE A 152 -4.354 -2.127 -2.159 1.00 51.11 H new ATOM 0 HG22 ILE A 152 -5.839 -2.396 -1.214 1.00 51.11 H new ATOM 0 HG23 ILE A 152 -5.091 -0.781 -1.257 1.00 51.11 H new ATOM 0 HD11 ILE A 152 -1.708 0.385 -0.129 1.00 31.05 H new ATOM 0 HD12 ILE A 152 -3.290 0.337 -0.942 1.00 31.05 H new ATOM 0 HD13 ILE A 152 -3.202 0.327 0.835 1.00 31.05 H new ATOM 2341 N HIS A 153 -7.198 -2.303 0.978 1.00 63.43 N ATOM 2342 CA HIS A 153 -8.409 -3.144 0.976 1.00 51.11 C ATOM 2343 C HIS A 153 -9.564 -2.492 0.187 1.00 53.43 C ATOM 2344 O HIS A 153 -9.455 -1.347 -0.260 1.00 50.53 O ATOM 2345 CB HIS A 153 -8.859 -3.452 2.413 1.00 3.42 C ATOM 2346 CG HIS A 153 -9.252 -2.245 3.212 1.00 53.13 C ATOM 2347 ND1 HIS A 153 -10.546 -1.991 3.596 1.00 73.12 N ATOM 2348 CD2 HIS A 153 -8.512 -1.233 3.722 1.00 43.44 C ATOM 2349 CE1 HIS A 153 -10.590 -0.885 4.305 1.00 73.31 C ATOM 2350 NE2 HIS A 153 -9.371 -0.402 4.400 1.00 53.50 N ATOM 0 H HIS A 153 -7.343 -1.357 0.625 1.00 63.43 H new ATOM 0 HA HIS A 153 -8.150 -4.077 0.476 1.00 51.11 H new ATOM 0 HB2 HIS A 153 -9.704 -4.139 2.377 1.00 3.42 H new ATOM 0 HB3 HIS A 153 -8.051 -3.968 2.931 1.00 3.42 H new ATOM 0 HD1 HIS A 153 -11.351 -2.573 3.366 1.00 73.12 H new ATOM 0 HD2 HIS A 153 -7.445 -1.103 3.616 1.00 43.44 H new ATOM 0 HE1 HIS A 153 -11.478 -0.447 4.737 1.00 73.31 H new ATOM 2359 N ASP A 154 -10.664 -3.241 0.023 1.00 22.42 N ATOM 2360 CA ASP A 154 -11.859 -2.761 -0.697 1.00 72.12 C ATOM 2361 C ASP A 154 -11.560 -2.394 -2.162 1.00 54.24 C ATOM 2362 O ASP A 154 -12.090 -1.414 -2.693 1.00 44.33 O ATOM 2363 CB ASP A 154 -12.502 -1.576 0.048 1.00 13.54 C ATOM 2364 CG ASP A 154 -13.356 -2.032 1.222 1.00 42.41 C ATOM 2365 OD1 ASP A 154 -12.796 -2.577 2.196 1.00 2.33 O ATOM 2366 OD2 ASP A 154 -14.595 -1.873 1.161 1.00 22.31 O ATOM 0 H ASP A 154 -10.753 -4.191 0.382 1.00 22.42 H new ATOM 0 HA ASP A 154 -12.569 -3.587 -0.721 1.00 72.12 H new ATOM 0 HB2 ASP A 154 -11.720 -0.907 0.408 1.00 13.54 H new ATOM 0 HB3 ASP A 154 -13.117 -1.003 -0.646 1.00 13.54 H new ATOM 2371 N ILE A 155 -10.741 -3.210 -2.819 1.00 31.54 N ATOM 2372 CA ILE A 155 -10.445 -3.031 -4.244 1.00 75.42 C ATOM 2373 C ILE A 155 -11.658 -3.455 -5.098 1.00 70.14 C ATOM 2374 O ILE A 155 -11.934 -4.646 -5.264 1.00 5.24 O ATOM 2375 CB ILE A 155 -9.193 -3.845 -4.654 1.00 2.23 C ATOM 2376 CG1 ILE A 155 -7.990 -3.473 -3.768 1.00 34.25 C ATOM 2377 CG2 ILE A 155 -8.857 -3.626 -6.128 1.00 33.21 C ATOM 2378 CD1 ILE A 155 -7.545 -2.030 -3.903 1.00 54.10 C ATOM 0 H ILE A 155 -10.268 -4.005 -2.389 1.00 31.54 H new ATOM 0 HA ILE A 155 -10.239 -1.975 -4.420 1.00 75.42 H new ATOM 0 HB ILE A 155 -9.417 -4.902 -4.509 1.00 2.23 H new ATOM 0 HG12 ILE A 155 -8.246 -3.667 -2.726 1.00 34.25 H new ATOM 0 HG13 ILE A 155 -7.153 -4.125 -4.018 1.00 34.25 H new ATOM 0 HG21 ILE A 155 -7.974 -4.209 -6.390 1.00 33.21 H new ATOM 0 HG22 ILE A 155 -9.698 -3.944 -6.744 1.00 33.21 H new ATOM 0 HG23 ILE A 155 -8.659 -2.568 -6.303 1.00 33.21 H new ATOM 0 HD11 