USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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 69 ASN : amide:sc= -8.26! C(o=-28!,f=-36!) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -19.5! C(o=-28!,f=-38!) USER MOD Set 2.1: A 27 ASN : amide:sc= -12.3! C(o=-14!,f=-28!) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= -1.58! USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0.0133 (180deg=0.00629) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00436 X(o=-0.0044,f=-0.023) USER MOD Single : A 16 GLN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.32! K(o=-2.3!,f=-0.83) USER MOD Single : A 24 SER OG : rot -178:sc= 0.98 USER MOD Single : A 29 GLN : amide:sc= -4.92! C(o=-4.9!,f=-9.3!) USER MOD Single : A 34 THR OG1 : rot 4:sc= 0.451 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.321 USER MOD Single : A 42 HIS : no HD1:sc= -0.91 K(o=-0.91,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.53! C(o=-4.5!,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc=-0.00268 X(o=-0.0027,f=-0.098) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 155:sc= -5.9! (180deg=-9.12!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 95 THR OG1 : rot -119:sc= -3.59! USER MOD Single : A 97 GLN : amide:sc= -2.82! X(o=-2.8!,f=-2.5) USER MOD Single : A 99 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.99) USER MOD Single : A 100 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.28) USER MOD Single : A 104 HIS : no HE2:sc= -7.39! C(o=-7.4!,f=-6.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.292 -8.190 -7.245 1.00 0.00 N ATOM 49 CA TYR A 7 -8.660 -6.890 -7.396 1.00 0.00 C ATOM 50 C TYR A 7 -8.281 -6.303 -6.035 1.00 0.00 C ATOM 51 O TYR A 7 -7.201 -5.736 -5.877 1.00 0.00 O ATOM 52 CB TYR A 7 -9.705 -5.988 -8.055 1.00 0.00 C ATOM 53 CG TYR A 7 -9.844 -6.196 -9.564 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.739 -6.080 -10.382 1.00 0.00 C ATOM 55 CD2 TYR A 7 -11.076 -6.500 -10.108 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.870 -6.276 -11.802 1.00 0.00 C ATOM 57 CE2 TYR A 7 -11.207 -6.696 -11.528 1.00 0.00 C ATOM 58 CZ TYR A 7 -10.098 -6.574 -12.306 1.00 0.00 C ATOM 0 HA TYR A 7 -7.747 -6.973 -7.986 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.672 -6.165 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.443 -4.947 -7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.775 -5.842 -9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.941 -6.591 -9.468 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.013 -6.188 -12.453 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.165 -6.935 -11.966 1.00 0.00 H new ATOM 59 N ARG A 8 -9.192 -6.459 -5.085 1.00 0.00 N ATOM 60 CA ARG A 8 -8.968 -5.951 -3.742 1.00 0.00 C ATOM 61 C ARG A 8 -8.080 -6.914 -2.952 1.00 0.00 C ATOM 62 O ARG A 8 -8.092 -8.119 -3.200 1.00 0.00 O ATOM 63 CB ARG A 8 -10.291 -5.759 -2.998 1.00 0.00 C ATOM 64 CG ARG A 8 -10.493 -4.293 -2.608 1.00 0.00 C ATOM 65 CD ARG A 8 -11.688 -3.689 -3.346 1.00 0.00 C ATOM 66 NE ARG A 8 -11.447 -2.253 -3.612 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.476 -1.791 -4.411 1.00 0.00 C ATOM 0 H ARG A 8 -10.087 -6.930 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.472 -4.985 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.118 -6.089 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.303 -6.382 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.650 -4.218 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.593 -3.724 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.851 -4.219 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.593 -3.810 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.058 -1.573 -3.159 1.00 0.00 H new ATOM 68 N ILE A 9 -7.333 -6.348 -2.017 1.00 0.00 N ATOM 69 CA ILE A 9 -6.441 -7.142 -1.188 1.00 0.00 C ATOM 70 C ILE A 9 -7.262 -8.161 -0.395 1.00 0.00 C ATOM 71 O ILE A 9 -7.895 -7.813 0.601 1.00 0.00 O ATOM 72 CB ILE A 9 -5.574 -6.235 -0.313 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.677 -5.340 -1.170 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.768 -7.055 0.697 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.519 -6.139 -1.772 1.00 0.00 C ATOM 0 H ILE A 9 -7.326 -5.348 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.745 -7.707 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.233 -5.579 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.265 -4.888 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.284 -4.525 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.160 -6.386 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.449 -7.613 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.119 -7.751 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.897 -5.479 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.919 -6.570 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.915 -6.938 -2.398 1.00 0.00 H new ATOM 76 N LYS A 10 -7.223 -9.398 -0.866 1.00 0.00 N ATOM 77 CA LYS A 10 -7.955 -10.471 -0.213 1.00 0.00 C ATOM 78 C LYS A 10 -7.857 -10.299 1.305 1.00 0.00 C ATOM 79 O LYS A 10 -8.854 -10.426 2.013 1.00 0.00 O ATOM 80 CB LYS A 10 -7.467 -11.833 -0.710 1.00 0.00 C ATOM 81 CG LYS A 10 -8.268 -12.969 -0.071 1.00 0.00 C ATOM 82 CD LYS A 10 -9.623 -13.141 -0.760 1.00 0.00 C ATOM 83 CE LYS A 10 -10.752 -13.246 0.268 1.00 0.00 C ATOM 84 NZ LYS A 10 -11.405 -11.932 0.458 1.00 0.00 N ATOM 0 H LYS A 10 -6.696 -9.682 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.013 -10.423 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.560 -11.883 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.409 -11.952 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.703 -13.899 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.419 -12.761 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.808 -12.296 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.608 -14.036 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.487 -13.979 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.354 -13.602 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.278 -12.055 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.760 -11.294 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.636 -11.522 -0.469 1.00 0.00 H new ATOM 85 N LYS A 11 -6.645 -10.013 1.758 1.00 0.00 N ATOM 86 CA LYS A 11 -6.405 -9.822 3.178 1.00 0.00 C ATOM 87 C LYS A 11 -5.079 -9.082 3.372 1.00 0.00 C ATOM 88 O LYS A 11 -4.230 -9.079 2.480 1.00 0.00 O ATOM 89 CB LYS A 11 -6.476 -11.159 3.918 1.00 0.00 C ATOM 90 CG LYS A 11 -6.929 -10.961 5.366 1.00 0.00 C ATOM 91 CD LYS A 11 -8.299 -11.601 5.605 1.00 0.00 C ATOM 92 CE LYS A 11 -8.824 -11.265 7.002 1.00 0.00 C ATOM 93 NZ LYS A 11 -10.253 -11.632 7.119 1.00 0.00 N ATOM 0 H LYS A 11 -5.820 -9.909 1.167 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.185 -9.200 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.168 -11.826 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.498 -11.640 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.196 -11.399 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.977 -9.896 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.005 -11.249 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.224 -12.682 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.242 -11.798 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.698 -10.200 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.595 -11.398 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.806 -11.104 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.364 -12.653 6.952 1.00 0.00 H new ATOM 94 N ASN A 12 -4.942 -8.474 4.540 1.00 0.00 N ATOM 95 CA ASN A 12 -3.734 -7.733 4.861 1.00 0.00 C ATOM 96 C ASN A 12 -2.511 -8.562 4.465 1.00 0.00 C ATOM 97 O ASN A 12 -1.538 -8.026 3.938 1.00 0.00 O ATOM 98 CB ASN A 12 -3.645 -7.448 6.362 1.00 0.00 C ATOM 99 CG ASN A 12 -2.893 -6.143 6.629 1.00 0.00 C ATOM 100 OD1 ASN A 12 -1.716 -6.005 6.338 1.00 0.00 O ATOM 101 ND2 ASN A 12 -3.636 -5.197 7.197 1.00 0.00 N ATOM 0 H ASN A 12 -5.648 -8.479 5.277 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.763 -6.790 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.648 -7.387 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.138 -8.273 6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.226 -4.289 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.616 -5.380 7.414 1.00 0.00 H new ATOM 102 N ALA A 13 -2.602 -9.857 4.732 1.00 0.00 N ATOM 103 CA ALA A 13 -1.515 -10.765 4.408 1.00 0.00 C ATOM 104 C ALA A 13 -0.932 -10.392 3.045 1.00 0.00 C ATOM 105 O ALA A 13 0.219 -9.966 2.954 1.00 0.00 O ATOM 106 CB ALA A 13 -2.026 -12.207 4.449 1.00 0.00 C ATOM 0 H ALA A 13 -3.411 -10.298 5.169 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.714 -10.681 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.211 -12.889 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.402 -12.432 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.830 -12.329 3.723 1.00 0.00 H new ATOM 107 N ASP A 14 -1.752 -10.562 2.018 1.00 0.00 N ATOM 108 CA ASP A 14 -1.331 -10.248 0.664 1.00 0.00 C ATOM 109 C ASP A 14 -0.513 -8.956 0.675 1.00 0.00 C ATOM 110 O ASP A 14 0.461 -8.827 -0.064 1.00 0.00 O ATOM 111 CB ASP A 14 -2.538 -10.036 -0.252 1.00 0.00 C ATOM 112 CG ASP A 14 -3.727 -10.959 0.020 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.474 -12.166 0.221 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.863 -10.436 0.021 1.00 0.00 O ATOM 0 H ASP A 14 -2.706 -10.913 2.097 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.738 -11.084 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.871 -9.002 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.219 -10.174 -1.285 1.00 0.00 H new ATOM 115 N PHE A 15 -0.938 -8.031 1.524 1.00 0.00 N ATOM 116 CA PHE A 15 -0.256 -6.754 1.642 1.00 0.00 C ATOM 117 C PHE A 15 1.014 -6.885 2.485 1.00 0.00 C ATOM 118 O PHE A 15 2.048 -6.310 2.149 1.00 0.00 O ATOM 119 CB PHE A 15 -1.222 -5.794 2.341 1.00 0.00 C ATOM 120 CG PHE A 15 -1.427 -4.470 1.604 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.385 -3.610 1.449 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.650 -4.153 1.102 1.00 0.00 C ATOM 123 CE1 PHE A 15 -0.576 -2.380 0.765 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.841 -2.924 0.417 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.799 -2.063 0.264 1.00 0.00 C ATOM 0 H PHE A 15 -1.746 -8.141 2.136 1.00 0.00 H new ATOM 0 HA PHE A 15 0.032 -6.394 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.187 -6.287 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.849 -5.586 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.587 -3.862 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.477 -4.837 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.251 -1.696 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.813 -2.673 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.944 -1.127 -0.256 1.00 0.00 H new ATOM 126 N GLN A 16 0.894 -7.645 3.564 1.00 0.00 N ATOM 127 CA GLN A 16 2.019 -7.860 4.457 1.00 0.00 C ATOM 128 C GLN A 16 3.111 -8.664 3.751 1.00 0.00 C ATOM 129 O GLN A 16 4.292 -8.336 3.852 1.00 0.00 O ATOM 130 CB GLN A 16 1.571 -8.554 5.745 1.00 0.00 C ATOM 131 CG GLN A 16 1.791 -10.066 5.657 1.00 0.00 C ATOM 132 CD GLN A 16 1.304 -10.765 6.927 1.00 0.00 C ATOM 133 OE1 GLN A 16 1.148 -10.164 7.978 1.00 0.00 O ATOM 134 NE2 GLN A 16 1.074 -12.066 6.775 1.00 0.00 N ATOM 0 H GLN A 16 0.034 -8.119 3.840 1.00 0.00 H new ATOM 0 HA GLN A 16 2.431 -6.889 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.126 -8.151 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.517 -8.346 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.261 -10.465 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.850 -10.275 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.225 -12.508 5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.747 -12.622 7.565 1.00 0.00 H new ATOM 135 N ARG A 17 2.678 -9.703 3.052 1.00 0.00 N ATOM 136 CA ARG A 17 3.605 -10.557 2.328 1.00 0.00 C ATOM 137 C ARG A 17 4.531 -9.713 1.451 1.00 0.00 C ATOM 138 O ARG A 17 5.633 -10.141 1.112 1.00 0.00 O ATOM 139 CB ARG A 17 2.857 -11.562 1.449 1.00 0.00 C ATOM 140 CG ARG A 17 2.562 -12.850 2.220 1.00 0.00 C ATOM 141 CD ARG A 17 1.056 -13.109 2.296 1.00 0.00 C ATOM 142 NE ARG A 17 0.789 -14.309 3.120 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.348 -15.016 3.073 1.00 0.00 C ATOM 0 H ARG A 17 1.698 -9.973 2.971 1.00 0.00 H new ATOM 0 HA ARG A 17 4.195 -11.104 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.923 -11.121 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.452 -11.791 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.055 -13.691 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.974 -12.778 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.551 -12.244 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.652 -13.249 1.293 1.00 