USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 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 93 MET CE :methyl -177:sc= -11! (180deg=-11.6!) USER MOD Set 1.2: A 101 SER OG : rot 57:sc= 0.364 USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= -1.35 USER MOD Set 2.2: A 97 GLN : amide:sc= -0.0324 K(o=-1.4,f=-2.4) USER MOD Set 3.1: A 69 ASN : amide:sc= -2.54 K(o=-8.8,f=-11!) USER MOD Set 3.2: A 73 HIS : no HE2:sc= -6.24 K(o=-8.8,f=-9.7!) USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 80 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00729) USER MOD Set 5.1: A 20 LYS NZ :NH3+ -151:sc= -0.0274 (180deg=0) USER MOD Set 5.2: A 21 LYS NZ :NH3+ 166:sc=-0.00239 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.9!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.65 X(o=-0.65,f=-0.27) USER MOD Single : A 24 SER OG : rot 178:sc= 0.127 USER MOD Single : A 27 ASN : amide:sc= -10.9! C(o=-11!,f=-30!) USER MOD Single : A 29 GLN : amide:sc= -5.92! C(o=-5.9!,f=-10!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 48 SER OG : rot 13:sc= 0.0352 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= -0.125 X(o=-0.13,f=-0.47) USER MOD Single : A 60 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.059) 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 :FLIP no HD1:sc= -7.66! C(o=-9.4!,f=-7.7!) USER MOD Single : A 88 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -170:sc= -0.43 USER MOD Single : A 99 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.4!) USER MOD Single : A 100 ASN : amide:sc= -0.0555 X(o=-0.055,f=-0.38) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -4.32! C(o=-6.3!,f=-4.3!) 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= -4.12! C(o=-4.1!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -8.225 -9.969 -5.503 1.00 0.00 N ATOM 49 CA TYR A 7 -7.188 -9.097 -6.029 1.00 0.00 C ATOM 50 C TYR A 7 -7.202 -7.741 -5.322 1.00 0.00 C ATOM 51 O TYR A 7 -6.769 -6.738 -5.888 1.00 0.00 O ATOM 52 CB TYR A 7 -7.519 -8.892 -7.508 1.00 0.00 C ATOM 53 CG TYR A 7 -8.858 -8.195 -7.755 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.657 -7.837 -6.687 1.00 0.00 C ATOM 55 CD2 TYR A 7 -9.269 -7.925 -9.044 1.00 0.00 C ATOM 56 CE1 TYR A 7 -10.917 -7.181 -6.920 1.00 0.00 C ATOM 57 CE2 TYR A 7 -10.530 -7.269 -9.277 1.00 0.00 C ATOM 58 CZ TYR A 7 -11.291 -6.928 -8.203 1.00 0.00 C ATOM 0 HA TYR A 7 -6.203 -9.538 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.725 -8.305 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.529 -9.862 -8.005 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.337 -8.049 -5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.645 -8.206 -9.879 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.552 -6.896 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.863 -7.053 -10.281 1.00 0.00 H new ATOM 59 N ARG A 8 -7.703 -7.753 -4.096 1.00 0.00 N ATOM 60 CA ARG A 8 -7.779 -6.536 -3.306 1.00 0.00 C ATOM 61 C ARG A 8 -7.167 -6.762 -1.922 1.00 0.00 C ATOM 62 O ARG A 8 -6.860 -7.895 -1.553 1.00 0.00 O ATOM 63 CB ARG A 8 -9.228 -6.074 -3.145 1.00 0.00 C ATOM 64 CG ARG A 8 -9.335 -4.551 -3.268 1.00 0.00 C ATOM 65 CD ARG A 8 -9.814 -4.146 -4.663 1.00 0.00 C ATOM 66 NE ARG A 8 -10.532 -2.854 -4.596 1.00 0.00 N ATOM 67 CZ ARG A 8 -11.822 -2.730 -4.254 1.00 0.00 C ATOM 0 H ARG A 8 -8.061 -8.587 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.219 -5.763 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.851 -6.548 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.609 -6.392 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.027 -4.170 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.365 -4.097 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.963 -4.064 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.470 -4.916 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.013 -2.006 -4.824 1.00 0.00 H new ATOM 68 N ILE A 9 -7.006 -5.667 -1.195 1.00 0.00 N ATOM 69 CA ILE A 9 -6.436 -5.731 0.140 1.00 0.00 C ATOM 70 C ILE A 9 -7.259 -4.852 1.084 1.00 0.00 C ATOM 71 O ILE A 9 -7.286 -3.631 0.936 1.00 0.00 O ATOM 72 CB ILE A 9 -4.949 -5.372 0.105 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.163 -6.374 -0.742 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.381 -5.248 1.520 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.661 -6.093 -0.671 1.00 0.00 C ATOM 0 H ILE A 9 -7.260 -4.729 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.486 -6.749 0.527 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.845 -4.397 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.364 -7.387 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.498 -6.321 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.323 -4.992 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.916 -4.467 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.499 -6.197 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.126 -6.820 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.461 -5.088 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.325 -6.170 0.363 1.00 0.00 H new ATOM 76 N LYS A 10 -7.909 -5.508 2.035 1.00 0.00 N ATOM 77 CA LYS A 10 -8.731 -4.801 3.003 1.00 0.00 C ATOM 78 C LYS A 10 -8.376 -5.281 4.412 1.00 0.00 C ATOM 79 O LYS A 10 -9.030 -4.903 5.383 1.00 0.00 O ATOM 80 CB LYS A 10 -10.214 -4.949 2.658 1.00 0.00 C ATOM 81 CG LYS A 10 -10.667 -3.845 1.701 1.00 0.00 C ATOM 82 CD LYS A 10 -11.688 -2.923 2.372 1.00 0.00 C ATOM 83 CE LYS A 10 -12.307 -1.960 1.358 1.00 0.00 C ATOM 84 NZ LYS A 10 -12.815 -0.747 2.037 1.00 0.00 N ATOM 0 H LYS A 10 -7.883 -6.521 2.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.526 -3.731 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.390 -5.924 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.809 -4.911 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.804 -3.263 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.105 -4.290 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.472 -3.520 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.204 -2.357 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.563 -1.681 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.121 -2.455 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.232 -0.104 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.540 -1.016 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.031 -0.267 2.523 1.00 0.00 H new ATOM 85 N LYS A 11 -7.343 -6.108 4.479 1.00 0.00 N ATOM 86 CA LYS A 11 -6.894 -6.643 5.753 1.00 0.00 C ATOM 87 C LYS A 11 -5.485 -6.125 6.051 1.00 0.00 C ATOM 88 O LYS A 11 -4.952 -5.302 5.308 1.00 0.00 O ATOM 89 CB LYS A 11 -7.004 -8.169 5.761 1.00 0.00 C ATOM 90 CG LYS A 11 -8.381 -8.617 6.254 1.00 0.00 C ATOM 91 CD LYS A 11 -8.316 -9.087 7.709 1.00 0.00 C ATOM 92 CE LYS A 11 -9.272 -8.280 8.589 1.00 0.00 C ATOM 93 NZ LYS A 11 -10.417 -9.117 9.014 1.00 0.00 N ATOM 0 H LYS A 11 -6.804 -6.421 3.671 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.538 -6.296 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.830 -8.555 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.230 -8.590 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.089 -7.793 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.752 -9.425 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.571 -10.145 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.297 -8.984 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.742 -7.907 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.634 -7.410 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.056 -8.554 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.932 -9.452 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.068 -9.934 9.555 1.00 0.00 H new ATOM 94 N ASN A 12 -4.922 -6.630 7.139 1.00 0.00 N ATOM 95 CA ASN A 12 -3.586 -6.230 7.544 1.00 0.00 C ATOM 96 C ASN A 12 -2.572 -7.249 7.020 1.00 0.00 C ATOM 97 O ASN A 12 -1.556 -6.875 6.434 1.00 0.00 O ATOM 98 CB ASN A 12 -3.462 -6.182 9.068 1.00 0.00 C ATOM 99 CG ASN A 12 -3.786 -7.543 9.687 1.00 0.00 C ATOM 100 OD1 ASN A 12 -2.946 -8.422 9.791 1.00 0.00 O ATOM 101 ND2 ASN A 12 -5.047 -7.669 10.090 1.00 0.00 N ATOM 0 H ASN A 12 -5.367 -7.313 7.752 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.394 -5.238 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.451 -5.884 9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.138 -5.426 9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.362 -8.541 10.516 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.700 -6.894 9.973 1.00 0.00 H new ATOM 102 N ALA A 13 -2.881 -8.516 7.249 1.00 0.00 N ATOM 103 CA ALA A 13 -2.010 -9.591 6.807 1.00 0.00 C ATOM 104 C ALA A 13 -1.723 -9.428 5.313 1.00 0.00 C ATOM 105 O ALA A 13 -0.605 -9.673 4.861 1.00 0.00 O ATOM 106 CB ALA A 13 -2.656 -10.940 7.134 1.00 0.00 C ATOM 0 H ALA A 13 -3.723 -8.823 7.735 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.055 -9.552 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.002 -11.746 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.811 -11.018 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.616 -11.017 6.623 1.00 0.00 H new ATOM 107 N ASP A 14 -2.752 -9.015 4.587 1.00 0.00 N ATOM 108 CA ASP A 14 -2.624 -8.817 3.154 1.00 0.00 C ATOM 109 C ASP A 14 -1.708 -7.620 2.889 1.00 0.00 C ATOM 110 O ASP A 14 -1.085 -7.534 1.831 1.00 0.00 O ATOM 111 CB ASP A 14 -3.983 -8.523 2.515 1.00 0.00 C ATOM 112 CG ASP A 14 -4.893 -9.740 2.342 1.00 0.00 C ATOM 113 OD1 ASP A 14 -5.070 -10.465 3.345 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.393 -9.919 1.210 1.00 0.00 O ATOM 0 H ASP A 14 -3.678 -8.812 4.965 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.213 -9.730 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.502 -7.784 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.818 -8.070 1.537 1.00 0.00 H new ATOM 115 N PHE A 15 -1.655 -6.728 3.866 1.00 0.00 N ATOM 116 CA PHE A 15 -0.826 -5.540 3.752 1.00 0.00 C ATOM 117 C PHE A 15 0.569 -5.789 4.327 1.00 0.00 C ATOM 118 O PHE A 15 1.541 -5.166 3.902 1.00 0.00 O ATOM 119 CB PHE A 15 -1.510 -4.438 4.562 1.00 0.00 C ATOM 120 CG PHE A 15 -2.252 -3.407 3.708 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.706 -2.972 2.541 1.00 0.00 C ATOM 122 CD2 PHE A 15 -3.457 -2.927 4.116 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.394 -2.016 1.747 1.00 0.00 C ATOM 124 CE2 PHE A 15 -4.145 -1.971 3.322 1.00 0.00 C ATOM 125 CZ PHE A 15 -3.600 -1.535 2.155 1.00 0.00 C ATOM 0 H PHE A 15 -2.173 -6.804 4.741 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.714 -5.263 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.216 -4.896 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.760 -3.924 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.749 -3.354 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.891 -3.272 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.960 -1.671 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.102 -1.590 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.124 -0.808 1.552 1.00 0.00 H new ATOM 126 N GLN A 16 0.625 -6.700 5.288 1.00 0.00 N ATOM 127 CA GLN A 16 1.886 -7.038 5.927 1.00 0.00 C ATOM 128 C GLN A 16 2.680 -8.010 5.051 1.00 0.00 C ATOM 129 O GLN A 16 3.909 -7.963 5.024 1.00 0.00 O ATOM 130 CB GLN A 16 1.654 -7.622 7.322 1.00 0.00 C ATOM 131 CG GLN A 16 2.671 -8.722 7.632 1.00 0.00 C ATOM 132 CD GLN A 16 2.851 -8.892 9.142 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.184 -9.683 9.787 1.00 0.00 O ATOM 134 NE2 GLN A 16 