ILE A 155 -6.694 -1.849 -3.247 1.00 54.10 H new ATOM 0 HD12 ILE A 155 -7.256 -1.834 -4.935 1.00 54.10 H new ATOM 0 HD13 ILE A 155 -8.365 -1.369 -3.624 1.00 54.10 H new ATOM 2390 N GLN A 156 -12.385 -2.469 -5.620 1.00 11.21 N ATOM 2391 CA GLN A 156 -13.665 -2.707 -6.309 1.00 64.24 C ATOM 2392 C GLN A 156 -13.664 -2.136 -7.740 1.00 74.43 C ATOM 2393 O GLN A 156 -13.053 -1.103 -7.998 1.00 44.13 O ATOM 2394 CB GLN A 156 -14.796 -2.075 -5.486 1.00 44.44 C ATOM 2395 CG GLN A 156 -14.614 -0.577 -5.241 1.00 20.24 C ATOM 2396 CD GLN A 156 -15.420 -0.068 -4.057 1.00 34.34 C ATOM 2397 OE1 GLN A 156 -16.571 0.348 -4.192 1.00 23.30 O ATOM 2398 NE2 GLN A 156 -14.821 -0.104 -2.882 1.00 44.43 N ATOM 0 H GLN A 156 -12.112 -1.487 -5.581 1.00 11.21 H new ATOM 0 HA GLN A 156 -13.816 -3.783 -6.395 1.00 64.24 H new ATOM 0 HB2 GLN A 156 -15.743 -2.238 -6.001 1.00 44.44 H new ATOM 0 HB3 GLN A 156 -14.864 -2.586 -4.525 1.00 44.44 H new ATOM 0 HG2 GLN A 156 -13.558 -0.368 -5.072 1.00 20.24 H new ATOM 0 HG3 GLN A 156 -14.908 -0.029 -6.136 1.00 20.24 H new ATOM 0 HE21 GLN A 156 -13.866 -0.455 -2.807 1.00 44.43 H new ATOM 0 HE22 GLN A 156 -15.313 0.219 -2.049 1.00 44.43 H new ATOM 2407 N PRO A 157 -14.363 -2.798 -8.689 1.00 62.10 N ATOM 2408 CA PRO A 157 -14.421 -2.342 -10.091 1.00 3.23 C ATOM 2409 C PRO A 157 -15.270 -1.073 -10.275 1.00 73.21 C ATOM 2410 O PRO A 157 -16.315 -0.916 -9.642 1.00 12.50 O ATOM 2411 CB PRO A 157 -15.069 -3.528 -10.819 1.00 65.24 C ATOM 2412 CG PRO A 157 -15.899 -4.202 -9.775 1.00 61.44 C ATOM 2413 CD PRO A 157 -15.149 -4.032 -8.476 1.00 50.10 C ATOM 0 HA PRO A 157 -13.434 -2.071 -10.467 1.00 3.23 H new ATOM 0 HB2 PRO A 157 -15.681 -3.193 -11.657 1.00 65.24 H new ATOM 0 HB3 PRO A 157 -14.316 -4.204 -11.224 1.00 65.24 H new ATOM 0 HG2 PRO A 157 -16.891 -3.754 -9.715 1.00 61.44 H new ATOM 0 HG3 PRO A 157 -16.040 -5.257 -10.009 1.00 61.44 H new ATOM 0 HD2 PRO A 157 -15.829 -3.933 -7.630 1.00 50.10 H new ATOM 0 HD3 PRO A 157 -14.505 -4.887 -8.270 1.00 50.10 H new ATOM 2421 N VAL A 158 -14.824 -0.170 -11.147 1.00 42.10 N ATOM 2422 CA VAL A 158 -15.592 1.043 -11.454 1.00 40.42 C ATOM 2423 C VAL A 158 -16.451 0.840 -12.715 1.00 73.51 C ATOM 2424 O VAL A 158 -16.191 -0.068 -13.508 1.00 4.12 O ATOM 2425 CB VAL A 158 -14.670 2.275 -11.638 1.00 41.22 C ATOM 2426 CG1 VAL A 158 -13.798 2.484 -10.400 1.00 72.11 C ATOM 2427 CG2 VAL A 158 -13.812 2.135 -12.893 1.00 51.42 C ATOM 0 H VAL A 158 -13.942 -0.251 -11.652 1.00 42.10 H new ATOM 0 HA VAL A 158 -16.246 1.233 -10.603 1.00 40.42 H new ATOM 0 HB VAL A 158 -15.301 3.155 -11.763 1.00 41.22 H new ATOM 0 HG11 VAL A 158 -13.158 3.354 -10.549 1.00 72.11 H new ATOM 0 HG12 VAL A 158 -14.434 2.646 -9.530 1.00 72.11 H new ATOM 0 HG13 VAL A 158 -13.179 1.601 -10.238 1.00 72.11 H new ATOM 0 HG21 VAL A 158 -13.175 3.013 -12.998 1.00 51.42 H new ATOM 0 HG22 VAL A 158 -13.191 1.243 -12.811 1.00 51.42 H new ATOM 0 HG23 VAL A 158 -14.457 2.049 -13.767 1.00 51.42 H new