0.00 H new ATOM 0 HE ARG A 17 1.517 -14.617 3.765 1.00 0.00 H new ATOM 144 N ILE A 18 4.050 -8.527 1.108 1.00 0.00 N ATOM 145 CA ILE A 18 4.821 -7.618 0.276 1.00 0.00 C ATOM 146 C ILE A 18 5.771 -6.808 1.160 1.00 0.00 C ATOM 147 O ILE A 18 6.966 -6.722 0.877 1.00 0.00 O ATOM 148 CB ILE A 18 3.891 -6.757 -0.580 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.517 -7.412 -0.729 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.528 -6.444 -1.936 1.00 0.00 C ATOM 151 CD1 ILE A 18 1.799 -6.904 -1.980 1.00 0.00 C ATOM 0 H ILE A 18 3.136 -8.174 1.391 1.00 0.00 H new ATOM 0 HA ILE A 18 5.438 -8.175 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 18 3.739 -5.807 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.631 -8.495 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.912 -7.200 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.846 -5.831 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.462 -5.904 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.730 -7.374 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.825 -7.386 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.665 -5.825 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.395 -7.139 -2.862 1.00 0.00 H new ATOM 152 N TYR A 19 5.206 -6.234 2.210 1.00 0.00 N ATOM 153 CA TYR A 19 5.988 -5.432 3.137 1.00 0.00 C ATOM 154 C TYR A 19 7.032 -6.289 3.857 1.00 0.00 C ATOM 155 O TYR A 19 7.941 -5.761 4.495 1.00 0.00 O ATOM 156 CB TYR A 19 4.995 -4.887 4.166 1.00 0.00 C ATOM 157 CG TYR A 19 4.339 -3.567 3.757 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.116 -2.446 3.546 1.00 0.00 C ATOM 159 CD2 TYR A 19 2.969 -3.496 3.600 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.497 -1.203 3.162 1.00 0.00 C ATOM 161 CE2 TYR A 19 2.352 -2.254 3.216 1.00 0.00 C ATOM 162 CZ TYR A 19 3.145 -1.169 3.016 1.00 0.00 C ATOM 0 H TYR A 19 4.215 -6.308 2.441 1.00 0.00 H new ATOM 0 HA TYR A 19 6.517 -4.640 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.217 -5.631 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.512 -4.746 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.188 -2.501 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.360 -4.373 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.093 -0.318 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.282 -2.186 3.089 1.00 0.00 H new ATOM 163 N LYS A 20 6.865 -7.597 3.730 1.00 0.00 N ATOM 164 CA LYS A 20 7.781 -8.532 4.361 1.00 0.00 C ATOM 165 C LYS A 20 9.082 -8.587 3.557 1.00 0.00 C ATOM 166 O LYS A 20 10.080 -7.982 3.943 1.00 0.00 O ATOM 167 CB LYS A 20 7.112 -9.897 4.543 1.00 0.00 C ATOM 168 CG LYS A 20 7.828 -10.719 5.617 1.00 0.00 C ATOM 169 CD LYS A 20 6.972 -10.835 6.880 1.00 0.00 C ATOM 170 CE LYS A 20 6.597 -12.292 7.156 1.00 0.00 C ATOM 171 NZ LYS A 20 7.345 -12.808 8.325 1.00 0.00 N ATOM 0 H LYS A 20 6.110 -8.031 3.200 1.00 0.00 H new ATOM 0 HA LYS A 20 8.040 -8.193 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.067 -9.760 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.122 -10.440 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.050 -11.714 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.782 -10.252 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.517 -10.428 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.067 -10.238 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.525 -12.369 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.815 -12.902 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.078 -13.798 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.366 -12.752 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.117 -12.236 9.163 1.00 0.00 H new ATOM 172 N LYS A 21 9.026 -9.318 2.453 1.00 0.00 N ATOM 173 CA LYS A 21 10.188 -9.460 1.591 1.00 0.00 C ATOM 174 C LYS A 21 9.798 -9.101 0.156 1.00 0.00 C ATOM 175 O LYS A 21 10.560 -9.349 -0.778 1.00 0.00 O ATOM 176 CB LYS A 21 10.793 -10.857 1.733 1.00 0.00 C ATOM 177 CG LYS A 21 12.270 -10.779 2.124 1.00 0.00 C ATOM 178 CD LYS A 21 13.082 -11.873 1.427 1.00 0.00 C ATOM 179 CE LYS A 21 14.444 -12.058 2.099 1.00 0.00 C ATOM 180 NZ LYS A 21 15.353 -10.945 1.743 1.00 0.00 N ATOM 0 H LYS A 21 8.195 -9.818 2.136 1.00 0.00 H new ATOM 0 HA LYS A 21 10.973 -8.767 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.243 -11.420 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.690 -11.399 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.669 -9.800 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.369 -10.881 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.530 -12.812 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.223 -11.614 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.319 -12.102 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.883 -13.007 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.273 -11.086 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.486 -10.921 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.940 -10.045 2.060 1.00 0.00 H new ATOM 181 N GLY A 22 8.613 -8.525 0.024 1.00 0.00 N ATOM 182 CA GLY A 22 8.113 -8.130 -1.282 1.00 0.00 C ATOM 183 C GLY A 22 9.155 -7.306 -2.041 1.00 0.00 C ATOM 184 O GLY A 22 10.143 -6.858 -1.459 1.00 0.00 O ATOM 0 H GLY A 22 7.984 -8.322 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.854 -9.017 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.199 -7.548 -1.165 1.00 0.00 H new ATOM 185 N HIS A 23 8.900 -7.131 -3.330 1.00 0.00 N ATOM 186 CA HIS A 23 9.804 -6.369 -4.175 1.00 0.00 C ATOM 187 C HIS A 23 9.044 -5.212 -4.825 1.00 0.00 C ATOM 188 O HIS A 23 8.244 -5.424 -5.736 1.00 0.00 O ATOM 189 CB HIS A 23 10.488 -7.279 -5.196 1.00 0.00 C ATOM 190 CG HIS A 23 11.258 -6.535 -6.263 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.594 -6.777 -6.528 1.00 0.00 N ATOM 192 CD2 HIS A 23 10.864 -5.555 -7.126 1.00 0.00 C ATOM 193 CE1 HIS A 23 12.977 -5.972 -7.509 1.00 0.00 C ATOM 194 NE2 HIS A 23 11.904 -5.216 -7.877 1.00 0.00 N ATOM 0 H HIS A 23 8.080 -7.504 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 23 10.601 -5.939 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.169 -7.949 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.733 -7.903 -5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.184 -7.458 -6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.874 -5.128 -7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.966 -5.924 -7.941 1.00 0.00 H new ATOM 195 N SER A 24 9.321 -4.013 -4.334 1.00 0.00 N ATOM 196 CA SER A 24 8.675 -2.822 -4.857 1.00 0.00 C ATOM 197 C SER A 24 9.655 -2.033 -5.727 1.00 0.00 C ATOM 198 O SER A 24 10.861 -2.264 -5.675 1.00 0.00 O ATOM 199 CB SER A 24 8.144 -1.941 -3.724 1.00 0.00 C ATOM 200 OG SER A 24 9.189 -1.231 -3.066 1.00 0.00 O ATOM 0 H SER A 24 9.985 -3.841 -3.579 1.00 0.00 H new ATOM 0 HA SER A 24 7.827 -3.134 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.420 -1.231 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.615 -2.561 -3.000 1.00 0.00 H new ATOM 0 HG SER A 24 8.813 -0.699 -2.334 1.00 0.00 H new ATOM 201 N VAL A 25 9.099 -1.118 -6.508 1.00 0.00 N ATOM 202 CA VAL A 25 9.909 -0.294 -7.389 1.00 0.00 C ATOM 203 C VAL A 25 9.402 1.149 -7.339 1.00 0.00 C ATOM 204 O VAL A 25 8.210 1.399 -7.516 1.00 0.00 O ATOM 205 CB VAL A 25 9.907 -0.879 -8.802 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.623 -2.231 -8.836 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.482 -1.000 -9.344 1.00 0.00 C ATOM 0 H VAL A 25 8.097 -0.929 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 25 10.947 -0.286 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 25 10.454 -0.193 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.608 -2.625 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.656 -2.104 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.116 -2.928 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.510 -1.419 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.900 -1.654 -8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.019 -0.014 -9.374 1.00 0.00 H new ATOM 208 N ALA A 26 10.332 2.061 -7.098 1.00 0.00 N ATOM 209 CA ALA A 26 9.994 3.472 -7.023 1.00 0.00 C ATOM 210 C ALA A 26 10.664 4.215 -8.181 1.00 0.00 C ATOM 211 O ALA A 26 11.858 4.044 -8.426 1.00 0.00 O ATOM 212 CB ALA A 26 10.410 4.025 -5.657 1.00 0.00 C ATOM 0 H ALA A 26 11.319 1.850 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 26 8.918 3.614 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.157 5.084 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.885 3.484 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.485 3.902 -5.527 1.00 0.00 H new ATOM 213 N ASN A 27 9.867 5.023 -8.863 1.00 0.00 N ATOM 214 CA ASN A 27 10.368 5.793 -9.989 1.00 0.00 C ATOM 215 C ASN A 27 10.992 7.093 -9.477 1.00 0.00 C ATOM 216 O ASN A 27 12.185 7.139 -9.182 1.00 0.00 O ATOM 217 CB ASN A 27 9.236 6.159 -10.953 1.00 0.00 C ATOM 218 CG ASN A 27 7.993 6.616 -10.189 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.008 6.810 -8.984 1.00 0.00 O ATOM 220 ND2 ASN A 27 6.918 6.780 -10.954 1.00 0.00 N ATOM 0 H ASN A 27 8.877 5.162 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 27 11.105 5.184 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.567 6.952 -11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.990 5.298 -11.574 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.038 7.085 -10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.973 6.600 -11.957 1.00 0.00 H new ATOM 221 N ARG A 28 10.156 8.117 -9.386 1.00 0.00 N ATOM 222 CA ARG A 28 10.611 9.414 -8.914 1.00 0.00 C ATOM 223 C ARG A 28 9.917 9.773 -7.599 1.00 0.00 C ATOM 224 O ARG A 28 10.564 10.222 -6.654 1.00 0.00 O ATOM 225 CB ARG A 28 10.327 10.507 -9.947 1.00 0.00 C ATOM 226 CG ARG A 28 11.145 10.282 -11.221 1.00 0.00 C ATOM 227 CD ARG A 28 12.645 10.362 -10.930 1.00 0.00 C ATOM 228 NE ARG A 28 13.307 9.102 -11.336 1.00 0.00 N ATOM 229 CZ ARG A 28 13.542 8.753 -12.608 1.00 0.00 C ATOM 0 H ARG A 28 9.167 8.075 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 28 11.688 9.350 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.264 10.516 -10.189 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.566 11.483 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.904 9.307 -11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.875 11.029 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.084 11.203 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.809 10.543 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 28 13.603 8.459 -10.601 1.00 0.00 H new ATOM 230 N GLN A 29 8.609 9.562 -7.579 1.00 0.00 N ATOM 231 CA GLN A 29 7.820 9.858 -6.396 1.00 0.00 C ATOM 232 C GLN A 29 6.689 8.839 -6.242 1.00 0.00 C ATOM 233 O GLN A 29 5.757 9.052 -5.469 1.00 0.00 O ATOM 234 CB GLN A 29 7.271 11.285 -6.445 1.00 0.00 C ATOM 235 CG GLN A 29 8.318 12.258 -6.990 1.00 0.00 C ATOM 236 CD GLN A 29 7.673 13.577 -7.416 1.00 0.00 C ATOM 237 OE1 GLN A 29 7.952 14.637 -6.879 1.00 0.00 O ATOM 238 NE2 GLN A 29 6.795 13.455 -8.408 1.00 0.00 N ATOM 0 H GLN A 29 8.076 9.189 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 29 8.469 9.784 -5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.381 11.314 -7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.966 11.596 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.074 12.448 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.829 11.808 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.608 12.538 -8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.309 14.279 -8.763 1.00 0.00 H new ATOM 239 N PHE A 30 6.808 7.754 -6.993 1.00 0.00 N ATOM 240 CA PHE A 30 5.806 6.702 -6.951 1.00 0.00 C ATOM 241 C PHE A 30 6.463 5.323 -6.856 1.00 0.00 C ATOM 242 O PHE A 30 7.415 5.034 -7.580 1.00 0.00 O ATOM 243 CB PHE A 30 5.013 6.787 -8.258 1.00 0.00 C ATOM 244 CG PHE A 30 3.516 6.520 -8.094 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.088 5.513 -7.285 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.611 7.288 -8.758 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.699 5.265 -7.134 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.222 7.040 -8.606 1.00 0.00 C ATOM 249 CZ PHE A 30 0.795 6.033 -7.798 1.00 0.00 C ATOM 0 H PHE A 30 7.582 7.581 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 30 5.167 6.832 -6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.150 7.778 -8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.424 6.070 -8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.806 4.902 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.950 8.087 -9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.360 4.466 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.504 7.651 -9.132 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.262 5.843 -7.684 1.00 0.00 H new ATOM 250 N VAL A 31 5.929 4.510 -5.958 1.00 0.00 N ATOM 251 CA VAL A 31 6.451 3.168 -5.759 1.00 0.00 C ATOM 252 C VAL A 31 5.325 2.152 -5.962 1.00 0.00 C