3.788 -8.108 9.666 1.00 0.00 N ATOM 0 H GLN A 16 -0.183 -7.214 5.640 1.00 0.00 H new ATOM 0 HA GLN A 16 2.469 -6.124 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.729 -6.831 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.644 -8.027 7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.339 -9.663 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.629 -8.477 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.310 -7.468 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.985 -8.147 10.666 1.00 0.00 H new ATOM 135 N ARG A 17 1.946 -8.868 4.358 1.00 0.00 N ATOM 136 CA ARG A 17 2.568 -9.849 3.485 1.00 0.00 C ATOM 137 C ARG A 17 3.709 -9.207 2.693 1.00 0.00 C ATOM 138 O ARG A 17 4.880 -9.455 2.975 1.00 0.00 O ATOM 139 CB ARG A 17 1.548 -10.441 2.509 1.00 0.00 C ATOM 140 CG ARG A 17 1.078 -11.819 2.976 1.00 0.00 C ATOM 141 CD ARG A 17 1.587 -12.918 2.041 1.00 0.00 C ATOM 142 NE ARG A 17 2.778 -13.571 2.628 1.00 0.00 N ATOM 143 CZ ARG A 17 2.726 -14.510 3.583 1.00 0.00 C ATOM 0 H ARG A 17 0.927 -8.904 4.383 1.00 0.00 H new ATOM 0 HA ARG A 17 2.962 -10.649 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.692 -9.771 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.993 -10.521 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.435 -12.005 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.011 -11.843 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.803 -13.656 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.837 -12.493 1.069 1.00 0.00 H new ATOM 0 HE ARG A 17 3.696 -13.289 2.284 1.00 0.00 H new ATOM 144 N ILE A 18 3.327 -8.395 1.718 1.00 0.00 N ATOM 145 CA ILE A 18 4.303 -7.717 0.884 1.00 0.00 C ATOM 146 C ILE A 18 5.379 -7.090 1.772 1.00 0.00 C ATOM 147 O ILE A 18 6.567 -7.355 1.596 1.00 0.00 O ATOM 148 CB ILE A 18 3.612 -6.716 -0.044 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.381 -6.104 0.629 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.270 -7.359 -1.389 1.00 0.00 C ATOM 151 CD1 ILE A 18 1.092 -6.690 0.048 1.00 0.00 C ATOM 0 H ILE A 18 2.354 -8.192 1.487 1.00 0.00 H new ATOM 0 HA ILE A 18 4.805 -8.430 0.229 1.00 0.00 H new ATOM 0 HB ILE A 18 4.308 -5.901 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.418 -6.290 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.387 -5.023 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.780 -6.625 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.185 -7.706 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.601 -8.205 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.232 -6.239 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.047 -6.481 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.078 -7.768 0.208 1.00 0.00 H new ATOM 152 N TYR A 19 4.925 -6.270 2.709 1.00 0.00 N ATOM 153 CA TYR A 19 5.834 -5.604 3.626 1.00 0.00 C ATOM 154 C TYR A 19 6.679 -6.620 4.396 1.00 0.00 C ATOM 155 O TYR A 19 7.668 -6.258 5.032 1.00 0.00 O ATOM 156 CB TYR A 19 4.952 -4.839 4.613 1.00 0.00 C ATOM 157 CG TYR A 19 4.548 -3.442 4.135 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.164 -3.246 2.824 1.00 0.00 C ATOM 159 CD2 TYR A 19 4.567 -2.380 5.015 1.00 0.00 C ATOM 160 CE1 TYR A 19 3.785 -1.932 2.374 1.00 0.00 C ATOM 161 CE2 TYR A 19 4.188 -1.065 4.565 1.00 0.00 C ATOM 162 CZ TYR A 19 3.816 -0.907 3.267 1.00 0.00 C ATOM 0 H TYR A 19 3.939 -6.052 2.853 1.00 0.00 H new ATOM 0 HA TYR A 19 6.516 -4.951 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.050 -5.421 4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.481 -4.748 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.148 -4.078 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.866 -2.534 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.483 -1.764 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.199 -0.224 5.243 1.00 0.00 H new ATOM 163 N LYS A 20 6.257 -7.874 4.315 1.00 0.00 N ATOM 164 CA LYS A 20 6.964 -8.946 4.997 1.00 0.00 C ATOM 165 C LYS A 20 8.249 -9.270 4.235 1.00 0.00 C ATOM 166 O LYS A 20 9.333 -8.840 4.628 1.00 0.00 O ATOM 167 CB LYS A 20 6.043 -10.153 5.192 1.00 0.00 C ATOM 168 CG LYS A 20 6.498 -11.002 6.381 1.00 0.00 C ATOM 169 CD LYS A 20 7.558 -12.021 5.953 1.00 0.00 C ATOM 170 CE LYS A 20 7.242 -13.408 6.515 1.00 0.00 C ATOM 171 NZ LYS A 20 8.403 -13.941 7.263 1.00 0.00 N ATOM 0 H LYS A 20 5.436 -8.171 3.788 1.00 0.00 H new ATOM 0 HA LYS A 20 7.259 -8.632 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.020 -9.812 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.037 -10.761 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.903 -10.356 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.641 -11.521 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.605 -12.067 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.539 -11.698 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.374 -13.352 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.983 -14.086 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.400 -14.980 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.283 -13.577 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.343 -13.641 8.257 1.00 0.00 H new ATOM 172 N LYS A 21 8.088 -10.026 3.158 1.00 0.00 N ATOM 173 CA LYS A 21 9.223 -10.412 2.338 1.00 0.00 C ATOM 174 C LYS A 21 9.038 -9.856 0.924 1.00 0.00 C ATOM 175 O LYS A 21 9.913 -10.009 0.074 1.00 0.00 O ATOM 176 CB LYS A 21 9.424 -11.928 2.381 1.00 0.00 C ATOM 177 CG LYS A 21 10.825 -12.281 2.885 1.00 0.00 C ATOM 178 CD LYS A 21 10.777 -12.786 4.329 1.00 0.00 C ATOM 179 CE LYS A 21 11.505 -14.124 4.466 1.00 0.00 C ATOM 180 NZ LYS A 21 10.619 -15.135 5.086 1.00 0.00 N ATOM 0 H LYS A 21 7.188 -10.381 2.835 1.00 0.00 H new ATOM 0 HA LYS A 21 10.143 -9.980 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.675 -12.379 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.275 -12.347 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.265 -13.045 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.469 -11.404 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.234 -12.050 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.740 -12.898 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.830 -14.470 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.402 -13.997 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.030 -16.082 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.520 -14.934 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.683 -15.100 4.634 1.00 0.00 H new ATOM 181 N GLY A 22 7.893 -9.222 0.718 1.00 0.00 N ATOM 182 CA GLY A 22 7.582 -8.643 -0.578 1.00 0.00 C ATOM 183 C GLY A 22 8.750 -7.802 -1.097 1.00 0.00 C ATOM 184 O GLY A 22 9.592 -7.356 -0.319 1.00 0.00 O ATOM 0 H GLY A 22 7.170 -9.097 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.356 -9.437 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.689 -8.022 -0.498 1.00 0.00 H new ATOM 185 N HIS A 23 8.763 -7.610 -2.408 1.00 0.00 N ATOM 186 CA HIS A 23 9.814 -6.831 -3.040 1.00 0.00 C ATOM 187 C HIS A 23 9.270 -5.454 -3.424 1.00 0.00 C ATOM 188 O HIS A 23 8.585 -5.313 -4.436 1.00 0.00 O ATOM 189 CB HIS A 23 10.411 -7.586 -4.229 1.00 0.00 C ATOM 190 CG HIS A 23 11.349 -6.758 -5.074 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.722 -6.927 -5.056 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.097 -5.753 -5.963 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.263 -6.059 -5.899 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.253 -5.332 -6.459 1.00 0.00 N ATOM 0 H HIS A 23 8.062 -7.981 -3.050 1.00 0.00 H new ATOM 0 HA HIS A 23 10.632 -6.677 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.947 -8.460 -3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.600 -7.953 -4.858 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.232 -7.605 -4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.122 -5.366 -6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.317 -5.947 -6.106 1.00 0.00 H new ATOM 195 N SER A 24 9.595 -4.471 -2.597 1.00 0.00 N ATOM 196 CA SER A 24 9.148 -3.110 -2.837 1.00 0.00 C ATOM 197 C SER A 24 10.210 -2.342 -3.626 1.00 0.00 C ATOM 198 O SER A 24 11.394 -2.670 -3.563 1.00 0.00 O ATOM 199 CB SER A 24 8.840 -2.391 -1.522 1.00 0.00 C ATOM 200 OG SER A 24 9.931 -2.457 -0.609 1.00 0.00 O ATOM 0 H SER A 24 10.164 -4.591 -1.759 1.00 0.00 H new ATOM 0 HA SER A 24 8.229 -3.150 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.601 -1.347 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.957 -2.836 -1.064 1.00 0.00 H new ATOM 0 HG SER A 24 9.705 -1.964 0.207 1.00 0.00 H new ATOM 201 N VAL A 25 9.748 -1.334 -4.351 1.00 0.00 N ATOM 202 CA VAL A 25 10.644 -0.516 -5.152 1.00 0.00 C ATOM 203 C VAL A 25 10.397 0.960 -4.837 1.00 0.00 C ATOM 204 O VAL A 25 10.138 1.319 -3.689 1.00 0.00 O ATOM 205 CB VAL A 25 10.469 -0.848 -6.636 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.620 -2.350 -6.883 1.00 0.00 C ATOM 207 CG2 VAL A 25 9.124 -0.339 -7.157 1.00 0.00 C ATOM 0 H VAL A 25 8.765 -1.065 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 25 11.683 -0.732 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 25 11.257 -0.337 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.491 -2.559 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.612 -2.673 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.864 -2.890 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.025 -0.588 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.316 -0.808 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.071 0.743 -7.033 1.00 0.00 H new ATOM 208 N ALA A 26 10.489 1.778 -5.876 1.00 0.00 N ATOM 209 CA ALA A 26 10.279 3.207 -5.724 1.00 0.00 C ATOM 210 C ALA A 26 10.908 3.939 -6.913 1.00 0.00 C ATOM 211 O ALA A 26 12.074 3.719 -7.235 1.00 0.00 O ATOM 212 CB ALA A 26 10.856 3.668 -4.385 1.00 0.00 C ATOM 0 H ALA A 26 10.706 1.478 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 26 9.214 3.440 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.698 4.740 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.357 3.139 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.924 3.453 -4.356 1.00 0.00 H new ATOM 213 N ASN A 27 10.107 4.794 -7.530 1.00 0.00 N ATOM 214 CA ASN A 27 10.570 5.560 -8.675 1.00 0.00 C ATOM 215 C ASN A 27 11.224 6.854 -8.187 1.00 0.00 C ATOM 216 O ASN A 27 12.435 6.901 -7.975 1.00 0.00 O ATOM 217 CB ASN A 27 9.405 5.936 -9.594 1.00 0.00 C ATOM 218 CG ASN A 27 8.214 6.453 -8.784 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.280 6.636 -7.581 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.122 6.676 -9.512 1.00 0.00 N ATOM 0 H ASN A 27 9.140 4.974 -7.259 1.00 0.00 H new ATOM 0 HA ASN A 27 11.281 4.945 -9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.727 6.700 -10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.103 5.067 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.273 7.021 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.135 6.502 -10.517 1.00 0.00 H new ATOM 221 N ARG A 28 10.394 7.874 -8.022 1.00 0.00 N ATOM 222 CA ARG A 28 10.877 9.166 -7.563 1.00 0.00 C ATOM 223 C ARG A 28 10.146 9.581 -6.285 1.00 0.00 C ATOM 224 O ARG A 28 10.773 10.023 -5.324 1.00 0.00 O ATOM 225 CB ARG A 28 10.672 10.241 -8.632 1.00 0.00 C ATOM 226 CG ARG A 28 9.226 10.252 -9.130 1.00 0.00 C ATOM 227 CD ARG A 28 9.069 11.178 -10.338 1.00 0.00 C ATOM 228 NE ARG A 28 9.291 10.418 -11.590 1.00 0.00 N ATOM 229 CZ ARG A 28 9.334 10.974 -12.808 1.00 0.00 C ATOM 0 H ARG A 28 9.390 7.832 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 28 11.944 9.070 