ATOM 253 O VAL A 31 4.163 2.446 -5.688 1.00 0.00 O ATOM 254 CB VAL A 31 7.111 3.062 -4.383 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.682 4.412 -3.943 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.128 2.519 -3.343 1.00 0.00 C ATOM 0 H VAL A 31 5.140 4.754 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 31 7.225 2.946 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 31 7.939 2.357 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.145 4.309 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.429 4.743 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.879 5.147 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.623 2.454 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.271 3.188 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.789 1.528 -3.645 1.00 0.00 H new ATOM 257 N VAL A 32 5.710 0.978 -6.439 1.00 0.00 N ATOM 258 CA VAL A 32 4.748 -0.084 -6.682 1.00 0.00 C ATOM 259 C VAL A 32 5.276 -1.391 -6.089 1.00 0.00 C ATOM 260 O VAL A 32 6.197 -1.997 -6.634 1.00 0.00 O ATOM 261 CB VAL A 32 4.447 -0.185 -8.180 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.622 1.012 -8.655 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.738 -0.319 -8.990 1.00 0.00 C ATOM 0 H VAL A 32 6.676 0.738 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 32 3.802 0.138 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 32 3.854 -1.085 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.422 0.916 -9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.678 1.043 -8.110 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.177 1.932 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.496 -0.389 -10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.368 0.554 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.271 -1.218 -8.679 1.00 0.00 H new ATOM 264 N TYR A 33 4.671 -1.787 -4.978 1.00 0.00 N ATOM 265 CA TYR A 33 5.069 -3.011 -4.304 1.00 0.00 C ATOM 266 C TYR A 33 4.454 -4.235 -4.984 1.00 0.00 C ATOM 267 O TYR A 33 3.235 -4.331 -5.117 1.00 0.00 O ATOM 268 CB TYR A 33 4.521 -2.905 -2.880 1.00 0.00 C ATOM 269 CG TYR A 33 5.442 -2.159 -1.912 1.00 0.00 C ATOM 270 CD1 TYR A 33 5.986 -0.944 -2.276 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.727 -2.701 -0.676 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.854 -0.242 -1.366 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.594 -1.998 0.235 1.00 0.00 C ATOM 274 CZ TYR A 33 7.115 -0.804 -0.155 1.00 0.00 C ATOM 0 H TYR A 33 3.908 -1.281 -4.528 1.00 0.00 H new ATOM 0 HA TYR A 33 6.152 -3.128 -4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.556 -2.399 -2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.343 -3.909 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.761 -0.520 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.301 -3.652 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.288 0.709 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.825 -2.410 1.206 1.00 0.00 H new ATOM 275 N THR A 34 5.327 -5.142 -5.398 1.00 0.00 N ATOM 276 CA THR A 34 4.886 -6.358 -6.061 1.00 0.00 C ATOM 277 C THR A 34 5.709 -7.555 -5.583 1.00 0.00 C ATOM 278 O THR A 34 6.849 -7.396 -5.152 1.00 0.00 O ATOM 279 CB THR A 34 4.968 -6.128 -7.572 1.00 0.00 C ATOM 280 OG1 THR A 34 6.329 -5.774 -7.796 1.00 0.00 O ATOM 281 CG2 THR A 34 4.182 -4.893 -8.020 1.00 0.00 C ATOM 0 H THR A 34 6.338 -5.059 -5.287 1.00 0.00 H new ATOM 0 HA THR A 34 3.852 -6.594 -5.809 1.00 0.00 H new ATOM 0 HB THR A 34 4.590 -7.007 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.826 -5.834 -6.953 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.273 -4.776 -9.100 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.132 -5.015 -7.756 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.581 -4.008 -7.524 1.00 0.00 H new ATOM 282 N CYS A 35 5.098 -8.728 -5.676 1.00 0.00 N ATOM 283 CA CYS A 35 5.761 -9.952 -5.259 1.00 0.00 C ATOM 284 C CYS A 35 4.810 -11.123 -5.515 1.00 0.00 C ATOM 285 O CYS A 35 3.602 -10.930 -5.643 1.00 0.00 O ATOM 286 CB CYS A 35 6.204 -9.884 -3.796 1.00 0.00 C ATOM 287 SG CYS A 35 7.348 -11.264 -3.424 1.00 0.00 S ATOM 0 H CYS A 35 4.151 -8.856 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 35 6.673 -10.092 -5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.695 -8.931 -3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.334 -9.935 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 35 7.720 -11.196 -2.180 1.00 0.00 H new ATOM 338 N HIS A 42 -4.686 -13.388 -9.823 1.00 0.00 N ATOM 339 CA HIS A 42 -5.242 -12.049 -9.916 1.00 0.00 C ATOM 340 C HIS A 42 -4.280 -11.049 -9.270 1.00 0.00 C ATOM 341 O HIS A 42 -3.515 -11.406 -8.376 1.00 0.00 O ATOM 342 CB HIS A 42 -6.644 -11.999 -9.309 1.00 0.00 C ATOM 343 CG HIS A 42 -6.784 -12.776 -8.022 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.581 -13.903 -7.908 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.222 -12.577 -6.795 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.494 -14.353 -6.666 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.652 -13.530 -5.977 1.00 0.00 N ATOM 0 HA HIS A 42 -5.354 -11.770 -10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.912 -10.959 -9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.357 -12.388 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.542 -11.779 -6.533 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.001 -15.220 -6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.395 -13.630 -4.995 1.00 0.00 H new ATOM 348 N PHE A 43 -4.351 -9.814 -9.748 1.00 0.00 N ATOM 349 CA PHE A 43 -3.498 -8.760 -9.228 1.00 0.00 C ATOM 350 C PHE A 43 -4.277 -7.834 -8.292 1.00 0.00 C ATOM 351 O PHE A 43 -5.105 -7.044 -8.743 1.00 0.00 O ATOM 352 CB PHE A 43 -3.003 -7.952 -10.429 1.00 0.00 C ATOM 353 CG PHE A 43 -4.095 -7.616 -11.445 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.404 -8.500 -12.431 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.759 -6.431 -11.363 1.00 0.00 C ATOM 356 CE1 PHE A 43 -5.418 -8.187 -13.374 1.00 0.00 C ATOM 357 CE2 PHE A 43 -5.774 -6.118 -12.305 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.081 -7.003 -13.292 1.00 0.00 C ATOM 0 H PHE A 43 -4.987 -9.521 -10.490 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.674 -9.194 -8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.557 -7.024 -10.071 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.214 -8.512 -10.931 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.878 -9.441 -12.497 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.514 -5.728 -10.581 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.663 -8.890 -14.157 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.302 -5.178 -12.238 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.851 -6.765 -14.010 1.00 0.00 H new ATOM 359 N ARG A 44 -3.985 -7.963 -7.006 1.00 0.00 N ATOM 360 CA ARG A 44 -4.649 -7.147 -6.003 1.00 0.00 C ATOM 361 C ARG A 44 -4.251 -5.679 -6.164 1.00 0.00 C ATOM 362 O ARG A 44 -3.215 -5.253 -5.654 1.00 0.00 O ATOM 363 CB ARG A 44 -4.292 -7.614 -4.590 1.00 0.00 C ATOM 364 CG ARG A 44 -5.154 -8.807 -4.173 1.00 0.00 C ATOM 365 CD ARG A 44 -4.822 -10.043 -5.013 1.00 0.00 C ATOM 366 NE ARG A 44 -3.422 -10.457 -4.772 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.028 -11.207 -3.734 1.00 0.00 C ATOM 0 H ARG A 44 -3.298 -8.620 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.724 -7.253 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.238 -7.890 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.434 -6.794 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.992 -9.026 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.209 -8.557 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.500 -10.858 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.968 -9.824 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.712 -10.152 -5.438 1.00 0.00 H new ATOM 368 N LEU A 45 -5.094 -4.944 -6.875 1.00 0.00 N ATOM 369 CA LEU A 45 -4.842 -3.532 -7.109 1.00 0.00 C ATOM 370 C LEU A 45 -5.199 -2.740 -5.851 1.00 0.00 C ATOM 371 O LEU A 45 -6.345 -2.333 -5.673 1.00 0.00 O ATOM 372 CB LEU A 45 -5.578 -3.059 -8.365 1.00 0.00 C ATOM 373 CG LEU A 45 -4.741 -2.275 -9.377 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.471 -2.155 -10.715 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.342 -0.908 -8.817 1.00 0.00 C ATOM 0 H LEU A 45 -5.952 -5.300 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.783 -3.360 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.996 -3.931 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.418 -2.436 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.820 -2.829 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.854 -1.593 -11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.662 -3.150 -11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.418 -1.636 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.748 -0.371 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.239 -0.333 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.755 -1.044 -7.909 1.00 0.00 H new ATOM 376 N GLY A 46 -4.195 -2.544 -5.008 1.00 0.00 N ATOM 377 CA GLY A 46 -4.388 -1.807 -3.771 1.00 0.00 C ATOM 378 C GLY A 46 -3.993 -0.338 -3.941 1.00 0.00 C ATOM 379 O GLY A 46 -3.625 0.087 -5.035 1.00 0.00 O ATOM 0 H GLY A 46 -3.245 -2.883 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.431 -1.873 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.792 -2.258 -2.978 1.00 0.00 H new ATOM 380 N ILE A 47 -4.083 0.396 -2.841 1.00 0.00 N ATOM 381 CA ILE A 47 -3.740 1.807 -2.854 1.00 0.00 C ATOM 382 C ILE A 47 -3.120 2.189 -1.509 1.00 0.00 C ATOM 383 O ILE A 47 -3.661 1.857 -0.455 1.00 0.00 O ATOM 384 CB ILE A 47 -4.958 2.652 -3.232 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.234 2.575 -4.735 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.795 4.095 -2.752 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.461 1.708 -5.023 1.00 0.00 C ATOM 0 H ILE A 47 -4.388 0.039 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.991 2.009 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.830 2.241 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.392 3.578 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.365 2.163 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.675 4.674 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.684 4.107 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.910 4.534 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.635 1.670 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.290 0.699 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.333 2.136 -4.529 1.00 0.00 H new ATOM 388 N SER A 48 -1.993 2.882 -1.588 1.00 0.00 N ATOM 389 CA SER A 48 -1.293 3.312 -0.389 1.00 0.00 C ATOM 390 C SER A 48 -0.884 4.780 -0.521 1.00 0.00 C ATOM 391 O SER A 48 -0.297 5.177 -1.528 1.00 0.00 O ATOM 392 CB SER A 48 -0.065 2.440 -0.125 1.00 0.00 C ATOM 393 OG SER A 48 -0.417 1.181 0.442 1.00 0.00 O ATOM 0 H SER A 48 -1.547 3.156 -2.464 1.00 0.00 H new ATOM 0 HA SER A 48 -1.969 3.205 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.473 2.279 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.614 2.964 0.548 1.00 0.00 H new ATOM 0 HG SER A 48 0.394 0.653 0.594 1.00 0.00 H new ATOM 394 N VAL A 49 -1.209 5.548 0.509 1.00 0.00 N ATOM 395 CA VAL A 49 -0.882 6.963 0.520 1.00 0.00 C ATOM 396 C VAL A 49 0.124 7.241 1.640 1.00 0.00 C ATOM 397 O VAL A 49 0.280 6.432 2.553 1.00 0.00 O ATOM 398 CB VAL A 49 -2.160 7.794 0.645 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.875 9.139 1.318 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.820 7.994 -0.720 1.00 0.00 C ATOM 0 H VAL A 49 -1.696 5.216 1.342 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.412 7.254 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.857 7.243 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.800 9.711 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.470 8.968 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.152 9.697 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.726 8.588 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.130 8.513 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.075 7.024 -1.147 1.00 0.00 H new ATOM 401 N SER A 50 0.779 8.387 1.532 1.00 0.00 N ATOM 402 CA SER A 50 1.765 8.782 2.524 1.00 0.00 C ATOM 403 C SER A 50 1.120 9.693 3.570 1.00 0.00 C ATOM 404 O SER A 50 -0.011 10.144 3.393 1.00 0.00 O ATOM 405 CB SER A 50 2.955 9.486 1.869 1.00 0.00 C ATOM 406 OG SER A 50 4.187 9.157 2.505 1.00 0.00 O ATOM 0 H SER A 50 0.647 9.055 0.773 1.00 0.00 H new ATOM 0 HA SER A 50 2.135 7.882 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.005 9.209 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.804 10.565 1.908 1.00 0.00 H new ATOM 0 HG SER A 50 4.922 9.625 2.056 1.00 0.00 H new ATOM 407 N LYS A 51 1.866 9.936 4.638 1.00 0.00 N ATOM 408 CA LYS A 51 1.380 10.784 5.712 1.00 