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.927 11.219 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.347 10.060 -9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.923 9.241 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.564 10.579 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.072 11.618 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.781 12.001 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 28 9.419 9.408 -11.520 1.00 0.00 H new ATOM 230 N GLN A 29 8.831 9.423 -6.315 1.00 0.00 N ATOM 231 CA GLN A 29 8.009 9.777 -5.171 1.00 0.00 C ATOM 232 C GLN A 29 6.899 8.743 -4.975 1.00 0.00 C ATOM 233 O GLN A 29 5.955 8.974 -4.221 1.00 0.00 O ATOM 234 CB GLN A 29 7.425 11.183 -5.327 1.00 0.00 C ATOM 235 CG GLN A 29 8.518 12.193 -5.684 1.00 0.00 C ATOM 236 CD GLN A 29 8.372 12.671 -7.130 1.00 0.00 C ATOM 237 OE1 GLN A 29 9.319 12.707 -7.898 1.00 0.00 O ATOM 238 NE2 GLN A 29 7.136 13.034 -7.457 1.00 0.00 N ATOM 0 H GLN A 29 8.315 9.055 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 29 8.641 9.778 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.660 11.179 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.936 11.483 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.464 13.046 -5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.498 11.737 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.388 12.979 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.935 13.367 -8.400 1.00 0.00 H new ATOM 239 N PHE A 30 7.049 7.623 -5.667 1.00 0.00 N ATOM 240 CA PHE A 30 6.070 6.552 -5.579 1.00 0.00 C ATOM 241 C PHE A 30 6.758 5.192 -5.444 1.00 0.00 C ATOM 242 O PHE A 30 7.743 4.920 -6.128 1.00 0.00 O ATOM 243 CB PHE A 30 5.263 6.576 -6.878 1.00 0.00 C ATOM 244 CG PHE A 30 3.791 6.199 -6.703 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.154 6.470 -5.531 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.118 5.594 -7.717 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.788 6.120 -5.368 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.750 5.244 -7.554 1.00 0.00 C ATOM 249 CZ PHE A 30 1.114 5.515 -6.383 1.00 0.00 C ATOM 0 H PHE A 30 7.833 7.434 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 30 5.436 6.697 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.323 7.574 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.721 5.890 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.688 6.951 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.623 5.379 -8.647 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.283 6.334 -4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.216 4.763 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.074 5.250 -6.259 1.00 0.00 H new ATOM 250 N VAL A 31 6.210 4.373 -4.557 1.00 0.00 N ATOM 251 CA VAL A 31 6.758 3.048 -4.325 1.00 0.00 C ATOM 252 C VAL A 31 5.647 2.007 -4.476 1.00 0.00 C ATOM 253 O VAL A 31 4.493 2.273 -4.143 1.00 0.00 O ATOM 254 CB VAL A 31 7.442 2.998 -2.956 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.982 4.374 -2.562 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.490 2.455 -1.888 1.00 0.00 C ATOM 0 H VAL A 31 5.393 4.602 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 31 7.523 2.816 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 31 8.289 2.315 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.463 4.310 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.709 4.706 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.160 5.088 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.000 2.430 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.615 3.101 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.176 1.447 -2.159 1.00 0.00 H new ATOM 257 N VAL A 32 6.034 0.844 -4.979 1.00 0.00 N ATOM 258 CA VAL A 32 5.085 -0.237 -5.179 1.00 0.00 C ATOM 259 C VAL A 32 5.618 -1.508 -4.514 1.00 0.00 C ATOM 260 O VAL A 32 6.756 -1.909 -4.756 1.00 0.00 O ATOM 261 CB VAL A 32 4.803 -0.417 -6.673 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.986 0.753 -7.221 1.00 0.00 C ATOM 263 CG2 VAL A 32 6.104 -0.595 -7.458 1.00 0.00 C ATOM 0 H VAL A 32 6.992 0.627 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 32 4.131 0.001 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 32 4.211 -1.324 -6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.800 0.600 -8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.036 0.813 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.540 1.681 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.876 -0.721 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.733 0.285 -7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.631 -1.476 -7.093 1.00 0.00 H new ATOM 264 N TYR A 33 4.771 -2.107 -3.690 1.00 0.00 N ATOM 265 CA TYR A 33 5.143 -3.323 -2.988 1.00 0.00 C ATOM 266 C TYR A 33 4.428 -4.538 -3.581 1.00 0.00 C ATOM 267 O TYR A 33 3.210 -4.521 -3.760 1.00 0.00 O ATOM 268 CB TYR A 33 4.686 -3.132 -1.540 1.00 0.00 C ATOM 269 CG TYR A 33 5.672 -2.347 -0.675 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.107 -1.102 -1.081 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.127 -2.883 0.513 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.036 -0.362 -0.265 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.055 -2.144 1.328 1.00 0.00 C ATOM 274 CZ TYR A 33 7.464 -0.919 0.899 1.00 0.00 C ATOM 0 H TYR A 33 3.828 -1.772 -3.493 1.00 0.00 H new ATOM 0 HA TYR A 33 6.216 -3.499 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.726 -2.616 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.523 -4.111 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.751 -0.682 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.786 -3.857 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.384 0.613 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.419 -2.553 2.259 1.00 0.00 H new ATOM 275 N THR A 34 5.213 -5.566 -3.868 1.00 0.00 N ATOM 276 CA THR A 34 4.669 -6.788 -4.436 1.00 0.00 C ATOM 277 C THR A 34 5.360 -8.011 -3.831 1.00 0.00 C ATOM 278 O THR A 34 6.410 -7.888 -3.202 1.00 0.00 O ATOM 279 CB THR A 34 4.807 -6.703 -5.957 1.00 0.00 C ATOM 280 OG1 THR A 34 6.208 -6.826 -6.188 1.00 0.00 O ATOM 281 CG2 THR A 34 4.461 -5.315 -6.500 1.00 0.00 C ATOM 0 H THR A 34 6.222 -5.578 -3.718 1.00 0.00 H new ATOM 0 HA THR A 34 3.612 -6.900 -4.196 1.00 0.00 H new ATOM 0 HB THR A 34 4.159 -7.447 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.386 -6.783 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.575 -5.309 -7.584 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.431 -5.070 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.130 -4.575 -6.061 1.00 0.00 H new ATOM 282 N CYS A 35 4.743 -9.165 -4.042 1.00 0.00 N ATOM 283 CA CYS A 35 5.286 -10.409 -3.525 1.00 0.00 C ATOM 284 C CYS A 35 4.955 -11.526 -4.517 1.00 0.00 C ATOM 285 O CYS A 35 3.990 -11.424 -5.274 1.00 0.00 O ATOM 286 CB CYS A 35 4.758 -10.717 -2.122 1.00 0.00 C ATOM 287 SG CYS A 35 5.206 -12.426 -1.647 1.00 0.00 S ATOM 0 H CYS A 35 3.872 -9.264 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 35 6.368 -10.322 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.174 -10.010 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.675 -10.596 -2.097 1.00 0.00 H new ATOM 0 HG CYS A 35 4.755 -12.677 -0.454 1.00 0.00 H new ATOM 338 N HIS A 42 -4.667 -13.533 -7.928 1.00 0.00 N ATOM 339 CA HIS A 42 -5.355 -12.253 -7.900 1.00 0.00 C ATOM 340 C HIS A 42 -4.391 -11.162 -7.431 1.00 0.00 C ATOM 341 O HIS A 42 -3.838 -11.246 -6.336 1.00 0.00 O ATOM 342 CB HIS A 42 -6.620 -12.335 -7.043 1.00 0.00 C ATOM 343 CG HIS A 42 -6.645 -13.509 -6.094 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.507 -14.580 -6.247 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.902 -13.769 -4.980 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.287 -15.440 -5.264 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.293 -14.935 -4.478 1.00 0.00 N ATOM 0 HA HIS A 42 -5.684 -11.991 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.717 -11.414 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.488 -12.393 -7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.127 -13.135 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.804 -16.376 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.913 -15.380 -3.642 1.00 0.00 H new ATOM 348 N PHE A 43 -4.218 -10.163 -8.283 1.00 0.00 N ATOM 349 CA PHE A 43 -3.331 -9.056 -7.970 1.00 0.00 C ATOM 350 C PHE A 43 -3.885 -8.220 -6.815 1.00 0.00 C ATOM 351 O PHE A 43 -4.611 -7.253 -7.037 1.00 0.00 O ATOM 352 CB PHE A 43 -3.247 -8.181 -9.223 1.00 0.00 C ATOM 353 CG PHE A 43 -4.570 -8.048 -9.978 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.439 -7.052 -9.657 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.878 -8.924 -10.971 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.667 -6.927 -10.359 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.106 -8.800 -11.672 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.975 -7.805 -11.351 1.00 0.00 C ATOM 0 H PHE A 43 -4.678 -10.097 -9.191 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.353 -9.435 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.902 -7.187 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.497 -8.598 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.195 -6.356 -8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.188 -9.715 -11.227 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.356 -6.135 -10.105 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.350 -9.496 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.910 -7.712 -11.884 1.00 0.00 H new ATOM 359 N ARG A 44 -3.519 -8.622 -5.607 1.00 0.00 N ATOM 360 CA ARG A 44 -3.970 -7.922 -4.416 1.00 0.00 C ATOM 361 C ARG A 44 -3.683 -6.424 -4.541 1.00 0.00 C ATOM 362 O ARG A 44 -2.591 -5.968 -4.209 1.00 0.00 O ATOM 363 CB ARG A 44 -3.279 -8.464 -3.163 1.00 0.00 C ATOM 364 CG ARG A 44 -3.196 -9.990 -3.199 1.00 0.00 C ATOM 365 CD ARG A 44 -3.088 -10.568 -1.786 1.00 0.00 C ATOM 366 NE ARG A 44 -1.738 -11.135 -1.573 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.450 -12.067 -0.654 1.00 0.00 C ATOM 0 H ARG A 44 -2.915 -9.424 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.044 -8.084 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.276 -8.044 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.827 -8.147 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.079 -10.394 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.332 -10.297 -3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.285 -9.789 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.843 -11.341 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.979 -10.795 -2.163 1.00 0.00 H new ATOM 368 N LEU A 45 -4.684 -5.700 -5.021 1.00 0.00 N ATOM 369 CA LEU A 45 -4.553 -4.264 -5.193 1.00 0.00 C ATOM 370 C LEU A 45 -4.695 -3.576 -3.834 1.00 0.00 C ATOM 371 O LEU A 45 -5.564 -3.933 -3.041 1.00 0.00 O ATOM 372 CB LEU A 45 -5.544 -3.758 -6.244 1.00 0.00 C ATOM 373 CG LEU A 45 -5.012 -2.701 -7.214 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.059 -2.353 -8.274 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.525 -1.462 -6.460 1.00 0.00 C ATOM 0 H LEU A 45 -5.589 -6.082 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.563 -4.015 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.895 -4.611 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.411 -3.345 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.152 -3.119 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.655 -1.600 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.316 -3.249 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.953 -1.962 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.152 -0.726 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.351 -1.033 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.724 -1.744 -5.776 1.00 0.00 H new ATOM 376 N GLY A 46 -3.826 -2.601 -3.606 1.00 0.00 N ATOM 377 CA GLY A 46 -3.843 -1.860 -2.357 1.00 0.00 C ATOM 378 C GLY A 46 -3.495 -0.389 -2.587 1.00 0.00 C ATOM 379 O GLY A 46 -2.928 -0.036 -3.621 1.00 0.00 O ATOM 0 H GLY A 46 -3.106 -2.308 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.829 -1.937 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.131 -2.301 -1.659 1.00 0.00 H new ATOM 380 N ILE A 47 -3.848 0.431 -1.608 1.00 0.00 N ATOM 381 CA ILE A 47 -3.580 1.856 -1.692 1.00 0.00 C ATOM 382 C ILE A 47 -3.048 2.351 -0.344 1.00 0.00 C ATOM 383 O ILE A 47 -3.664 2.116 0.694 1.00 0.00 O ATOM 384 CB ILE A 47 -4.821 2.608 -2.176 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.995 2.464 -3.689 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.779 4.074 -1.741 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.472 2.319 -4.061 1.00 0.00 C ATOM 0 H ILE A 47 -4.318 0.135 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.806 2.054 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.696 2.158 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.574 3.335 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.441 1.594 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.673 4.585 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.739 4.130 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.895 4.553 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.567 2.218 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.884 1.434 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.019 3.202 -3.729 1.00 0.00 H new ATOM 388 N SER A 48 -1.910 3.026 -0.405 1.00 0.00 N ATOM 389 CA SER A 48 -1.288 3.555 0.797 1.00 0.00 C ATOM 390 C SER A 48 -0.648 4.912 0.500 1.00 0.00 C ATOM 391 O SER A 48 -0.177 5.151 -0.611 1.00 0.00 O ATOM 392 CB SER A 48 -0.244 2.584 1.350 1.00 0.00 C ATOM 393 OG SER A 48 -0.843 1.510 2.070 1.00 0.00 O ATOM 0 H SER A 48 -1.402 3.219 -1.268 1.00 0.00 H new ATOM 0 HA SER A 48 -2.061 3.683 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.350 2.183 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.441 3.122 2.005 1.00 0.00 H new ATOM 0 HG SER A 48 -1.807 1.497 1.896 1.00 0.00 H new ATOM 394 N VAL A 49 -0.649 5.766 1.514 1.00 0.00 N ATOM 395 CA VAL A 49 -0.074 7.092 1.377 1.00 0.00 C ATOM 396 C VAL A 49 0.742 7.422 2.628 1.00 0.00 C ATOM 397 O VAL A 49 0.816 6.617 3.554 1.00 0.00 O ATOM 398 CB VAL A 49 -1.176 8.115 1.094 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.717 8.710 2.397 1.00 0.00 C ATOM 400 CG2 VAL A 49 -0.678 9.214 0.155 1.00 0.00 C ATOM 0 H VAL A 49 -1.040 5.564 2.434 1.00 0.00 H new ATOM 0 HA VAL A 49 0.607 7.126 0.527 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.995 7.596 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.499 9.434 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.129 7.914 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.908 9.206 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.482 9.927 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.166 9.729 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.363 8.770 -0.790 1.00 0.00 H new ATOM 401 N SER A 50 1.335 8.608 2.614 1.00 0.00 N ATOM 402 CA SER A 50 2.142 9.054 3.737 1.00 0.00 C ATOM 403 C SER A 50 1.335 10.014 4.612 1.00 0.00 C ATOM 404 O SER A 50 0.244 10.437 4.234 1.00 0.00 O ATOM 405 CB SER A 50 3.429 9.728 3.256 1.00 0.00 C ATOM 406 OG SER A 50 4.427 9.760 4.272 1.00 0.00 O ATOM 0 H SER A 50 1.272 9.273 1.843 1.00 0.00 H new ATOM 0 HA SER A 50 2.420 8.181 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.814 9.195 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.207 10.745 2.934 1.00 0.00 H new ATOM 0 HG SER A 50 5.233 10.196 3.925 1.00 0.00 H new ATOM 407 N LYS A 51 1.903 10.329 5.768 1.00 0.00 N ATOM 408 CA LYS A 51 1.250 11.232 6.700 1.00 0.00 C ATOM 409 C LYS A 51 1.928 12.602 6.637 1.00 0.00 C ATOM 410 O LYS A 51 1.558 13.516 7.372 1.00 0.00 O ATOM 411 CB LYS A 51 1.223 10.623 8.104 1.00 0.00 C ATOM 412 CG LYS A 51 2.628 10.571 8.706 1.00 0.00 C ATOM 413 CD LYS A 51 2.876 9.233 9.407 1.00 0.00 C ATOM 414 CE LYS A 51 4.264 9.198 10.049 1.00 0.00 C ATOM 415 NZ LYS A 51 4.487 7.905 10.732 1.00 0.00 N ATOM 0 H LYS A 51 2.807 9.975 6.079 1.00 0.00 H new ATOM 0 HA LYS A 51 0.207 11.380 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.569 11.212 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.805 9.617 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.370 10.717 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.753 11.387 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.115 9.072 10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.784 8.419 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.028 9.349 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.361 10.015 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.434 7.898 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.769 7.776 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.415 7.131 10.041 1.00 0.00 H new ATOM 416 N LYS A 52 2.908 12.701 5.751 1.00 0.00 N ATOM 417 CA LYS A 52 3.640 13.945 5.583 1.00 0.00 C ATOM 418 C LYS A 52 3.290 14.557 4.226 1.00 0.00 C ATOM 419 O LYS A 52 3.565 15.732 3.981 1.00 0.00 O ATOM 420 CB LYS A 52 5.140 13.715 5.785 1.00 0.00 C ATOM 421 CG LYS A 52 5.611 14.305 7.116 1.00 0.00 C ATOM 422 CD LYS A 52 6.847 13.568 7.635 1.00 0.00 C ATOM 423 CE LYS A 52 7.545 14.377 8.731 1.00 0.00 C ATOM 424 NZ LYS A 52 8.867 13.788 9.046 1.00 0.00 N ATOM 0 H LYS A 52 3.212 11.941 5.142 1.00 0.00 H new ATOM 0 HA LYS A 52 3.346 14.667 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.354 12.647 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.695 14.170 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.841 15.363 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.809 14.240 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.556 12.593 8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.540 13.388 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.668 15.410 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.926 14.396 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.328 14.348 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.741 12.810 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.461 13.792 8.192 1.00 0.00 H new ATOM 425 N LEU A 53 2.689 13.736 3.378 1.00 0.00 N ATOM 426 CA LEU A 53 2.298 14.182 2.052 1.00 0.00 C ATOM 427 C LEU A 53 1.837 15.639 2.124 1.00 0.00 C ATOM 428 O LEU A 53 2.543 16.541 1.675 1.00 0.00 O ATOM 429 CB LEU A 53 1.255 13.236 1.454 1.00 0.00 C ATOM 430 CG LEU A 53 1.452 12.864 -0.018 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.897 11.408 -0.161 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.190 13.161 -0.831 1.00 0.00 C ATOM 0 H LEU A 53 2.463 12.763 3.584 1.00 0.00 H new ATOM 0 HA LEU A 53 3.150 14.150 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.246 12.318 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.272 13.694 1.564 1.00 0.00 H new ATOM 0 HG LEU A 53 2.251 13.485 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.030 11.170 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.840 11.263 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.139 10.752 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.356 12.888 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.644 12.583 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.042 14.224 -0.767 1.00 0.00 H new ATOM 433 N GLY A 54 0.656 15.825 2.694 1.00 0.00 N ATOM 434 CA GLY A 54 0.092 17.157 2.832 1.00 0.00 C ATOM 435 C GLY A 54 -1.344 17.094 3.357 1.00 0.00 C ATOM 436 O GLY A 54 -1.571 16.735 4.512 1.00 0.00 O ATOM 0 H GLY A 54 0.073 15.075 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.706 17.747 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.108 17.664 1.867 1.00 0.00 H new ATOM 437 N ASN A 55 -2.276 17.446 2.484 1.00 0.00 N ATOM 438 CA ASN A 55 -3.683 17.434 2.845 1.00 0.00 C ATOM 439 C ASN A 55 -4.338 16.169 2.284 1.00 0.00 C ATOM 440 O ASN A 55 -3.679 15.364 1.629 1.00 0.00 O ATOM 441 CB ASN A 55 -4.413 18.644 2.258 1.00 0.00 C ATOM 442 CG ASN A 55 -5.315 19.301 3.305 1.00 0.00 C ATOM 443 OD1 ASN A 55 -4.952 19.470 4.457 1.00 0.00 O ATOM 444 ND2 ASN A 55 -6.509 19.659 2.841 1.00 0.00 N ATOM 0 H ASN A 55 -2.084 17.741 1.527 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.752 17.464 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.686 19.369 1.892 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.011 18.332 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.185 20.104 3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.749 19.488 1.864 1.00 0.00 H new ATOM 445 N ALA A 56 -5.626 16.035 2.564 1.00 0.00 N ATOM 446 CA ALA A 56 -6.377 14.883 2.096 1.00 0.00 C ATOM 447 C ALA A 56 -6.496 14.941 0.572 1.00 0.00 C ATOM 448 O ALA A 56 -6.677 13.914 -0.080 1.00 0.00 O ATOM 449 CB ALA A 56 -7.742 14.849 2.786 1.00 0.00 C ATOM 0 H ALA A 56 -6.168 16.705 3.109 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.859 13.958 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.306 13.985 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.603 14.778 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.291 15.760 2.551 1.00 0.00 H new ATOM 450 N VAL A 57 -6.390 16.154 0.048 1.00 0.00 N ATOM 451 CA VAL A 57 -6.483 16.359 -1.387 1.00 0.00 C ATOM 452 C VAL A 57 -5.242 15.774 -2.063 1.00 0.00 C ATOM 453 O VAL A 57 -5.289 15.393 -3.232 1.00 0.00 O ATOM 454 CB VAL A 57 -6.684 17.846 -1.691 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.352 18.597 -1.659 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.392 18.040 -3.033 1.00 0.00 C ATOM 0 H VAL A 57 -6.241 17.004 0.592 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.350 15.837 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.322 18.264 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.523 19.651 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.903 18.500 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.679 18.176 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.522 19.105 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.791 17.599 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.367 17.555 -3.003 1.00 0.00 H new ATOM 457 N LEU A 58 -4.160 15.722 -1.300 1.00 0.00 N ATOM 458 CA LEU A 58 -2.908 15.190 -1.812 1.00 0.00 C ATOM 459 C LEU A 58 -2.935 13.662 -1.727 1.00 0.00 C ATOM 460 O LEU A 58 -2.541 12.977 -2.668 1.00 0.00 O ATOM 461 CB LEU A 58 -1.720 15.825 -1.087 1.00 0.00 C ATOM 462 CG LEU A 58 -1.561 17.336 -1.257 1.00 0.00 C ATOM 463 CD1 LEU A 58 -0.372 17.858 -0.447 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.456 17.715 -2.736 1.00 0.00 C ATOM 0 H LEU A 58 -4.124 16.039 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.786 15.449 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.810 15.607 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.807 15.342 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.456 17.818 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.282 18.935 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.528 17.640 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.542 17.371 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.344 18.795 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.590 17.221 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.359 17.399 -3.258 1.00 0.00 H new ATOM 465 N ARG A 59 -3.405 13.173 -0.588 1.00 0.00 N ATOM 466 CA ARG A 59 -3.490 11.739 -0.367 1.00 0.00 C ATOM 467 C ARG A 59 -4.613 11.138 -1.213 1.00 0.00 C ATOM 468 O ARG A 59 -4.791 9.921 -1.240 1.00 0.00 O ATOM 469 CB ARG A 59 -3.746 11.424 1.108 1.00 0.00 C ATOM 470 CG ARG A 59 -5.241 11.472 1.427 1.00 0.00 C ATOM 471 CD ARG A 59 -5.490 11.245 2.920 1.00 0.00 C ATOM 472 NE ARG A 59 -6.069 9.901 3.138 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.623 9.498 4.289 1.00 0.00 C ATOM 0 H ARG A 59 -3.731 13.745 0.191 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.536 11.300 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.351 10.436 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.214 12.140 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.649 12.438 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.765 10.712 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.555 11.341 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.167 12.008 3.304 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.045 9.239 2.362 1.00 0.00 H new ATOM 474 N ASN A 60 -5.343 12.018 -1.883 1.00 0.00 N ATOM 475 CA ASN A 60 -6.445 11.588 -2.727 1.00 0.00 C ATOM 476 C ASN A 60 -5.954 11.458 -4.171 1.00 0.00 C ATOM 477 O ASN A 60 -6.072 10.395 -4.777 1.00 0.00 O ATOM 478 CB ASN A 60 -7.586 12.608 -2.705 1.00 0.00 C ATOM 479 CG ASN A 60 -8.849 12.002 -2.091 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.320 10.948 -2.487 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.371 12.726 -1.104 1.00 0.00 N ATOM 0 H ASN A 60 -5.193 13.027 -1.858 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.808 10.633 -2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.284 13.485 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.796 12.946 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.216 12.407 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.926 13.599 -0.822 1.00 0.00 H new ATOM 482 N LYS A 61 -5.415 12.556 -4.679 1.00 0.00 N ATOM 483 CA LYS A 61 -4.907 12.579 -6.040 1.00 0.00 C ATOM 484 C LYS A 61 -4.027 11.348 -6.272 1.00 0.00 C ATOM 485 O LYS A 61 -4.156 10.673 -7.293 1.00 0.00 O ATOM 486 CB LYS A 61 -4.197 13.905 -6.325 1.00 0.00 C ATOM 487 CG LYS A 61 -4.428 14.350 -7.770 1.00 0.00 C ATOM 488 CD LYS A 61 -5.262 15.633 -7.822 1.00 0.00 C ATOM 489 CE LYS A 61 -6.744 15.315 -8.027 1.00 0.00 C ATOM 490 NZ LYS A 61 -7.571 16.519 -7.784 1.00 0.00 N ATOM 0 H LYS A 61 -5.319 13.436 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.729 12.524 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.562 14.672 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.128 13.797 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.469 14.515 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.936 13.559 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.131 16.194 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.907 16.269 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.907 14.953 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.047 14.516 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.574 16.286 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.428 16.847 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.292 17.271 -8.446 1.00 0.00 H new ATOM 491 N ILE A 62 -3.153 11.095 -5.310 1.00 0.00 N ATOM 492 CA ILE A 62 -2.253 9.958 -5.396 1.00 0.00 C ATOM 493 C ILE A 62 -3.073 8.666 -5.432 1.00 0.00 C ATOM 494 O ILE A 62 -2.607 7.645 -5.936 1.00 0.00 O ATOM 495 CB ILE A 62 -1.225 10.001 -4.264 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.103 10.993 -4.581 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.684 8.602 -3.961 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.332 11.748 -3.324 1.00 0.00 C ATOM 0 H ILE A 62 -3.049 11.658 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.677 9.998 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.724 10.355 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.749 10.461 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.442 11.702 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.045 8.661 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.506 7.951 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.205 8.196 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.130 12.446 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.517 12.298 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.693 11.038 -2.580 1.00 0.00 H new ATOM 499 N LYS A 63 -4.280 8.753 -4.893 1.00 0.00 N ATOM 500 CA LYS A 63 -5.169 7.604 -4.858 1.00 0.00 C ATOM 501 C LYS A 63 -6.019 7.583 -6.130 1.00 0.00 C ATOM 502 O LYS A 63 -5.993 6.609 -6.881 1.00 0.00 O ATOM 503 CB LYS A 63 -5.991 7.603 -3.568 1.00 0.00 C ATOM 504 CG LYS A 63 -5.105 7.326 -2.353 1.00 0.00 C ATOM 505 CD LYS A 63 -5.928 7.328 -1.062 1.00 0.00 C ATOM 506 CE LYS A 63 -5.054 6.984 0.146 1.00 0.00 C ATOM 507 NZ LYS A 63 -5.857 6.313 1.192 1.00 0.00 N ATOM 0 H LYS A 63 -4.663 9.602 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.595 6.678 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.487 8.566 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.773 6.847 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.610 6.362 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.321 8.081 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.384 8.308 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.741 6.607 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.234 6.336 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.607 7.893 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.249 6.086 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.624 6.944 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.263 5.436 0.808 1.00 0.00 H new ATOM 508 N ARG A 64 -6.751 8.668 -6.331 1.00 0.00 N ATOM 509 CA ARG A 64 -7.607 8.787 -7.500 1.00 0.00 C ATOM 510 C ARG A 64 -6.825 8.443 -8.769 1.00 0.00 C ATOM 511 O ARG A 64 -7.091 7.429 -9.412 1.00 0.00 O ATOM 512 CB ARG A 64 -8.175 10.202 -7.626 1.00 0.00 C ATOM 513 CG ARG A 64 -8.207 10.903 -6.267 1.00 0.00 C ATOM 514 CD ARG A 64 -9.425 11.822 -6.153 1.00 0.00 C ATOM 515 NE ARG A 64 -10.587 11.063 -5.641 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.860 11.463 -5.766 1.00 0.00 C ATOM 0 H ARG A 64 -6.770 9.473 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.433 8.086 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.569 10.780 -8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.182 10.158 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.232 10.159 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.295 11.484 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.201 12.654 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.661 12.249 -7.128 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.408 10.180 -5.163 1.00 0.00 H new ATOM 517 N ALA A 65 -5.874 9.308 -9.091 1.00 0.00 N ATOM 518 CA ALA A 65 -5.051 9.109 -10.272 1.00 0.00 C ATOM 519 C ALA A 65 -4.643 7.637 -10.362 1.00 0.00 C ATOM 520 O ALA A 65 -4.415 7.118 -11.454 1.00 0.00 O ATOM 521 CB ALA A 65 -3.842 10.046 -10.215 1.00 0.00 C ATOM 0 H ALA A 65 -5.655 10.148 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.611 9.352 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.224 9.897 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.185 11.080 -10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.255 9.829 -9.323 1.00 0.00 H new ATOM 522 N ILE A 66 -4.563 7.006 -9.200 1.00 0.00 N ATOM 523 CA ILE A 66 -4.187 5.604 -9.134 1.00 0.00 C ATOM 524 C ILE A 66 -5.423 4.737 -9.384 1.00 0.00 C ATOM 525 O ILE A 66 -5.347 3.728 -10.084 1.00 0.00 O ATOM 526 CB ILE A 66 -3.480 5.300 -7.811 1.00 0.00 C ATOM 527 CG1 ILE A 66 -1.965 5.217 -8.006 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.046 4.033 -7.166 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.344 6.614 -8.070 1.00 0.00 C ATOM 0 H ILE A 66 -4.752 7.440 -8.296 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.466 5.366 -9.916 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.671 6.124 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.519 4.654 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.742 4.673 -8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.527 3.839 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.110 4.168 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.905 3.188 -7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.266 6.527 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.774 7.166 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.548 7.146 -7.141 1.00 0.00 H new ATOM 530 N ARG A 67 -6.533 5.160 -8.797 1.00 0.00 N ATOM 531 CA ARG A 67 -7.782 4.435 -8.947 1.00 0.00 C ATOM 532 C ARG A 67 -8.315 4.584 -10.374 1.00 0.00 C ATOM 533 O ARG A 67 -9.265 3.905 -10.760 1.00 0.00 O ATOM 534 CB ARG A 67 -8.837 4.943 -7.962 1.00 0.00 C ATOM 535 CG ARG A 67 -8.986 3.986 -6.777 1.00 0.00 C ATOM 536 CD ARG A 67 -10.183 3.054 -6.973 1.00 0.00 C ATOM 537 NE ARG A 67 -11.417 3.705 -6.480 1.00 0.00 N ATOM 538 CZ ARG A 67 -11.722 3.853 -5.184 1.00 0.00 C ATOM 0 H ARG A 67 -6.593 5.996 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.581 3.384 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.557 5.933 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.795 5.049 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.076 3.397 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.112 4.557 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.291 2.804 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.017 2.118 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.077 4.064 -7.170 1.00 0.00 H new ATOM 539 N GLU A 68 -7.680 5.479 -11.118 1.00 0.00 N ATOM 540 CA GLU A 68 -8.078 5.726 -12.493 1.00 0.00 C ATOM 541 C GLU A 68 -7.183 4.940 -13.454 1.00 0.00 C ATOM 542 O GLU A 68 -7.603 4.597 -14.558 1.00 0.00 O ATOM 543 CB GLU A 68 -8.044 7.222 -12.813 1.00 0.00 C ATOM 544 CG GLU A 68 -9.413 7.711 -13.292 1.00 0.00 C ATOM 545 CD GLU A 68 -9.636 7.357 -14.764 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.256 8.193 -15.612 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.182 6.259 -15.007 1.00 0.00 O ATOM 0 H GLU A 68 -6.893 6.041 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.105 5.383 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.744 7.781 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.295 7.417 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.197 7.262 -12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.485 8.790 -13.159 1.00 0.00 H new ATOM 548 N ASN A 69 -5.967 4.676 -12.998 1.00 0.00 N ATOM 549 CA ASN A 69 -5.010 3.937 -13.804 1.00 0.00 C ATOM 550 C ASN A 69 -5.280 2.438 -13.660 1.00 0.00 C ATOM 551 O ASN A 69 -5.714 1.788 -14.609 1.00 0.00 O ATOM 552 CB ASN A 69 -3.576 4.206 -13.341 1.00 0.00 C ATOM 553 CG ASN A 69 -2.612 4.222 -14.529 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.610 3.527 -14.557 1.00 0.00 O ATOM 555 ND2 ASN A 69 -2.969 5.052 -15.504 1.00 0.00 N ATOM 0 H ASN A 69 -5.623 4.961 -12.081 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.121 4.259 -14.840 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.532 