0.00 C ATOM 409 C LYS A 51 2.244 12.044 5.791 1.00 0.00 C ATOM 410 O LYS A 51 2.010 12.911 6.633 1.00 0.00 O ATOM 411 CB LYS A 51 1.313 10.001 7.025 1.00 0.00 C ATOM 412 CG LYS A 51 2.714 9.763 7.594 1.00 0.00 C ATOM 413 CD LYS A 51 2.753 8.490 8.440 1.00 0.00 C ATOM 414 CE LYS A 51 2.198 8.746 9.844 1.00 0.00 C ATOM 415 NZ LYS A 51 3.221 8.441 10.869 1.00 0.00 N ATOM 0 H LYS A 51 2.803 9.560 4.782 1.00 0.00 H new ATOM 0 HA LYS A 51 0.359 11.108 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.711 10.550 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.817 9.045 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.433 9.684 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.014 10.617 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.172 7.707 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.779 8.128 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.884 9.786 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.314 8.131 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.828 8.620 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.501 7.442 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.053 9.046 10.719 1.00 0.00 H new ATOM 416 N LYS A 52 3.226 12.107 4.903 1.00 0.00 N ATOM 417 CA LYS A 52 4.126 13.247 4.862 1.00 0.00 C ATOM 418 C LYS A 52 3.830 14.079 3.613 1.00 0.00 C ATOM 419 O LYS A 52 4.211 15.247 3.536 1.00 0.00 O ATOM 420 CB LYS A 52 5.581 12.784 4.963 1.00 0.00 C ATOM 421 CG LYS A 52 6.236 13.314 6.240 1.00 0.00 C ATOM 422 CD LYS A 52 6.734 14.748 6.047 1.00 0.00 C ATOM 423 CE LYS A 52 6.467 15.593 7.294 1.00 0.00 C ATOM 424 NZ LYS A 52 7.046 16.946 7.136 1.00 0.00 N ATOM 0 H LYS A 52 3.418 11.387 4.207 1.00 0.00 H new ATOM 0 HA LYS A 52 3.962 13.895 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.622 11.695 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.138 13.131 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.520 13.282 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.070 12.670 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.802 14.740 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.238 15.196 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.393 15.668 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.897 15.107 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.856 17.507 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.073 16.869 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.616 17.414 6.313 1.00 0.00 H new ATOM 425 N LEU A 53 3.156 13.446 2.664 1.00 0.00 N ATOM 426 CA LEU A 53 2.805 14.113 1.422 1.00 0.00 C ATOM 427 C LEU A 53 2.412 15.562 1.720 1.00 0.00 C ATOM 428 O LEU A 53 3.135 16.491 1.364 1.00 0.00 O ATOM 429 CB LEU A 53 1.728 13.325 0.675 1.00 0.00 C ATOM 430 CG LEU A 53 1.987 13.079 -0.813 1.00 0.00 C ATOM 431 CD1 LEU A 53 2.223 11.593 -1.089 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.853 13.647 -1.668 1.00 0.00 C ATOM 0 H LEU A 53 2.843 12.477 2.731 1.00 0.00 H new ATOM 0 HA LEU A 53 3.664 14.146 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.606 12.360 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.782 13.856 0.776 1.00 0.00 H new ATOM 0 HG LEU A 53 2.898 13.608 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.405 11.445 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.089 11.251 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.344 11.023 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.062 13.459 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.086 13.167 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.774 14.721 -1.500 1.00 0.00 H new ATOM 433 N GLY A 54 1.267 15.709 2.370 1.00 0.00 N ATOM 434 CA GLY A 54 0.768 17.028 2.720 1.00 0.00 C ATOM 435 C GLY A 54 -0.661 16.949 3.256 1.00 0.00 C ATOM 436 O GLY A 54 -0.889 16.451 4.358 1.00 0.00 O ATOM 0 H GLY A 54 0.670 14.936 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.417 17.479 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.796 17.676 1.844 1.00 0.00 H new ATOM 437 N ASN A 55 -1.590 17.450 2.453 1.00 0.00 N ATOM 438 CA ASN A 55 -2.992 17.443 2.834 1.00 0.00 C ATOM 439 C ASN A 55 -3.650 16.163 2.314 1.00 0.00 C ATOM 440 O ASN A 55 -2.972 15.165 2.074 1.00 0.00 O ATOM 441 CB ASN A 55 -3.733 18.635 2.227 1.00 0.00 C ATOM 442 CG ASN A 55 -2.749 19.686 1.707 1.00 0.00 C ATOM 443 OD1 ASN A 55 -1.816 20.088 2.382 1.00 0.00 O ATOM 444 ND2 ASN A 55 -3.010 20.105 0.472 1.00 0.00 N ATOM 0 H ASN A 55 -1.398 17.863 1.540 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.047 17.500 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.371 18.294 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.386 19.082 2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.412 20.805 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.809 19.726 -0.037 1.00 0.00 H new ATOM 445 N ALA A 56 -4.964 16.234 2.156 1.00 0.00 N ATOM 446 CA ALA A 56 -5.721 15.093 1.669 1.00 0.00 C ATOM 447 C ALA A 56 -6.126 15.339 0.214 1.00 0.00 C ATOM 448 O ALA A 56 -6.445 14.399 -0.512 1.00 0.00 O ATOM 449 CB ALA A 56 -6.928 14.856 2.578 1.00 0.00 C ATOM 0 H ALA A 56 -5.523 17.063 2.356 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.112 14.189 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.496 14.000 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.585 14.658 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.564 15.741 2.576 1.00 0.00 H new ATOM 450 N VAL A 57 -6.099 16.607 -0.168 1.00 0.00 N ATOM 451 CA VAL A 57 -6.460 16.989 -1.523 1.00 0.00 C ATOM 452 C VAL A 57 -5.373 16.511 -2.488 1.00 0.00 C ATOM 453 O VAL A 57 -5.640 16.285 -3.668 1.00 0.00 O ATOM 454 CB VAL A 57 -6.703 18.497 -1.595 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.382 19.260 -1.706 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.638 18.847 -2.755 1.00 0.00 C ATOM 0 H VAL A 57 -5.833 17.384 0.437 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.393 16.510 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.190 18.803 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.583 20.330 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.764 19.047 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.856 18.947 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.794 19.925 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.191 18.520 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.595 18.345 -2.615 1.00 0.00 H new ATOM 457 N LEU A 58 -4.170 16.372 -1.953 1.00 0.00 N ATOM 458 CA LEU A 58 -3.040 15.926 -2.752 1.00 0.00 C ATOM 459 C LEU A 58 -3.017 14.396 -2.783 1.00 0.00 C ATOM 460 O LEU A 58 -2.483 13.800 -3.717 1.00 0.00 O ATOM 461 CB LEU A 58 -1.742 16.551 -2.240 1.00 0.00 C ATOM 462 CG LEU A 58 -1.484 16.428 -0.737 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.621 14.977 -0.274 1.00 0.00 C ATOM 464 CD2 LEU A 58 -0.126 17.023 -0.363 1.00 0.00 C ATOM 0 H LEU A 58 -3.952 16.560 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.144 16.265 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.908 16.092 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.743 17.609 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.244 17.006 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.433 14.918 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.629 14.621 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.899 14.356 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.032 16.922 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.663 16.493 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.103 18.078 -0.636 1.00 0.00 H new ATOM 465 N ARG A 59 -3.603 13.806 -1.752 1.00 0.00 N ATOM 466 CA ARG A 59 -3.655 12.357 -1.650 1.00 0.00 C ATOM 467 C ARG A 59 -4.894 11.819 -2.370 1.00 0.00 C ATOM 468 O ARG A 59 -5.021 10.613 -2.575 1.00 0.00 O ATOM 469 CB ARG A 59 -3.689 11.909 -0.188 1.00 0.00 C ATOM 470 CG ARG A 59 -5.125 11.850 0.335 1.00 0.00 C ATOM 471 CD ARG A 59 -5.631 10.406 0.385 1.00 0.00 C ATOM 472 NE ARG A 59 -6.460 10.201 1.593 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.734 9.001 2.121 1.00 0.00 C ATOM 0 H ARG A 59 -4.046 14.304 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.756 11.959 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.224 10.928 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.105 12.599 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.172 12.290 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.775 12.445 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.215 10.186 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.787 9.716 0.392 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.847 11.025 2.053 1.00 0.00 H new ATOM 474 N ASN A 60 -5.775 12.740 -2.732 1.00 0.00 N ATOM 475 CA ASN A 60 -6.999 12.373 -3.424 1.00 0.00 C ATOM 476 C ASN A 60 -6.730 12.312 -4.929 1.00 0.00 C ATOM 477 O ASN A 60 -7.350 11.526 -5.643 1.00 0.00 O ATOM 478 CB ASN A 60 -8.100 13.407 -3.182 1.00 0.00 C ATOM 479 CG ASN A 60 -9.302 12.774 -2.478 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.794 11.723 -2.858 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.745 13.467 -1.434 1.00 0.00 N ATOM 0 H ASN A 60 -5.666 13.739 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.324 11.405 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.709 14.225 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.416 13.837 -4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.543 13.126 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.287 14.339 -1.170 1.00 0.00 H new ATOM 482 N LYS A 61 -5.805 13.155 -5.368 1.00 0.00 N ATOM 483 CA LYS A 61 -5.447 13.207 -6.774 1.00 0.00 C ATOM 484 C LYS A 61 -4.485 12.061 -7.095 1.00 0.00 C ATOM 485 O LYS A 61 -4.506 11.519 -8.199 1.00 0.00 O ATOM 486 CB LYS A 61 -4.900 14.589 -7.137 1.00 0.00 C ATOM 487 CG LYS A 61 -5.258 14.961 -8.577 1.00 0.00 C ATOM 488 CD LYS A 61 -6.063 16.261 -8.625 1.00 0.00 C ATOM 489 CE LYS A 61 -5.138 17.474 -8.752 1.00 0.00 C ATOM 490 NZ LYS A 61 -5.010 17.881 -10.169 1.00 0.00 N ATOM 0 H LYS A 61 -5.293 13.807 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.330 13.065 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.305 15.335 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.817 14.599 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.347 15.072 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.835 14.155 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.753 16.235 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.667 16.353 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.532 18.303 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.155 17.234 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.379 18.705 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.613 17.094 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.947 18.130 -10.545 1.00 0.00 H new ATOM 491 N ILE A 62 -3.666 11.727 -6.109 1.00 0.00 N ATOM 492 CA ILE A 62 -2.698 10.655 -6.272 1.00 0.00 C ATOM 493 C ILE A 62 -3.428 9.310 -6.272 1.00 0.00 C ATOM 494 O ILE A 62 -3.097 8.421 -7.054 1.00 0.00 O ATOM 495 CB ILE A 62 -1.599 10.759 -5.211 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.622 11.888 -5.543 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.886 9.418 -5.028 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.245 12.236 -4.331 1.00 0.00 C ATOM 0 H ILE A 62 -3.652 12.179 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.191 10.743 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.066 11.008 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.014 11.590 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.176 12.770 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.110 9.519 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.606 8.663 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.433 9.115 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.931 13.041 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.393 12.557 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.815 11.358 -4.028 1.00 0.00 H new ATOM 499 N LYS A 63 -4.407 9.205 -5.386 1.00 0.00 N ATOM 500 CA LYS A 63 -5.186 7.984 -5.274 1.00 0.00 C ATOM 501 C LYS A 63 -6.206 7.928 -6.413 1.00 0.00 C ATOM 502 O LYS A 63 -6.627 6.847 -6.821 1.00 0.00 O ATOM 503 CB LYS A 63 -5.813 7.874 -3.882 1.00 0.00 C ATOM 504 CG LYS A 63 -7.213 8.491 -3.861 1.00 0.00 C ATOM 505 CD LYS A 63 -7.876 8.299 -2.496 1.00 0.00 C ATOM 506 CE LYS A 63 -9.041 7.312 -2.587 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.219 6.601 -1.302 1.00 0.00 N ATOM 0 H LYS A 63 -4.679 9.945 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.542 7.111 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.869 6.826 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.179 8.378 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.149 9.554 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.828 8.033 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.141 7.934 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.236 9.258 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.957 7.844 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.855 6.593 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.014 5.935 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.350 6.078 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.418 7.290 -0.549 1.00 0.00 H new ATOM 508 N ARG A 64 -6.572 9.107 -6.895 1.00 0.00 N ATOM 509 CA ARG A 64 -7.533 9.205 -7.980 1.00 0.00 C ATOM 510 C ARG A 64 -6.898 8.751 -9.296 1.00 0.00 C ATOM 511 O ARG A 64 -7.462 7.921 -10.007 1.00 0.00 O ATOM 512 CB ARG A 64 -8.042 10.640 -8.136 1.00 0.00 C ATOM 513 CG ARG A 64 -8.536 10.894 -9.562 1.00 0.00 C ATOM 514 CD ARG A 64 -9.694 11.895 -9.571 1.00 0.00 C ATOM 515 NE ARG A 64 -9.959 12.349 -10.953 1.00 0.00 N ATOM 516 CZ ARG A 64 -9.225 13.269 -11.596 1.00 0.00 C ATOM 0 H ARG A 64 -6.220 10.002 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.375 8.556 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.852 10.822 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.244 11.341 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.717 11.275 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.859 9.955 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.588 11.433 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.452 12.749 -8.939 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.750 11.937 -11.448 1.00 0.00 H new ATOM 517 N ALA A 65 -5.733 9.314 -9.579 1.00 0.00 N ATOM 518 CA ALA A 65 -5.015 8.977 -10.797 1.00 0.00 C ATOM 519 C ALA A 65 -4.620 7.500 -10.758 1.00 0.00 C ATOM 520 O ALA A 65 -4.344 6.899 -11.795 1.00 0.00 O ATOM 521 CB ALA A 65 -3.805 9.900 -10.949 1.00 0.00 C ATOM 0 H ALA A 65 -5.268 10.001 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.650 9.126 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.267 9.647 -11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.142 10.935 -11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.143 9.776 -10.092 1.00 0.00 H new ATOM 522 N ILE A 66 -4.605 6.955 -9.550 1.00 0.00 N ATOM 523 CA ILE A 66 -4.248 5.559 -9.362 1.00 0.00 C ATOM 524 C ILE A 66 -5.294 4.674 -10.043 1.00 0.00 C ATOM 525 O ILE A 66 -4.958 3.636 -10.611 1.00 0.00 O ATOM 526 CB ILE A 66 -4.054 5.252 -7.876 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.621 5.555 -7.435 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.459 3.811 -7.558 1.00 0.00 C ATOM 529 CD1 ILE A 66 -2.524 5.645 -5.912 1.00 0.00 C ATOM 0 H ILE A 66 -4.835 7.456 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.290 5.342 -9.836 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.711 5.906 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.952 4.776 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.290 6.493 -7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.312 3.618 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.509 3.664 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.845 3.124 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.495 5.861 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.176 6.441 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.832 4.697 -5.471 1.00 0.00 H new ATOM 530 N ARG A 67 -6.540 5.117 -9.963 1.00 0.00 N ATOM 531 CA ARG A 67 -7.637 4.378 -10.565 1.00 0.00 C ATOM 532 C ARG A 67 -8.023 5.000 -11.908 1.00 0.00 C ATOM 533 O ARG A 67 -9.049 4.647 -12.487 1.00 0.00 O ATOM 534 CB ARG A 67 -8.860 4.364 -9.646 1.00 0.00 C ATOM 535 CG ARG A 67 -9.599 3.027 -9.737 1.00 0.00 C ATOM 536 CD ARG A 67 -11.033 3.156 -9.220 1.00 0.00 C ATOM 537 NE ARG A 67 -11.896 3.751 -10.264 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.361 3.079 -11.327 1.00 0.00 C ATOM 0 H ARG A 67 -6.814 5.978 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.301 3.353 -10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.548 4.542 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.534 5.176 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.611 2.684 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.066 2.273 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.415 2.176 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.051 3.777 -8.324 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.153 4.733 -10.169 1.00 0.00 H new ATOM 539 N GLU A 68 -7.180 5.915 -12.364 1.00 0.00 N ATOM 540 CA GLU A 68 -7.420 6.590 -13.628 1.00 0.00 C ATOM 541 C GLU A 68 -6.373 6.171 -14.662 1.00 0.00 C ATOM 542 O GLU A 68 -6.437 6.582 -15.819 1.00 0.00 O ATOM 543 CB GLU A 68 -7.432 8.108 -13.445 1.00 0.00 C ATOM 544 CG GLU A 68 -8.648 8.734 -14.132 1.00 0.00 C ATOM 545 CD GLU A 68 -8.223 9.839 -15.102 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.707 9.478 -16.182 1.00 0.00 O ATOM 547 OE2 GLU A 68 -8.422 11.019 -14.740 1.00 0.00 O ATOM 0 H GLU A 68 -6.330 6.205 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.403 6.293 -13.994 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.446 8.350 -12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.517 8.535 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.201 7.965 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.323 9.145 -13.381 1.00 0.00 H new ATOM 548 N ASN A 69 -5.433 5.355 -14.206 1.00 0.00 N ATOM 549 CA ASN A 69 -4.372 4.875 -15.077 1.00 0.00 C ATOM 550 C ASN A 69 -4.396 3.346 -15.106 1.00 0.00 C ATOM 551 O ASN A 69 -4.199 2.738 -16.157 1.00 0.00 O ATOM 552 CB ASN A 69 -2.999 5.317 -14.568 1.00 0.00 C ATOM 553 CG ASN A 69 -1.903 4.973 -15.578 1.00 0.00 C ATOM 554 OD1 ASN A 69 -0.869 4.418 -15.245 1.00 0.00 O ATOM 555 ND2 ASN A 69 -2.187 5.331 -16.827 1.00 0.00 N ATOM 0 H ASN A 69 -5.384 5.014 -13.246 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.538 5.290 -16.071 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.004 6.391 -14.383 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.786 4.831 -13.616 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.520 5.144 -17.575 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.072 5.793 -17.036 1.00 0.00 H new ATOM 556 N PHE A 70 -4.638 2.767 -13.939 1.00 0.00 N ATOM 557 CA PHE A 70 -4.690 1.320 -13.818 1.00 0.00 C ATOM 558 C PHE A 70 -5.976 0.764 -14.430 1.00 0.00 C ATOM 559 O PHE A 70 -6.249 -0.432 -14.332 1.00 0.00 O ATOM 560 CB PHE A 70 -4.669 0.995 -12.322 1.00 0.00 C ATOM 561 CG PHE A 70 -3.280 0.660 -11.777 1.00 0.00 C ATOM 562 CD1 PHE A 70 -2.707 -0.539 -12.067 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.617 1.561 -11.002 1.00 0.00 C ATOM 564 CE1 PHE A 70 -1.417 -0.850 -11.562 1.00 0.00 C ATOM 565 CE2 PHE A 70 -1.328 1.248 -10.497 1.00 0.00 C ATOM 566 CZ PHE A 70 -0.755 0.050 -10.787 1.00 0.00 C ATOM 0 H PHE A 70 -4.800 3.274 -13.069 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.847 0.873 -14.344 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.069 1.846 -11.770 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.334 0.152 -12.134 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.233 -1.254 -12.681 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.071 2.513 -10.771 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.962 -1.802 -11.793 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.802 1.963 -9.882 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.226 -0.187 -10.402 1.00 0.00 H new ATOM 567 N LYS A 71 -6.734 1.658 -15.049 1.00 0.00 N ATOM 568 CA LYS A 71 -7.985 1.271 -15.677 1.00 0.00 C ATOM 569 C LYS A 71 -7.804 1.252 -17.196 1.00 0.00 C ATOM 570 O LYS A 71 -8.753 0.994 -17.935 1.00 0.00 O ATOM 571 CB LYS A 71 -9.125 2.178 -15.206 1.00 0.00 C ATOM 572 CG LYS A 71 -9.045 3.552 -15.875 1.00 0.00 C ATOM 573 CD LYS A 71 -9.779 3.550 -17.218 1.00 0.00 C ATOM 574 CE LYS A 71 -10.555 4.853 -17.419 1.00 0.00 C ATOM 575 NZ LYS A 71 -10.333 5.384 -18.782 1.00 0.00 N ATOM 0 H LYS A 71 -6.505 2.649 -15.129 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.265 0.262 -15.376 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.083 1.713 -15.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.079 2.294 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.481 4.306 -15.219 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.001 3.826 -16.027 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.062 3.421 -18.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.465 2.704 -17.261 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.619 4.678 -17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.239 5.589 -16.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.867 6.268 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.319 5.570 -18.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.656 4.687 -19.483 1.00 0.00 H new ATOM 576 N VAL A 72 -6.578 1.528 -17.616 1.00 0.00 N ATOM 577 CA VAL A 72 -6.259 1.546 -19.034 1.00 0.00 C ATOM 578 C VAL A 72 -5.406 0.323 -19.376 1.00 0.00 C ATOM 579 O VAL A 72 -5.722 -0.419 -20.305 1.00 0.00 O ATOM 580 CB VAL A 72 -5.584 2.868 -19.402 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.200 4.034 -18.626 1.00 0.00 C ATOM 582 CG2 VAL A 72 -4.073 2.794 -19.173 1.00 0.00 C ATOM 0 H VAL A 72 -5.794 1.741 -17.000 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.169 1.485 -19.631 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.754 3.046 -20.464 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.701 4.962 -18.907 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.262 4.107 -18.861 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.076 3.865 -17.556 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.617 3.747 -19.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.874 2.581 -18.123 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.650 2.002 -19.791 1.00 0.00 H new ATOM 583 N HIS A 73 -4.341 0.150 -18.606 1.00 0.00 N ATOM 584 CA HIS A 73 -3.440 -0.970 -18.816 1.00 0.00 C ATOM 585 C HIS A 73 -3.970 -2.200 -18.076 1.00 0.00 C ATOM 586 O HIS A 73 -3.283 -3.216 -17.983 1.00 0.00 O ATOM 587 CB HIS A 73 -2.013 -0.603 -18.408 1.00 0.00 C ATOM 588 CG HIS A 73 -1.932 0.503 -17.382 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.946 0.264 -16.019 1.00 0.00 N ATOM 590 CD2 HIS A 73 -1.837 1.855 -17.534 1.00 0.00 C ATOM 591 CE1 HIS A 73 -1.862 1.426 -15.389 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.796 2.411 -16.331 1.00 0.00 N ATOM 0 H HIS A 73 -4.082 0.767 -17.836 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.401 -1.216 -19.877 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.520 -1.490 -18.010 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.458 -0.302 -19.297 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.010 -0.652 -15.575 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.801 2.383 -18.475 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.848 1.569 -14.319 1.00 0.00 H new ATOM 593 N LYS A 74 -5.187 -2.068 -17.569 1.00 0.00 N ATOM 594 CA LYS A 74 -5.817 -3.155 -16.841 1.00 0.00 C ATOM 595 C LYS A 74 -6.142 -4.293 -17.812 1.00 0.00 C ATOM 596 O LYS A 74 -6.527 -5.383 -17.391 1.00 0.00 O ATOM 597 CB LYS A 74 -7.031 -2.647 -16.061 1.00 0.00 C ATOM 598 CG LYS A 74 -7.070 -3.245 -14.654 1.00 0.00 C ATOM 599 CD LYS A 74 -8.419 -3.910 -14.377 1.00 0.00 C ATOM 600 CE LYS A 74 -9.257 -3.069 -13.411 1.00 0.00 C ATOM 601 NZ LYS A 74 -10.507 -2.619 -14.064 1.00 0.00 N ATOM 0 H LYS A 74 -5.754 -1.224 -17.648 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.134 -3.558 -16.093 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.997 -1.559 -15.997 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.945 -2.906 -16.595 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.270 -3.978 -14.544 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.889 -2.462 -13.917 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.961 -4.044 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.260 -4.903 -13.