5.162 -12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.270 3.439 -12.629 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.391 5.136 -16.340 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.821 5.605 -15.416 1.00 0.00 H new ATOM 556 N PHE A 70 -5.010 1.933 -12.465 1.00 0.00 N ATOM 557 CA PHE A 70 -5.217 0.522 -12.184 1.00 0.00 C ATOM 558 C PHE A 70 -6.515 0.022 -12.822 1.00 0.00 C ATOM 559 O PHE A 70 -6.648 -1.164 -13.118 1.00 0.00 O ATOM 560 CB PHE A 70 -5.321 0.380 -10.664 1.00 0.00 C ATOM 561 CG PHE A 70 -3.997 0.034 -9.980 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.155 -0.873 -10.547 1.00 0.00 C ATOM 563 CD2 PHE A 70 -3.661 0.632 -8.807 1.00 0.00 C ATOM 564 CE1 PHE A 70 -1.926 -1.195 -9.912 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.432 0.311 -8.172 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.590 -0.595 -8.737 1.00 0.00 C ATOM 0 H PHE A 70 -4.650 2.476 -11.680 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.394 -0.065 -12.592 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.701 1.313 -10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.052 -0.394 -10.431 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.422 -1.348 -11.480 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.329 1.352 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.258 -1.915 -10.361 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.166 0.787 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.655 -0.838 -8.254 1.00 0.00 H new ATOM 567 N LYS A 71 -7.439 0.952 -13.014 1.00 0.00 N ATOM 568 CA LYS A 71 -8.722 0.620 -13.611 1.00 0.00 C ATOM 569 C LYS A 71 -8.497 0.064 -15.017 1.00 0.00 C ATOM 570 O LYS A 71 -9.055 -0.972 -15.376 1.00 0.00 O ATOM 571 CB LYS A 71 -9.660 1.829 -13.570 1.00 0.00 C ATOM 572 CG LYS A 71 -11.100 1.395 -13.288 1.00 0.00 C ATOM 573 CD LYS A 71 -11.619 2.023 -11.993 1.00 0.00 C ATOM 574 CE LYS A 71 -13.148 2.031 -11.962 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.666 0.699 -11.577 1.00 0.00 N ATOM 0 H LYS A 71 -7.325 1.935 -12.767 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.220 -0.161 -13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.329 2.525 -12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.616 2.361 -14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.741 1.687 -14.120 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.148 0.309 -13.214 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.237 1.467 -11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.245 3.043 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.499 2.783 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.536 2.309 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.706 0.722 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.346 -0.011 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.311 0.448 -10.632 1.00 0.00 H new ATOM 576 N VAL A 72 -7.677 0.776 -15.777 1.00 0.00 N ATOM 577 CA VAL A 72 -7.370 0.367 -17.137 1.00 0.00 C ATOM 578 C VAL A 72 -6.351 -0.774 -17.104 1.00 0.00 C ATOM 579 O VAL A 72 -6.472 -1.740 -17.855 1.00 0.00 O ATOM 580 CB VAL A 72 -6.894 1.571 -17.951 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.783 2.790 -17.700 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.428 1.891 -17.651 1.00 0.00 C ATOM 0 H VAL A 72 -7.216 1.634 -15.476 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.264 -0.010 -17.633 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.972 1.312 -19.007 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.422 3.632 -18.291 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.808 2.558 -17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.753 3.050 -16.642 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.115 2.751 -18.243 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.315 2.119 -16.591 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.808 1.031 -17.905 1.00 0.00 H new ATOM 583 N HIS A 73 -5.371 -0.624 -16.226 1.00 0.00 N ATOM 584 CA HIS A 73 -4.331 -1.629 -16.085 1.00 0.00 C ATOM 585 C HIS A 73 -4.874 -2.822 -15.297 1.00 0.00 C ATOM 586 O HIS A 73 -4.147 -3.777 -15.029 1.00 0.00 O ATOM 587 CB HIS A 73 -3.074 -1.026 -15.456 1.00 0.00 C ATOM 588 CG HIS A 73 -2.561 0.205 -16.166 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.573 0.154 -17.134 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.910 1.517 -16.040 1.00 0.00 C ATOM 591 CE1 HIS A 73 -1.345 1.386 -17.563 1.00 0.00 C ATOM 592 NE2 HIS A 73 -2.174 2.229 -16.883 1.00 0.00 N ATOM 0 H HIS A 73 -5.275 0.179 -15.604 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.036 -1.992 -17.069 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.286 -0.772 -14.417 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.288 -1.781 -15.445 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.101 -0.689 -17.461 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.659 1.910 -15.368 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.629 1.673 -18.319 1.00 0.00 H new ATOM 593 N LYS A 74 -6.149 -2.729 -14.948 1.00 0.00 N ATOM 594 CA LYS A 74 -6.798 -3.789 -14.197 1.00 0.00 C ATOM 595 C LYS A 74 -6.609 -5.119 -14.929 1.00 0.00 C ATOM 596 O LYS A 74 -6.353 -6.146 -14.302 1.00 0.00 O ATOM 597 CB LYS A 74 -8.264 -3.438 -13.931 1.00 0.00 C ATOM 598 CG LYS A 74 -9.001 -4.612 -13.283 1.00 0.00 C ATOM 599 CD LYS A 74 -9.705 -5.467 -14.338 1.00 0.00 C ATOM 600 CE LYS A 74 -11.049 -4.853 -14.734 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.374 -5.180 -16.141 1.00 0.00 N ATOM 0 H LYS A 74 -6.750 -1.935 -15.172 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.336 -3.896 -13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.320 -2.565 -13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.753 -3.170 -14.867 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.294 -5.226 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.732 -4.236 -12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.070 -5.560 -15.219 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.861 -6.474 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.834 -5.227 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.014 -3.771 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.289 -4.756 -16.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.633 -4.802 -16.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.428 -6.212 -16.254 1.00 0.00 H new ATOM 602 N SER A 75 -6.740 -5.056 -16.245 1.00 0.00 N ATOM 603 CA SER A 75 -6.586 -6.243 -17.070 1.00 0.00 C ATOM 604 C SER A 75 -5.146 -6.342 -17.579 1.00 0.00 C ATOM 605 O SER A 75 -4.852 -7.141 -18.468 1.00 0.00 O ATOM 606 CB SER A 75 -7.564 -6.227 -18.247 1.00 0.00 C ATOM 607 OG SER A 75 -8.042 -7.533 -18.560 1.00 0.00 O ATOM 0 H SER A 75 -6.951 -4.202 -16.761 1.00 0.00 H new ATOM 0 HA SER A 75 -6.810 -7.117 -16.458 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.408 -5.579 -18.009 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.072 -5.801 -19.122 1.00 0.00 H new ATOM 0 HG SER A 75 -8.665 -7.481 -19.315 1.00 0.00 H new ATOM 608 N HIS A 76 -4.287 -5.522 -16.993 1.00 0.00 N ATOM 609 CA HIS A 76 -2.885 -5.508 -17.375 1.00 0.00 C ATOM 610 C HIS A 76 -2.030 -6.014 -16.212 1.00 0.00 C ATOM 611 O HIS A 76 -0.884 -6.413 -16.406 1.00 0.00 O ATOM 612 CB HIS A 76 -2.468 -4.117 -17.858 1.00 0.00 C ATOM 613 CG HIS A 76 -3.456 -3.471 -18.798 1.00 0.00 C ATOM 614 ND1 HIS A 76 -4.820 -3.446 -18.778 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -3.068 -2.750 -19.915 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -5.242 -2.745 -19.824 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -4.157 -2.314 -20.530 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.535 -4.862 -16.256 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.727 -6.183 -18.216 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.329 -3.470 -16.992 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.502 -4.192 -18.358 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.050 -2.573 -20.231 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.274 -2.548 -20.075 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.180 -1.754 -21.382 1.00 0.00 H new ATOM 618 N ILE A 77 -2.621 -5.979 -15.026 1.00 0.00 N ATOM 619 CA ILE A 77 -1.928 -6.429 -13.831 1.00 0.00 C ATOM 620 C ILE A 77 -2.182 -7.924 -13.631 1.00 0.00 C ATOM 621 O ILE A 77 -3.281 -8.411 -13.897 1.00 0.00 O ATOM 622 CB ILE A 77 -2.325 -5.571 -12.628 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.433 -4.332 -12.519 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.318 -6.397 -11.340 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.519 -3.482 -13.788 1.00 0.00 C ATOM 0 H ILE A 77 -3.572 -5.646 -14.868 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.851 -6.301 -13.944 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.346 -5.220 -12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.735 -3.737 -11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.400 -4.637 -12.350 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.604 -5.764 -10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.027 -7.220 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.318 -6.797 -11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.876 -2.608 -13.685 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.194 -4.073 -14.644 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.549 -3.159 -13.940 1.00 0.00 H new ATOM 626 N LEU A 78 -1.149 -8.610 -13.165 1.00 0.00 N ATOM 627 CA LEU A 78 -1.247 -10.040 -12.926 1.00 0.00 C ATOM 628 C LEU A 78 -1.138 -10.311 -11.425 1.00 0.00 C ATOM 629 O LEU A 78 -0.660 -9.465 -10.671 1.00 0.00 O ATOM 630 CB LEU A 78 -0.214 -10.794 -13.765 1.00 0.00 C ATOM 631 CG LEU A 78 0.979 -9.973 -14.259 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.518 -8.826 -15.159 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.826 -9.476 -13.085 1.00 0.00 C ATOM 0 H LEU A 78 -0.240 -8.202 -12.946 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.219 -10.415 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.164 -11.629 -13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.720 -11.220 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 78 1.614 -10.621 -14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.385 -8.258 -15.497 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.010 -9.231 -16.023 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.150 -8.171 -14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.667 -8.895 -13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.215 -8.849 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.199 -10.329 -12.519 1.00 0.00 H new ATOM 634 N ALA A 79 -1.588 -11.494 -11.035 1.00 0.00 N ATOM 635 CA ALA A 79 -1.547 -11.888 -9.637 1.00 0.00 C ATOM 636 C ALA A 79 -0.094 -11.903 -9.159 1.00 0.00 C ATOM 637 O ALA A 79 0.769 -12.500 -9.802 1.00 0.00 O ATOM 638 CB ALA A 79 -2.231 -13.246 -9.468 1.00 0.00 C ATOM 0 H ALA A 79 -1.983 -12.193 -11.663 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.090 -11.172 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.200 -13.541 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.269 -13.174 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.712 -13.992 -10.070 1.00 0.00 H new ATOM 639 N LYS A 80 0.134 -11.240 -8.035 1.00 0.00 N ATOM 640 CA LYS A 80 1.468 -11.170 -7.463 1.00 0.00 C ATOM 641 C LYS A 80 1.546 -9.977 -6.509 1.00 0.00 C ATOM 642 O LYS A 80 2.475 -9.173 -6.588 1.00 0.00 O ATOM 643 CB LYS A 80 2.523 -11.143 -8.570 1.00 0.00 C ATOM 644 CG LYS A 80 2.163 -10.117 -9.646 1.00 0.00 C ATOM 645 CD LYS A 80 3.422 -9.533 -10.291 1.00 0.00 C ATOM 646 CE LYS A 80 4.166 -8.621 -9.312 1.00 0.00 C ATOM 647 NZ LYS A 80 5.560 -9.086 -9.128 1.00 0.00 N ATOM 0 H LYS A 80 -0.583 -10.746 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 80 1.679 -12.063 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.497 -10.901 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.609 -12.132 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.544 -10.588 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.571 -9.315 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.079 -10.341 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.150 -8.970 -11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.164 -7.597 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.650 -8.610 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.061 -8.437 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.556 -10.042 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.044 -9.106 -10.048 1.00 0.00 H new ATOM 648 N ASP A 81 0.559 -9.899 -5.627 1.00 0.00 N ATOM 649 CA ASP A 81 0.506 -8.818 -4.658 1.00 0.00 C ATOM 650 C ASP A 81 1.053 -7.539 -5.296 1.00 0.00 C ATOM 651 O ASP A 81 2.247 -7.441 -5.573 1.00 0.00 O ATOM 652 CB ASP A 81 1.361 -9.135 -3.430 1.00 0.00 C ATOM 653 CG ASP A 81 1.551 -10.626 -3.142 1.00 0.00 C ATOM 654 OD1 ASP A 81 1.901 -11.349 -4.101 1.00 0.00 O ATOM 655 OD2 ASP A 81 1.343 -11.010 -1.971 1.00 0.00 O ATOM 0 H ASP A 81 -0.209 -10.567 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.532 -8.692 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.342 -8.678 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.905 -8.667 -2.558 1.00 0.00 H new ATOM 656 N ILE A 82 0.152 -6.592 -5.511 1.00 0.00 N ATOM 657 CA ILE A 82 0.528 -5.323 -6.112 1.00 0.00 C ATOM 658 C ILE A 82 -0.054 -4.178 -5.282 1.00 0.00 C ATOM 659 O ILE A 82 -1.237 -4.190 -4.943 1.00 0.00 O ATOM 660 CB ILE A 82 0.119 -5.285 -7.585 1.00 0.00 C ATOM 661 CG1 ILE A 82 -0.082 -3.845 -8.062 1.00 0.00 C ATOM 662 CG2 ILE A 82 -1.120 -6.148 -7.832 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.501 -3.360 -7.759 1.00 0.00 C ATOM 0 H ILE A 82 -0.838 -6.678 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 82 1.611 -5.204 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 82 0.931 -5.709 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.641 -3.192 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.106 -3.784 -9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.390 -6.104 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.905 -7.180 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.949 -5.776 -7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.617 -2.334 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.221 -4.000 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.677 -3.400 -6.684 1.00 0.00 H new ATOM 664 N ILE A 83 0.803 -3.214 -4.976 1.00 0.00 N ATOM 665 CA ILE A 83 0.387 -2.063 -4.192 1.00 0.00 C ATOM 666 C ILE A 83 1.230 -0.850 -4.590 1.00 0.00 C ATOM 667 O ILE A 83 2.324 -1.000 -5.133 1.00 0.00 O ATOM 668 CB ILE A 83 0.441 -2.387 -2.698 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.161 -3.764 -2.413 1.00 0.00 C ATOM 670 CG2 ILE A 83 -0.231 -1.286 -1.874 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.116 -4.083 -0.917 1.00 0.00 C ATOM 0 H ILE A 83 1.784 -3.207 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.652 -1.812 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 83 1.487 -2.424 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.193 -3.794 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.386 -4.526 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.179 -1.541 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.282 -0.339 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.275 -1.193 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.550 -5.067 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.919 -4.076 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.685 -3.333 -0.368 1.00 0.00 H new ATOM 672 N VAL A 84 0.690 0.325 -4.304 1.00 0.00 N ATOM 673 CA VAL A 84 1.378 1.564 -4.625 1.00 0.00 C ATOM 674 C VAL A 84 1.261 2.528 -3.443 1.00 0.00 C ATOM 675 O VAL A 84 0.164 2.971 -3.104 1.00 0.00 O ATOM 676 CB VAL A 84 0.828 2.146 -5.928 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.886 1.114 -7.057 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.597 2.670 -5.736 1.00 0.00 C ATOM 0 H VAL A 84 -0.217 0.446 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 84 2.439 1.380 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 84 1.459 2.988 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.489 1.553 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.920 0.810 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.290 0.243 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.964 3.078 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.245 1.854 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.598 3.452 -4.976 1.00 0.00 H new ATOM 679 N ILE A 85 2.406 2.826 -2.847 1.00 0.00 N ATOM 680 CA ILE A 85 2.445 3.730 -1.710 1.00 0.00 C ATOM 681 C ILE A 85 3.059 5.062 -2.144 1.00 0.00 C ATOM 682 O ILE A 85 3.939 5.094 -3.003 1.00 0.00 O ATOM 683 CB ILE A 85 3.168 3.077 -0.531 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.323 1.570 -0.749 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.462 3.395 0.789 1.00 0.00 C ATOM 686 CD1 ILE A 85 2.003 0.943 -1.204 1.00 0.00 C ATOM 0 H ILE A 85 3.314 2.457 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 85 1.435 3.942 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 85 4.171 3.499 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.094 1.385 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.655 1.097 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.996 2.919 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.447 4.474 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.440 3.019 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.141 -0.128 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.240 1.109 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.687 1.401 -2.141 1.00 0.00 H new ATOM 687 N ALA A 86 2.570 6.131 -1.532 1.00 0.00 N ATOM 688 CA ALA A 86 3.058 7.462 -1.845 1.00 0.00 C ATOM 689 C ALA A 86 4.209 7.814 -0.900 1.00 0.00 C ATOM 690 O ALA A 86 4.020 7.890 0.314 1.00 0.00 O ATOM 691 CB ALA A 86 1.904 8.464 -1.756 1.00 0.00 C ATOM 0 H ALA A 86 1.840 6.101 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 86 3.444 7.499 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.271 9.463 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.126 8.187 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.493 8.457 -0.747 1.00 0.00 H new ATOM 692 N ARG A 87 5.377 8.018 -1.491 1.00 0.00 N ATOM 693 CA ARG A 87 6.559 8.360 -0.717 1.00 0.00 C ATOM 694 C ARG A 87 6.250 9.510 0.243 1.00 0.00 C ATOM 695 O ARG A 87 6.224 9.319 1.457 1.00 0.00 O ATOM 696 CB ARG A 87 7.718 8.763 -1.631 1.00 0.00 C ATOM 697 CG ARG A 87 8.576 7.551 -1.996 1.00 0.00 C ATOM 698 CD ARG A 87 9.427 7.104 -0.805 1.00 0.00 C ATOM 699 NE ARG A 87 10.567 8.029 -0.621 1.00 0.00 N ATOM 700 CZ ARG A 87 11.717 7.949 -1.303 1.00 0.00 C ATOM 0 H ARG A 87 5.531 7.953 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 87 6.851 7.477 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.327 9.223 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.334 9.513 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.935 6.730 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.223 7.799 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.818 7.080 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.793 6.091 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 87 10.471 8.774 0.069 1.00 0.00 H new ATOM 701 N GLN A 88 6.025 10.679 -0.339 1.00 0.00 N ATOM 702 CA GLN A 88 5.719 11.861 0.449 1.00 0.00 C ATOM 703 C GLN A 88 5.713 13.106 -0.440 1.00 0.00 C ATOM 704 O GLN A 88 4.752 13.873 -0.434 1.00 0.00 O ATOM 705 CB GLN A 88 6.707 12.018 1.608 1.00 0.00 C ATOM 706 CG GLN A 88 7.053 13.491 1.837 1.00 0.00 C ATOM 707 CD GLN A 88 7.886 13.666 3.109 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.635 14.531 3.932 1.00 0.00 O ATOM 709 NE2 GLN A 88 8.889 12.800 3.222 1.00 0.00 N ATOM 0 H GLN A 88 6.049 10.833 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 88 4.724 11.741 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.277 11.596 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.616 11.456 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.606 13.876 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.137 14.076 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.043 12.101 2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.504 12.835 4.035 1.00 0.00 H new ATOM 710 N PRO A 89 6.827 13.273 -1.202 1.00 0.00 N ATOM 711 CA PRO A 89 6.960 14.411 -2.095 1.00 0.00 C ATOM 712 C PRO A 89 6.090 14.234 -3.342 1.00 0.00 C ATOM 713 O PRO A 89 6.104 15.078 -4.237 1.00 0.00 O ATOM 714 CB PRO A 89 8.444 14.492 -2.412 1.00 0.00 C ATOM 715 CG PRO A 89 9.019 13.128 -2.065 1.00 0.00 C ATOM 716 CD PRO A 89 7.986 12.384 -1.234 1.00 0.00 C ATOM 0 HA PRO A 89 6.612 15.341 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.606 14.728 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.925 15.278 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.253 12.570 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.950 13.237 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.735 11.422 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.357 12.181 -0.230 1.00 0.00 H new ATOM 717 N ALA A 90 5.355 13.133 -3.360 1.00 0.00 N ATOM 718 CA ALA A 90 4.481 12.834 -4.482 1.00 0.00 C ATOM 719 C ALA A 90 3.235 13.719 -4.402 1.00 0.00 C ATOM 720 O ALA A 90 2.371 13.662 -5.275 1.00 0.00 O ATOM 721 CB ALA A 90 4.139 11.344 -4.481 1.00 0.00 C ATOM 0 H ALA A 90 5.346 12.436 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 90 4.980 13.052 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.483 11.121 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.055 10.760 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.634 11.087 -3.550 1.00 0.00 H new ATOM 722 N LYS A 91 3.182 14.517 -3.345 1.00 0.00 N ATOM 723 CA LYS A 91 2.056 15.412 -3.139 1.00 0.00 C ATOM 724 C LYS A 91 2.051 16.479 -4.236 1.00 0.00 C ATOM 725 O LYS A 91 0.989 16.887 -4.704 1.00 0.00 O ATOM 726 CB LYS A 91 2.082 15.989 -1.722 1.00 0.00 C ATOM 727 CG LYS A 91 3.477 16.509 -1.367 1.00 0.00 C ATOM 728 CD LYS A 91 3.415 17.962 -0.890 1.00 0.00 C ATOM 729 CE LYS A 91 4.814 18.576 -0.824 1.00 0.00 C ATOM 730 NZ LYS A 91 4.750 20.037 -1.054 1.00 0.00 N ATOM 0 H LYS A 91 3.901 14.562 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 91 1.116 14.866 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.357 16.799 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.783 15.222 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.914 15.885 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.129 16.436 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.790 18.544 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.948 18.006 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.261 18.374 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.457 18.112 