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.494 -3.654 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.682 -2.205 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.063 -2.050 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.275 -2.043 -14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.062 -3.447 -14.359 1.00 0.00 H new ATOM 602 N SER A 75 -5.975 -4.000 -19.093 1.00 0.00 N ATOM 603 CA SER A 75 -6.246 -4.984 -20.128 1.00 0.00 C ATOM 604 C SER A 75 -5.015 -5.865 -20.347 1.00 0.00 C ATOM 605 O SER A 75 -5.139 -7.072 -20.551 1.00 0.00 O ATOM 606 CB SER A 75 -6.655 -4.309 -21.437 1.00 0.00 C ATOM 607 OG SER A 75 -7.863 -4.851 -21.963 1.00 0.00 O ATOM 0 H SER A 75 -5.655 -3.095 -19.438 1.00 0.00 H new ATOM 0 HA SER A 75 -7.077 -5.607 -19.798 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.781 -3.239 -21.269 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.856 -4.425 -22.170 1.00 0.00 H new ATOM 0 HG SER A 75 -8.091 -4.392 -22.798 1.00 0.00 H new ATOM 608 N HIS A 76 -3.854 -5.228 -20.297 1.00 0.00 N ATOM 609 CA HIS A 76 -2.601 -5.938 -20.488 1.00 0.00 C ATOM 610 C HIS A 76 -1.916 -6.143 -19.135 1.00 0.00 C ATOM 611 O HIS A 76 -0.694 -6.268 -19.067 1.00 0.00 O ATOM 612 CB HIS A 76 -1.713 -5.212 -21.498 1.00 0.00 C ATOM 613 CG HIS A 76 -1.184 -3.885 -21.010 1.00 0.00 C ATOM 614 ND1 HIS A 76 -1.027 -2.788 -21.840 1.00 0.00 N ATOM 615 CD2 HIS A 76 -0.780 -3.489 -19.769 1.00 0.00 C ATOM 616 CE1 HIS A 76 -0.549 -1.785 -21.121 1.00 0.00 C ATOM 617 NE2 HIS A 76 -0.394 -2.220 -19.837 1.00 0.00 N ATOM 0 H HIS A 76 -3.755 -4.227 -20.127 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.798 -6.924 -20.909 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -0.871 -5.855 -21.754 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.280 -5.050 -22.415 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -1.243 -2.758 -22.836 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -0.775 -4.104 -18.881 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.321 -0.795 -21.487 1.00 0.00 H new ATOM 618 N ILE A 77 -2.733 -6.169 -18.092 1.00 0.00 N ATOM 619 CA ILE A 77 -2.220 -6.356 -16.745 1.00 0.00 C ATOM 620 C ILE A 77 -2.505 -7.788 -16.289 1.00 0.00 C ATOM 621 O ILE A 77 -3.571 -8.333 -16.571 1.00 0.00 O ATOM 622 CB ILE A 77 -2.783 -5.288 -15.805 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.711 -4.261 -15.437 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.416 -5.925 -14.567 1.00 0.00 C ATOM 625 CD1 ILE A 77 -2.330 -2.883 -15.196 1.00 0.00 C ATOM 0 H ILE A 77 -3.746 -6.064 -18.152 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.138 -6.225 -16.728 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.574 -4.753 -16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.182 -4.587 -14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.974 -4.197 -16.237 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.808 -5.144 -13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.228 -6.585 -14.872 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.663 -6.501 -14.029 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.546 -2.172 -14.936 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.837 -2.549 -16.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.049 -2.945 -14.379 1.00 0.00 H new ATOM 626 N LEU A 78 -1.532 -8.358 -15.593 1.00 0.00 N ATOM 627 CA LEU A 78 -1.666 -9.716 -15.096 1.00 0.00 C ATOM 628 C LEU A 78 -1.798 -9.687 -13.572 1.00 0.00 C ATOM 629 O LEU A 78 -1.714 -8.624 -12.959 1.00 0.00 O ATOM 630 CB LEU A 78 -0.508 -10.586 -15.595 1.00 0.00 C ATOM 631 CG LEU A 78 0.812 -9.858 -15.858 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.683 -8.898 -17.041 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.307 -9.150 -14.596 1.00 0.00 C ATOM 0 H LEU A 78 -0.648 -7.904 -15.362 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.574 -10.176 -15.487 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.327 -11.371 -14.861 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.819 -11.077 -16.517 1.00 0.00 H new ATOM 0 HG LEU A 78 1.564 -10.600 -16.127 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.635 -8.394 -17.206 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.409 -9.457 -17.935 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.087 -8.157 -16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.247 -8.640 -14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.564 -8.421 -14.273 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.464 -9.883 -13.805 1.00 0.00 H new ATOM 634 N ALA A 79 -2.005 -10.866 -13.004 1.00 0.00 N ATOM 635 CA ALA A 79 -2.151 -10.988 -11.564 1.00 0.00 C ATOM 636 C ALA A 79 -0.883 -10.469 -10.882 1.00 0.00 C ATOM 637 O ALA A 79 -0.165 -9.644 -11.444 1.00 0.00 O ATOM 638 CB ALA A 79 -2.452 -12.444 -11.203 1.00 0.00 C ATOM 0 H ALA A 79 -2.075 -11.746 -13.516 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.987 -10.385 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.562 -12.536 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.376 -12.756 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.633 -13.079 -11.540 1.00 0.00 H new ATOM 639 N LYS A 80 -0.649 -10.972 -9.679 1.00 0.00 N ATOM 640 CA LYS A 80 0.519 -10.569 -8.913 1.00 0.00 C ATOM 641 C LYS A 80 0.159 -9.368 -8.037 1.00 0.00 C ATOM 642 O LYS A 80 -0.166 -8.297 -8.547 1.00 0.00 O ATOM 643 CB LYS A 80 1.708 -10.318 -9.844 1.00 0.00 C ATOM 644 CG LYS A 80 1.759 -11.360 -10.962 1.00 0.00 C ATOM 645 CD LYS A 80 3.111 -12.077 -10.982 1.00 0.00 C ATOM 646 CE LYS A 80 3.563 -12.354 -12.417 1.00 0.00 C ATOM 647 NZ LYS A 80 4.780 -11.575 -12.737 1.00 0.00 N ATOM 0 H LYS A 80 -1.248 -11.655 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 80 0.831 -11.370 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.632 -9.320 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.635 -10.348 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.959 -12.088 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.586 -10.876 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.858 -11.467 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.037 -13.015 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.762 -13.418 -12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.765 -12.095 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.073 -11.775 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.579 -10.560 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.545 -11.842 -12.085 1.00 0.00 H new ATOM 648 N ASP A 81 0.228 -9.587 -6.732 1.00 0.00 N ATOM 649 CA ASP A 81 -0.087 -8.537 -5.778 1.00 0.00 C ATOM 650 C ASP A 81 0.627 -7.248 -6.194 1.00 0.00 C ATOM 651 O ASP A 81 1.852 -7.220 -6.302 1.00 0.00 O ATOM 652 CB ASP A 81 0.388 -8.908 -4.372 1.00 0.00 C ATOM 653 CG ASP A 81 1.645 -9.779 -4.323 1.00 0.00 C ATOM 654 OD1 ASP A 81 1.486 -11.013 -4.450 1.00 0.00 O ATOM 655 OD2 ASP A 81 2.736 -9.192 -4.159 1.00 0.00 O ATOM 0 H ASP A 81 0.498 -10.477 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.169 -8.403 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.578 -7.990 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.419 -9.431 -3.859 1.00 0.00 H new ATOM 656 N ILE A 82 -0.170 -6.213 -6.412 1.00 0.00 N ATOM 657 CA ILE A 82 0.370 -4.924 -6.813 1.00 0.00 C ATOM 658 C ILE A 82 -0.155 -3.841 -5.869 1.00 0.00 C ATOM 659 O ILE A 82 -1.336 -3.830 -5.527 1.00 0.00 O ATOM 660 CB ILE A 82 0.071 -4.652 -8.288 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.076 -3.150 -8.581 1.00 0.00 C ATOM 662 CG2 ILE A 82 -1.242 -5.315 -8.712 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.270 -2.518 -8.223 1.00 0.00 C ATOM 0 H ILE A 82 -1.185 -6.240 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 82 1.457 -4.923 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 82 0.865 -5.099 -8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.871 -2.668 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.292 -2.982 -9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.432 -5.106 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.170 -6.392 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.060 -4.919 -8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.240 -1.450 -8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.060 -2.986 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.471 -2.666 -7.162 1.00 0.00 H new ATOM 664 N ILE A 83 0.749 -2.955 -5.475 1.00 0.00 N ATOM 665 CA ILE A 83 0.392 -1.870 -4.577 1.00 0.00 C ATOM 666 C ILE A 83 1.225 -0.634 -4.921 1.00 0.00 C ATOM 667 O ILE A 83 2.427 -0.600 -4.661 1.00 0.00 O ATOM 668 CB ILE A 83 0.523 -2.314 -3.119 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.494 -3.407 -2.784 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.417 -1.120 -2.170 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.189 -4.044 -1.427 1.00 0.00 C ATOM 0 H ILE A 83 1.728 -2.967 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.655 -1.596 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 83 1.514 -2.746 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.498 -2.983 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.480 -4.172 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.513 -1.464 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.212 -0.408 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.550 -0.635 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.927 -4.817 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.806 -4.488 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.228 -3.281 -0.650 1.00 0.00 H new ATOM 672 N VAL A 84 0.553 0.351 -5.500 1.00 0.00 N ATOM 673 CA VAL A 84 1.216 1.585 -5.882 1.00 0.00 C ATOM 674 C VAL A 84 1.072 2.608 -4.753 1.00 0.00 C ATOM 675 O VAL A 84 -0.024 3.099 -4.492 1.00 0.00 O ATOM 676 CB VAL A 84 0.662 2.087 -7.217 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.567 0.948 -8.234 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.697 2.765 -7.025 1.00 0.00 C ATOM 0 H VAL A 84 -0.444 0.319 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 84 2.282 1.414 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 84 1.356 2.830 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.170 1.332 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.558 0.528 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.096 0.172 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.069 3.113 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.403 2.052 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.588 3.614 -6.350 1.00 0.00 H new ATOM 679 N ILE A 85 2.196 2.897 -4.112 1.00 0.00 N ATOM 680 CA ILE A 85 2.208 3.852 -3.017 1.00 0.00 C ATOM 681 C ILE A 85 2.779 5.183 -3.512 1.00 0.00 C ATOM 682 O ILE A 85 3.687 5.202 -4.341 1.00 0.00 O ATOM 683 CB ILE A 85 2.951 3.275 -1.811 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.731 1.765 -1.702 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.561 4.005 -0.525 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.940 0.993 -2.236 1.00 0.00 C ATOM 0 H ILE A 85 3.104 2.487 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 85 1.193 4.049 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 85 4.019 3.435 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.553 1.494 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.839 1.483 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.104 3.575 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.812 5.062 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.489 3.900 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.757 -0.078 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.100 1.247 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.825 1.259 -1.659 1.00 0.00 H new ATOM 687 N ALA A 86 2.223 6.262 -2.983 1.00 0.00 N ATOM 688 CA ALA A 86 2.665 7.593 -3.361 1.00 0.00 C ATOM 689 C ALA A 86 3.793 8.036 -2.427 1.00 0.00 C ATOM 690 O ALA A 86 3.581 8.207 -1.228 1.00 0.00 O ATOM 691 CB ALA A 86 1.475 8.554 -3.333 1.00 0.00 C ATOM 0 H ALA A 86 1.470 6.242 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 86 3.059 7.591 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.807 9.553 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.714 8.212 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.055 8.583 -2.328 1.00 0.00 H new ATOM 692 N ARG A 87 4.969 8.208 -3.012 1.00 0.00 N ATOM 693 CA ARG A 87 6.132 8.626 -2.247 1.00 0.00 C ATOM 694 C ARG A 87 5.830 9.919 -1.486 1.00 0.00 C ATOM 695 O ARG A 87 4.669 10.297 -1.336 1.00 0.00 O ATOM 696 CB ARG A 87 7.340 8.850 -3.159 1.00 0.00 C ATOM 697 CG ARG A 87 8.647 8.546 -2.423 1.00 0.00 C ATOM 698 CD ARG A 87 9.475 7.509 -3.183 1.00 0.00 C ATOM 699 NE ARG A 87 10.607 7.053 -2.345 1.00 0.00 N ATOM 700 CZ ARG A 87 11.770 7.708 -2.233 1.00 0.00 C ATOM 0 H ARG A 87 5.142 8.066 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 87 6.367 7.830 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.258 8.213 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.348 9.882 -3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.225 9.463 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.427 8.178 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.848 6.660 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.849 7.940 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 87 10.494 6.186 -1.820 1.00 0.00 H new ATOM 701 N GLN A 88 6.893 10.561 -1.028 1.00 0.00 N ATOM 702 CA GLN A 88 6.757 11.804 -0.288 1.00 0.00 C ATOM 703 C GLN A 88 6.568 12.977 -1.250 1.00 0.00 C ATOM 704 O GLN A 88 5.606 13.735 -1.131 1.00 0.00 O ATOM 705 CB GLN A 88 7.962 12.032 0.627 1.00 0.00 C ATOM 706 CG GLN A 88 7.516 12.278 2.070 1.00 0.00 C ATOM 707 CD GLN A 88 8.069 13.605 2.595 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.942 14.648 1.977 1.00 0.00 O ATOM 709 NE2 GLN A 88 8.687 13.506 3.769 1.00 0.00 N ATOM 0 H GLN A 88 7.854 10.244 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 88 5.872 11.733 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.621 11.165 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.538 12.886 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.427 12.288 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.858 11.461 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.758 12.601 4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.090 14.336 4.205 1.00 0.00 H new ATOM 710 N PRO A 89 7.526 13.095 -2.208 1.00 0.00 N ATOM 711 CA PRO A 89 7.476 14.165 -3.190 1.00 0.00 C ATOM 712 C PRO A 89 6.405 13.887 -4.248 1.00 0.00 C ATOM 713 O PRO A 89 6.259 14.647 -5.203 1.00 0.00 O ATOM 714 CB PRO A 89 8.879 14.233 -3.771 1.00 0.00 C ATOM 715 CG PRO A 89 9.536 12.905 -3.432 1.00 0.00 C ATOM 716 CD PRO A 89 8.680 12.217 -2.380 1.00 0.00 C ATOM 0 HA PRO A 89 7.193 15.123 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.848 14.389 -4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.438 15.066 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.620 12.282 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.547 13.064 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.376 11.222 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.226 12.093 -1.445 1.00 0.00 H new ATOM 717 N ALA A 90 5.683 12.796 -4.039 1.00 0.00 N ATOM 718 CA ALA A 90 4.629 12.408 -4.963 1.00 0.00 C ATOM 719 C ALA A 90 3.581 13.521 -5.030 1.00 0.00 C ATOM 720 O ALA A 90 2.760 13.550 -5.946 1.00 0.00 O ATOM 721 CB ALA A 90 4.031 11.071 -4.523 1.00 0.00 C ATOM 0 H ALA A 90 5.806 12.169 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 90 5.030 12.271 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.241 10.780 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.809 10.308 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.616 11.171 -3.520 1.00 0.00 H new ATOM 722 N LYS A 91 3.645 14.409 -4.050 1.00 0.00 N ATOM 723 CA LYS A 91 2.712 15.522 -3.986 1.00 0.00 C ATOM 724 C LYS A 91 2.814 16.342 -5.275 1.00 0.00 C ATOM 725 O LYS A 91 1.820 16.535 -5.973 1.00 0.00 O ATOM 726 CB LYS A 91 2.941 16.342 -2.715 1.00 0.00 C ATOM 727 CG LYS A 91 2.704 17.832 -2.974 1.00 0.00 C ATOM 728 CD LYS A 91 1.271 18.086 -3.445 1.00 0.00 C ATOM 729 CE LYS A 91 0.672 19.308 -2.745 1.00 0.00 C ATOM 730 NZ LYS A 91 0.761 20.499 -3.617 1.00 0.00 N ATOM 0 H LYS A 91 4.328 14.381 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 91 1.687 15.157 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.271 15.995 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.959 16.189 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.897 18.398 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.407 18.190 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.261 18.239 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.657 17.209 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.370 19.114 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.200 19.494 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.350 21.319 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.758 20.692 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.237 20.324 -4.498 1.00 0.00 H new ATOM 731 N ASP A 92 4.025 16.803 -5.550 1.00 0.00 N ATOM 732 CA ASP A 92 4.271 17.597 -6.742 1.00 0.00 C ATOM 733 C ASP A 92 3.631 16.909 -7.949 1.00 0.00 C ATOM 734 O ASP A 92 3.208 17.574 -8.894 1.00 0.00 O ATOM 735 CB ASP A 92 5.770 17.733 -7.014 1.00 0.00 C ATOM 736 CG ASP A 92 6.628 18.026 -5.783 1.00 0.00 C ATOM 737 OD1 ASP A 92 6.077 18.632 -4.839 1.00 0.00 O ATOM 738 OD2 ASP A 92 7.816 17.638 -5.812 1.00 0.00 O ATOM 0 H ASP A 92 4.847 16.642 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 92 3.843 18.587 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 92 6.125 16.811 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.921 18.531 -7.741 1.00 0.00 H new ATOM 739 N MET A 93 3.579 15.588 -7.878 1.00 0.00 N ATOM 740 CA MET A 93 2.997 14.802 -8.954 1.00 0.00 C ATOM 741 C MET A 93 1.481 14.686 -8.788 1.00 0.00 C ATOM 742 O MET A 93 0.996 14.303 -7.724 1.00 0.00 O ATOM 743 CB MET A 93 3.620 13.404 -8.960 1.00 0.00 C ATOM 744 CG MET A 93 2.921 12.498 -9.974 1.00 0.00 C ATOM 745 SD MET A 93 2.737 10.855 -9.301 1.00 0.00 S ATOM 746 CE MET A 93 2.047 11.250 -7.704 1.00 0.00 C ATOM 0 H MET A 93 3.930 15.041 -7.092 1.00 0.00 H new ATOM 0 HA MET A 93 3.203 15.304 -9.899 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.681 13.475 -9.201 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.548 12.965 -7.965 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.943 12.908 -10.227 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.498 12.459 -10.898 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.472 10.400 -7.336 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.853 11.473 -7.005 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.394 12.118 -7.794 1.00 0.00 H new ATOM 747 N THR A 94 0.773 15.020 -9.857 1.00 0.00 N ATOM 748 CA THR A 94 -0.678 14.958 -9.845 1.00 0.00 C ATOM 749 C THR A 94 -1.178 13.966 -10.897 1.00 0.00 C ATOM 750 O THR A 94 -0.387 13.241 -11.498 1.00 0.00 O ATOM 751 CB THR A 94 -1.215 16.377 -10.043 1.00 0.00 C ATOM 752 OG1 THR A 94 -0.431 16.898 -11.113 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.890 17.295 -8.863 1.00 0.00 C ATOM 0 H THR A 94 1.178 15.335 -10.738 1.00 0.00 H new ATOM 0 HA THR A 94 -1.050 14.586 -8.890 1.00 0.00 H new ATOM 0 HB THR A 94 -2.295 16.340 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.714 17.816 -11.309 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.293 18.290 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.336 16.891 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.191 17.359 -8.739 1.00 0.00 H new ATOM 754 N THR A 95 -2.489 13.967 -11.088 1.00 0.00 N ATOM 755 CA THR A 95 -3.104 13.077 -12.058 1.00 0.00 C ATOM 756 C THR A 95 -2.459 13.258 -13.432 1.00 0.00 C ATOM 757 O THR A 95 -2.631 12.422 -14.318 1.00 0.00 O ATOM 758 CB THR A 95 -4.611 13.343 -12.054 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.101 12.554 -10.972 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.311 12.763 -13.285 1.00 0.00 C ATOM 0 H THR A 95 -3.142 14.570 -10.588 1.00 0.00 H new ATOM 0 HA THR A 95 -2.943 12.032 -11.794 1.00 0.00 H new ATOM 0 HB THR A 95 -4.789 14.417 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.742 11.895 -11.312 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.378 12.980 -13.233 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.893 13.212 -14.186 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.161 11.684 -13.314 1.00 0.00 H new ATOM 761 N LEU A 96 -1.729 14.355 -13.568 1.00 0.00 N ATOM 762 CA LEU A 96 -1.057 14.656 -14.821 1.00 0.00 C ATOM 763 C LEU A 96 0.354 14.062 -14.793 1.00 0.00 C ATOM 764 O LEU A 96 0.788 13.442 -15.762 1.00 0.00 O ATOM 765 CB LEU A 96 -1.085 16.161 -15.095 1.00 0.00 C ATOM 766 CG LEU A 96 -0.654 16.595 -16.498 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.860 16.804 -16.567 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.145 15.602 -17.553 1.00 0.00 C ATOM 0 H LEU A 96 -1.588 15.046 -12.831 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.582 14.193 -15.656 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.098 16.524 -14.919 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.439 16.655 -14.369 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.121 17.555 -16.717 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.139 17.112 -17.575 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.153 17.577 -15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.368 15.872 -16.319 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.826 15.933 -18.541 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.727 14.617 -17.348 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.233 15.547 -17.523 1.00 0.00 H new ATOM 769 N GLN A 97 1.029 14.273 -13.673 1.00 0.00 N ATOM 770 CA GLN A 97 2.380 13.766 -13.507 1.00 0.00 C ATOM 771 C GLN A 97 2.350 12.274 -13.175 1.00 0.00 C ATOM 772 O GLN A 97 3.378 11.600 -13.232 1.00 0.00 O ATOM 773 CB GLN A 97 3.132 14.552 -12.431 1.00 0.00 C ATOM 774 CG GLN A 97 2.941 16.058 -12.618 1.00 0.00 C ATOM 775 CD GLN A 97 4.010 16.845 -11.855 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.158 16.446 -11.754 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.568 17.983 -11.326 1.00 0.00 N ATOM 0 H GLN A 97 0.665 14.788 -12.871 1.00 0.00 H new ATOM 0 HA GLN A 97 2.915 13.898 -14.448 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.776 14.256 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.194 14.308 -12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.990 16.306 -13.678 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.951 16.349 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.593 18.258 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.204 18.581 -10.798 1.00 0.00 H new ATOM 778 N ILE A 98 1.160 11.799 -12.837 1.00 0.00 N ATOM 779 CA ILE A 98 0.982 10.398 -12.496 1.00 0.00 C ATOM 780 C ILE A 98 1.275 9.536 -13.727 1.00 0.00 C ATOM 781 O ILE A 98 2.107 8.633 -13.673 1.00 0.00 O ATOM 782 CB ILE A 98 -0.406 10.164 -11.898 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.304 9.659 -10.456 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.231 9.222 -12.777 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.682 10.759 -9.463 1.00 0.00 C ATOM 0 H ILE A 98 0.309 12.360 -12.792 1.00 0.00 H new ATOM 0 HA ILE A 98 1.691 10.102 -11.723 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.930 11.119 -11.869 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.961 8.800 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.712 9.318 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.213 9.073 -12.329 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.347 9.659 -13.769 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.721 8.262 -12.861 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.601 10.375 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.008 11.607 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.707 11.081 -9.649 1.00 0.00 H new ATOM 786 N GLN A 99 0.573 9.847 -14.807 1.00 0.00 N ATOM 787 CA GLN A 99 0.747 9.114 -16.049 1.00 0.00 C ATOM 788 C GLN A 99 2.215 9.137 -16.478 1.00 0.00 C ATOM 789 O GLN A 99 2.640 8.320 -17.294 1.00 0.00 O ATOM 790 CB GLN A 99 -0.156 9.677 -17.149 1.00 0.00 C ATOM 791 CG GLN A 99 -1.610 9.255 -16.934 1.00 0.00 C ATOM 792 CD GLN A 99 -2.569 10.398 -17.275 1.00 0.00 C ATOM 793 OE1 GLN A 99 -2.739 10.778 -18.422 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.184 10.922 -16.218 1.00 0.00 N ATOM 0 H GLN A 99 -0.117 10.597 -14.847 1.00 0.00 H new ATOM 0 HA GLN A 99 0.455 8.077 -15.881 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.087 10.765 -17.160 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.188 9.326 -18.122 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.836 8.388 -17.555 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.755 8.951 -15.897 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.995 10.556 -15.285 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.844 11.690 -16.341 1.00 0.00 H new ATOM 795 N ASN A 100 2.949 10.082 -15.910 1.00 0.00 N ATOM 796 CA ASN A 100 4.361 10.223 -16.224 1.00 0.00 C ATOM 797 C ASN A 100 5.182 9.366 -15.258 1.00 0.00 C ATOM 798 O ASN A 100 6.344 9.065 -15.523 1.00 0.00 O ATOM 799 CB ASN A 100 4.817 11.675 -16.072 1.00 0.00 C ATOM 800 CG ASN A 100 4.994 12.341 -17.438 1.00 0.00 C ATOM 801 OD1 ASN A 100 5.588 11.791 -18.352 1.00 0.00 O ATOM 802 ND2 ASN A 100 4.448 13.550 -17.527 1.00 0.00 N ATOM 0 H ASN A 100 2.593 10.758 -15.234 1.00 0.00 H new ATOM 0 HA ASN A 100 4.510 9.904 -17.256 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.085 12.230 -15.485 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.758 11.709 -15.523 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.512 14.076 -18.399 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.965 13.952 -16.724 1.00 0.00 H new ATOM 803 N SER A 101 4.544 8.996 -14.157 1.00 0.00 N ATOM 804 CA SER A 101 5.201 8.180 -13.150 1.00 0.00 C ATOM 805 C SER A 101 4.811 6.712 -13.331 1.00 0.00 C ATOM 806 O SER A 101 5.676 5.842 -13.408 1.00 0.00 O ATOM 807 CB SER A 101 4.845 8.654 -11.739 1.00 0.00 C ATOM 808 OG SER A 101 5.991 9.103 -11.022 1.00 0.00 O ATOM 0 H SER A 101 3.579 9.246 -13.940 1.00 0.00 H new ATOM 0 HA SER A 101 6.279 8.281 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.117 9.462 -11.801 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.371 7.839 -11.192 1.00 0.00 H new ATOM 0 HG SER A 101 5.722 9.398 -10.127 1.00 0.00 H new ATOM 809 N LEU A 102 3.508 6.482 -13.395 1.00 0.00 N ATOM 810 CA LEU A 102 2.992 5.134 -13.567 1.00 0.00 C ATOM 811 C LEU A 102 3.641 4.498 -14.798 1.00 0.00 C ATOM 812 O LEU A 102 3.751 3.277 -14.884 1.00 0.00 O ATOM 813 CB LEU A 102 1.464 5.147 -13.613 1.00 0.00 C ATOM 814 CG LEU A 102 0.750 4.745 -12.321 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.168 5.866 -11.830 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.003 3.425 -12.498 1.00 0.00 C ATOM 0 H LEU A 102 2.793 7.207 -13.331 1.00 0.00 H new ATOM 0 HA LEU A 102 3.255 4.512 -12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.137 6.150 -13.888 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.139 4.476 -14.408 1.00 0.00 H new ATOM 0 HG LEU A 102 1.504 4.585 -11.550 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.663 5.554 -10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.422 6.762 -11.638 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.918 6.082 -12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.501 3.162 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.746 3.533 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.701 2.638 -12.767 1.00 0.00 H new ATOM 817 N GLU A 103 4.052 5.356 -15.720 1.00 0.00 N ATOM 818 CA GLU A 103 4.685 4.893 -16.944 1.00 0.00 C ATOM 819 C GLU A 103 6.109 4.413 -16.654 1.00 0.00 C ATOM 820 O GLU A 103 6.823 3.994 -17.564 1.00 0.00 O ATOM 821 CB GLU A 103 4.682 5.988 -18.012 1.00 0.00 C ATOM 822 CG GLU A 103 3.639 5.698 -19.092 1.00 0.00 C ATOM 823 CD GLU A 103 4.181 6.033 -20.483 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.645 7.182 -20.650 1.00 0.00 O ATOM 825 OE2 GLU A 103 4.122 5.132 -21.347 1.00 0.00 O ATOM 0 H GLU A 103 3.959 6.369 -15.644 1.00 0.00 H new ATOM 0 HA GLU A 103 4.110 4.052 -17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.472 6.952 -17.549 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.670 6.061 -18.466 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.353 4.647 -19.053 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.739 6.281 -18.899 1.00 0.00 H new ATOM 826 N HIS A 104 6.479 4.490 -15.385 1.00 0.00 N ATOM 827 CA HIS A 104 7.805 4.068 -14.965 1.00 0.00 C ATOM 828 C HIS A 104 7.685 3.085 -13.799 1.00 0.00 C ATOM 829 O HIS A 104 7.854 1.880 -13.979 1.00 0.00 O ATOM 830 CB HIS A 104 8.679 5.278 -14.632 1.00 0.00 C ATOM 831 CG HIS A 104 9.997 4.925 -13.983 1.00 0.00 C ATOM 832 ND1 HIS A 104 11.166 5.620 -14.233 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.314 3.944 -13.090 1.00 0.00 C ATOM 834 CE1 HIS A 104 12.139 5.072 -13.519 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.609 4.034 -12.812 1.00 0.00 N ATOM 0 H HIS A 104 5.884 4.838 -14.633 1.00 0.00 H new ATOM 0 HA HIS A 104 8.302 3.548 -15.784 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.875 5.835 -15.548 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.125 5.941 -13.968 1.00 0.00 H new ATOM 0 HD1 HIS A 104 11.263 6.419 -14.860 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.628 3.218 -12.679 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.170 5.392 -13.501 1.00 0.00 H new ATOM 836 N VAL A 105 7.395 3.635 -12.629 1.00 0.00 N ATOM 837 CA VAL A 105 7.251 2.822 -11.434 1.00 0.00 C ATOM 838 C VAL A 105 6.533 1.518 -11.793 1.00 0.00 C ATOM 839 O VAL A 105 7.047 0.432 -11.532 1.00 0.00 O ATOM 840 CB VAL A 105 6.533 3.617 -10.343 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.037 3.736 -10.643 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.767 2.994 -8.965 1.00 0.00 C ATOM 0 H VAL A 105 7.256 4.635 -12.483 1.00 0.00 H new ATOM 0 HA VAL A 105 8.229 2.556 -11.033 1.00 0.00 H new ATOM 0 HB VAL A 105 6.953 4.623 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.551 4.306 -9.851 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.896 4.246 -11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.596 2.741 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.245 3.579 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.388 1.972 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.835 2.986 -8.746 1.00 0.00 H new ATOM 843 N LEU A 106 5.359 1.671 -12.387 1.00 0.00 N ATOM 844 CA LEU A 106 4.567 0.519 -12.785 1.00 0.00 C ATOM 845 C LEU A 106 5.292 -0.231 -13.904 1.00 0.00 C ATOM 846 O LEU A 106 5.313 -1.461 -13.919 1.00 0.00 O ATOM 847 CB LEU A 106 3.145 0.949 -13.153 1.00 0.00 C ATOM 848 CG LEU A 106 2.622 0.450 -14.501 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.728 -1.073 -14.601 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.195 0.943 -14.753 1.00 0.00 C ATOM 0 H LEU A 106 4.937 2.574 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 106 4.460 -0.176 -11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.468 0.602 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.104 2.038 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 106 3.251 0.869 -15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.349 -1.401 -15.569 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.771 -1.373 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.139 -1.532 -13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.848 0.574 -15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.538 0.574 -13.965 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.182 2.033 -14.755 1.00 0.00 H new ATOM 851 N LYS A 107 5.869 0.540 -14.813 1.00 0.00 N ATOM 852 CA LYS A 107 6.593 -0.037 -15.933 1.00 0.00 C ATOM 853 C LYS A 107 7.701 -0.948 -15.404 1.00 0.00 C ATOM 854 O LYS A 107 8.228 -1.782 -16.139 1.00 0.00 O ATOM 855 CB LYS A 107 7.097 1.063 -16.869 1.00 0.00 C ATOM 856 CG LYS A 107 8.180 0.530 -17.809 1.00 0.00 C ATOM 857 CD LYS A 107 8.103 1.212 -19.178 1.00 0.00 C ATOM 858 CE LYS A 107 9.239 0.742 -20.088 1.00 0.00 C ATOM 859 NZ LYS A 107 9.743 1.865 -20.909 1.00 0.00 N ATOM 0 H LYS A 107 5.850 1.560 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 107 5.930 -0.658 -16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.266 1.457 -17.453 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.495 1.891 -16.282 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.163 0.699 -17.370 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.065 -0.547 -17.928 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.143 0.991 -19.645 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.156 2.294 -19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.049 0.332 -19.486 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.886 -0.060 -20.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.514 1.529 -21.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.971 2.238 -21.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.099 2.618 -20.286 1.00 0.00 H new ATOM 860 N ILE A 108 8.021 -0.760 -14.132 1.00 0.00 N ATOM 861 CA ILE A 108 9.056 -1.556 -13.494 1.00 0.00 C ATOM 862 C ILE A 108 8.410 -2.729 -12.756 1.00 0.00 C ATOM 863 O ILE A 108 8.941 -3.839 -12.762 1.00 0.00 O ATOM 864 CB ILE A 108 9.936 -0.676 -12.603 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.521 0.496 -13.395 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.024 -1.505 -11.917 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.835 0.974 -12.774 1.00 0.00 C ATOM 0 H ILE A 108 7.581 -0.068 -13.526 1.00 0.00 H new ATOM 0 HA ILE A 108 9.725 -1.981 -14.242 1.00 0.00 H new ATOM 0 HB ILE A 108 9.311 -0.252 -11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.692 0.193 -14.428 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.805 1.318 -13.418 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.635 -0.856 -11.290 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.560 -2.274 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.653 -1.976 -12.672 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.230 1.807 -13.355 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.656 1.299 -11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.556 0.157 -12.775 1.00 0.00 H new ATOM 868 N ALA A 109 7.275 -2.443 -12.136 1.00 0.00 N ATOM 869 CA ALA A 109 6.551 -3.462 -11.394 1.00 0.00 C ATOM 870 C ALA A 109 6.376 -4.700 -12.274 1.00 0.00 C ATOM 871 O ALA A 109 6.501 -5.827 -11.798 1.00 0.00 O ATOM 872 CB ALA A 109 5.213 -2.891 -10.918 1.00 0.00 C ATOM 0 H ALA A 109 6.839 -1.521 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 109 7.111 -3.764 -10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.669 -3.654 -10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.393 -2.031 -10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.623 -2.581 -11.780 1.00 0.00 H new ATOM 873 N LYS A 110 6.089 -4.450 -13.543 1.00 0.00 N ATOM 874 CA LYS A 110 5.895 -5.532 -14.494 1.00 0.00 C ATOM 875 C LYS A 110 4.496 -6.124 -14.309 1.00 0.00 C ATOM 876 O LYS A 110 4.296 -7.322 -14.499 1.00 0.00 O ATOM 877 CB LYS A 110 7.020 -6.561 -14.370 1.00 0.00 C ATOM 878 CG LYS A 110 7.121 -7.417 -15.635 1.00 0.00 C ATOM 879 CD LYS A 110 8.408 -7.112 -16.402 1.00 0.00 C ATOM 880 CE LYS A 110 8.911 -8.352 -17.144 1.00 0.00 C ATOM 881 NZ LYS A 110 9.453 -7.979 -18.470 1.00 0.00 N ATOM 0 H LYS A 110 5.986 -3.514 -13.935 1.00 0.00 H new ATOM 0 HA LYS A 110 5.949 -5.156 -15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.967 -6.051 -14.195 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.839 -7.201 -13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.095 -8.473 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.259 -7.229 -16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.229 -6.306 -17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.174 -6.762 -15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.683 -8.847 -16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.096 -9.066 -17.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.790 -8.832 -18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.706 -7.527 -19.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.244 -7.315 -18.347 1.00 0.00 H new ATOM 882 N VAL A 111 3.565 -5.256 -13.941 1.00 0.00 N ATOM 883 CA VAL A 111 2.192 -5.678 -13.728 1.00 0.00 C ATOM 884 C VAL A 111 1.475 -5.765 -15.077 1.00 0.00 C ATOM 885 O VAL A 111 0.275 -6.029 -15.130 1.00 0.00 O ATOM 886 CB VAL A 111 1.500 -4.732 -12.743 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.067 -4.901 -11.333 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.610 -3.279 -13.209 1.00 0.00 C ATOM 0 H VAL A 111 3.735 -4.262 -13.785 1.00 0.00 H new ATOM 0 HA VAL A 111 2.163 -6.671 -13.279 1.00 0.00 H new ATOM 0 HB VAL A 111 0.442 -4.994 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.559 -4.218 -10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.913 -5.927 -10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.134 -4.678 -11.341 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.110 -2.628 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.661 -2.999 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.137 -3.173 -14.185 1.00 0.00 H new ATOM 889 N PHE A 112 2.241 -5.537 -16.134 1.00 0.00 N ATOM 890 CA PHE A 112 1.694 -5.587 -17.478 1.00 0.00 C ATOM 891 C PHE A 112 2.538 -6.488 -18.382 1.00 0.00 C ATOM 892 O PHE A 112 3.739 -6.267 -18.538 1.00 0.00 O ATOM 893 CB PHE A 112 1.727 -4.159 -18.028 1.00 0.00 C ATOM 894 CG PHE A 112 3.116 -3.520 -18.015 1.00 0.00 C ATOM 895 CD1 PHE A 112 3.732 -3.253 -16.831 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.738 -3.218 -19.187 1.00 0.00 C ATOM 897 CE1 PHE A 112 5.021 -2.659 -16.818 1.00 0.00 C ATOM 898 CE2 PHE A 112 5.028 -2.624 -19.174 1.00 0.00 C ATOM 899 CZ PHE A 112 5.643 -2.358 -17.990 1.00 0.00 C ATOM 0 H PHE A 112 3.236 -5.317 -16.086 1.00 0.00 H new ATOM 0 HA PHE A 112 0.682 -5.990 -17.452 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.351 -4.166 -19.051 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.048 -3.539 -17.443 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.239 -3.493 -15.900 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.251 -3.430 -20.127 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.508 -2.446 -15.878 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.521 -2.383 -20.104 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.625 -1.908 -17.980 1.00 0.00 H new ATOM 900 N ASN A 113 1.879 -7.486 -18.952 1.00 0.00 N ATOM 901 CA ASN A 113 2.554 -8.420 -19.836 1.00 0.00 C ATOM 902 C ASN A 113 3.200 -7.651 -20.990 1.00 0.00 C ATOM 903 O ASN A 113 4.364 -7.873 -21.315 1.00 0.00 O ATOM 904 CB ASN A 113 1.567 -9.427 -20.432 1.00 0.00 C ATOM 905 CG ASN A 113 0.343 -8.716 -21.011 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.352 -8.213 -22.122 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.710 -8.703 -20.198 1.00 0.00 N ATOM 0 H ASN A 113 0.884 -7.668 -18.819 1.00 0.00 H new ATOM 0 HA ASN A 113 3.304 -8.953 -19.252 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.059 -10.006 -21.213 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.253 -10.133 -19.663 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.577 -8.253 -20.493 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.651 -9.143 -19.280 1.00 0.00 H new