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.708 20.438 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.343 20.223 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.153 20.477 -0.325 1.00 0.00 H new ATOM 731 N ASP A 92 3.249 16.898 -4.615 1.00 0.00 N ATOM 732 CA ASP A 92 3.396 17.909 -5.649 1.00 0.00 C ATOM 733 C ASP A 92 2.810 17.380 -6.960 1.00 0.00 C ATOM 734 O ASP A 92 2.425 18.159 -7.830 1.00 0.00 O ATOM 735 CB ASP A 92 4.870 18.241 -5.889 1.00 0.00 C ATOM 736 CG ASP A 92 5.608 17.274 -6.818 1.00 0.00 C ATOM 737 OD1 ASP A 92 5.317 17.323 -8.033 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.444 16.509 -6.292 1.00 0.00 O ATOM 0 H ASP A 92 4.127 16.556 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 92 2.874 18.807 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.937 19.245 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.384 18.261 -4.928 1.00 0.00 H new ATOM 739 N MET A 93 2.761 16.059 -7.059 1.00 0.00 N ATOM 740 CA MET A 93 2.230 15.418 -8.249 1.00 0.00 C ATOM 741 C MET A 93 0.731 15.689 -8.395 1.00 0.00 C ATOM 742 O MET A 93 0.088 16.162 -7.459 1.00 0.00 O ATOM 743 CB MET A 93 2.470 13.909 -8.165 1.00 0.00 C ATOM 744 CG MET A 93 3.947 13.602 -7.911 1.00 0.00 C ATOM 745 SD MET A 93 4.203 11.837 -7.858 1.00 0.00 S ATOM 746 CE MET A 93 2.580 11.303 -7.341 1.00 0.00 C ATOM 0 H MET A 93 3.080 15.416 -6.334 1.00 0.00 H new ATOM 0 HA MET A 93 2.741 15.829 -9.120 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.864 13.485 -7.365 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.150 13.434 -9.093 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.559 14.043 -8.698 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.264 14.052 -6.970 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.579 10.221 -7.206 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.321 11.787 -6.399 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.848 11.574 -8.102 1.00 0.00 H new ATOM 747 N THR A 94 0.218 15.378 -9.576 1.00 0.00 N ATOM 748 CA THR A 94 -1.194 15.583 -9.857 1.00 0.00 C ATOM 749 C THR A 94 -1.785 14.349 -10.540 1.00 0.00 C ATOM 750 O THR A 94 -1.087 13.359 -10.755 1.00 0.00 O ATOM 751 CB THR A 94 -1.331 16.862 -10.685 1.00 0.00 C ATOM 752 OG1 THR A 94 -0.344 16.722 -11.704 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.895 18.109 -9.914 1.00 0.00 C ATOM 0 H THR A 94 0.754 14.986 -10.350 1.00 0.00 H new ATOM 0 HA THR A 94 -1.766 15.712 -8.938 1.00 0.00 H new ATOM 0 HB THR A 94 -2.366 16.977 -11.006 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.364 17.508 -12.289 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.012 18.988 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.512 18.220 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.150 18.009 -9.622 1.00 0.00 H new ATOM 754 N THR A 95 -3.066 14.449 -10.865 1.00 0.00 N ATOM 755 CA THR A 95 -3.760 13.354 -11.521 1.00 0.00 C ATOM 756 C THR A 95 -3.109 13.042 -12.870 1.00 0.00 C ATOM 757 O THR A 95 -3.451 12.052 -13.514 1.00 0.00 O ATOM 758 CB THR A 95 -5.239 13.730 -11.632 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.830 13.162 -10.466 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.939 13.016 -12.790 1.00 0.00 C ATOM 0 H THR A 95 -3.641 15.272 -10.686 1.00 0.00 H new ATOM 0 HA THR A 95 -3.687 12.435 -10.940 1.00 0.00 H new ATOM 0 HB THR A 95 -5.331 14.808 -11.762 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.806 13.219 -10.533 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.986 13.318 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.454 13.283 -13.729 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.877 11.938 -12.643 1.00 0.00 H new ATOM 761 N LEU A 96 -2.182 13.906 -13.258 1.00 0.00 N ATOM 762 CA LEU A 96 -1.481 13.735 -14.519 1.00 0.00 C ATOM 763 C LEU A 96 -0.126 13.073 -14.258 1.00 0.00 C ATOM 764 O LEU A 96 0.277 12.167 -14.986 1.00 0.00 O ATOM 765 CB LEU A 96 -1.380 15.068 -15.261 1.00 0.00 C ATOM 766 CG LEU A 96 -0.932 14.991 -16.722 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.589 15.101 -16.835 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.468 13.725 -17.393 1.00 0.00 C ATOM 0 H LEU A 96 -1.900 14.726 -12.721 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.040 13.071 -15.178 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.354 15.555 -15.226 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.683 15.709 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.356 15.842 -17.256 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.881 15.043 -17.884 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.917 16.054 -16.419 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.055 14.284 -16.283 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.135 13.694 -18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.094 12.847 -16.866 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.558 13.730 -17.361 1.00 0.00 H new ATOM 769 N GLN A 97 0.540 13.551 -13.216 1.00 0.00 N ATOM 770 CA GLN A 97 1.841 13.018 -12.851 1.00 0.00 C ATOM 771 C GLN A 97 1.679 11.705 -12.081 1.00 0.00 C ATOM 772 O GLN A 97 2.340 10.715 -12.390 1.00 0.00 O ATOM 773 CB GLN A 97 2.642 14.035 -12.037 1.00 0.00 C ATOM 774 CG GLN A 97 2.494 15.442 -12.618 1.00 0.00 C ATOM 775 CD GLN A 97 3.508 16.403 -11.995 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.607 16.030 -11.621 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.078 17.659 -11.905 1.00 0.00 N ATOM 0 H GLN A 97 0.202 14.302 -12.613 1.00 0.00 H new ATOM 0 HA GLN A 97 2.398 12.815 -13.766 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.300 14.028 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.694 13.751 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.635 15.410 -13.698 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.483 15.808 -12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.145 17.904 -12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.681 18.377 -11.503 1.00 0.00 H new ATOM 778 N ILE A 98 0.795 11.740 -11.095 1.00 0.00 N ATOM 779 CA ILE A 98 0.537 10.565 -10.279 1.00 0.00 C ATOM 780 C ILE A 98 0.396 9.341 -11.185 1.00 0.00 C ATOM 781 O ILE A 98 0.885 8.261 -10.857 1.00 0.00 O ATOM 782 CB ILE A 98 -0.670 10.799 -9.369 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.447 12.011 -8.461 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.007 9.539 -8.570 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.752 12.774 -8.234 1.00 0.00 C ATOM 0 H ILE A 98 0.248 12.563 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 98 1.377 10.373 -9.612 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.532 11.022 -9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.042 11.683 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.293 12.674 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.869 9.733 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.240 8.725 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.153 9.260 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.565 13.630 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.141 13.122 -9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.482 12.115 -7.763 1.00 0.00 H new ATOM 786 N GLN A 99 -0.275 9.551 -12.308 1.00 0.00 N ATOM 787 CA GLN A 99 -0.486 8.477 -13.265 1.00 0.00 C ATOM 788 C GLN A 99 0.820 8.145 -13.989 1.00 0.00 C ATOM 789 O GLN A 99 1.084 6.986 -14.301 1.00 0.00 O ATOM 790 CB GLN A 99 -1.589 8.840 -14.262 1.00 0.00 C ATOM 791 CG GLN A 99 -2.887 9.201 -13.536 1.00 0.00 C ATOM 792 CD GLN A 99 -3.997 9.536 -14.534 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.895 10.454 -15.331 1.00 0.00 O ATOM 794 NE2 GLN A 99 -5.062 8.744 -14.444 1.00 0.00 N ATOM 0 H GLN A 99 -0.679 10.448 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.811 7.591 -12.720 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.266 9.680 -14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.766 8.001 -14.935 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.199 8.369 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.715 10.053 -12.878 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.082 7.993 -13.754 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.858 8.887 -15.065 1.00 0.00 H new ATOM 795 N ASN A 100 1.603 9.186 -14.236 1.00 0.00 N ATOM 796 CA ASN A 100 2.876 9.020 -14.917 1.00 0.00 C ATOM 797 C ASN A 100 3.873 8.350 -13.970 1.00 0.00 C ATOM 798 O ASN A 100 4.984 8.009 -14.372 1.00 0.00 O ATOM 799 CB ASN A 100 3.456 10.372 -15.337 1.00 0.00 C ATOM 800 CG ASN A 100 3.129 10.680 -16.799 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.278 9.853 -17.683 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.674 11.913 -17.004 1.00 0.00 N ATOM 0 H ASN A 100 1.380 10.147 -13.977 1.00 0.00 H new ATOM 0 HA ASN A 100 2.707 8.409 -15.804 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.054 11.158 -14.698 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.537 10.367 -15.196 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.426 12.215 -17.946 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.573 12.556 -16.219 1.00 0.00 H new ATOM 803 N SER A 101 3.440 8.181 -12.730 1.00 0.00 N ATOM 804 CA SER A 101 4.281 7.557 -11.722 1.00 0.00 C ATOM 805 C SER A 101 4.286 6.039 -11.911 1.00 0.00 C ATOM 806 O SER A 101 5.345 5.414 -11.910 1.00 0.00 O ATOM 807 CB SER A 101 3.807 7.916 -10.311 1.00 0.00 C ATOM 808 OG SER A 101 3.744 9.325 -10.111 1.00 0.00 O ATOM 0 H SER A 101 2.518 8.465 -12.400 1.00 0.00 H new ATOM 0 HA SER A 101 5.297 7.934 -11.842 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.823 7.481 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.484 7.476 -9.578 1.00 0.00 H new ATOM 0 HG SER A 101 3.151 9.724 -10.781 1.00 0.00 H new ATOM 809 N LEU A 102 3.090 5.490 -12.068 1.00 0.00 N ATOM 810 CA LEU A 102 2.944 4.058 -12.258 1.00 0.00 C ATOM 811 C LEU A 102 3.650 3.643 -13.551 1.00 0.00 C ATOM 812 O LEU A 102 3.930 2.464 -13.759 1.00 0.00 O ATOM 813 CB LEU A 102 1.468 3.658 -12.209 1.00 0.00 C ATOM 814 CG LEU A 102 0.644 4.275 -11.076 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.228 5.421 -11.594 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.180 3.207 -10.354 1.00 0.00 C ATOM 0 H LEU A 102 2.214 6.012 -12.067 1.00 0.00 H new ATOM 0 HA LEU A 102 3.425 3.516 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.006 3.931 -13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.408 2.573 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 102 1.331 4.700 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.803 5.842 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.407 6.195 -12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.910 5.044 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.756 3.671 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.859 2.732 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.488 2.456 -9.932 1.00 0.00 H new ATOM 817 N GLU A 103 3.918 4.637 -14.386 1.00 0.00 N ATOM 818 CA GLU A 103 4.585 4.391 -15.652 1.00 0.00 C ATOM 819 C GLU A 103 6.049 4.014 -15.416 1.00 0.00 C ATOM 820 O GLU A 103 6.778 3.718 -16.362 1.00 0.00 O ATOM 821 CB GLU A 103 4.474 5.606 -16.575 1.00 0.00 C ATOM 822 CG GLU A 103 3.405 5.385 -17.647 1.00 0.00 C ATOM 823 CD GLU A 103 3.928 5.771 -19.032 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.681 6.767 -19.097 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.562 5.063 -19.994 1.00 0.00 O ATOM 0 H GLU A 103 3.685 5.614 -14.210 1.00 0.00 H new ATOM 0 HA GLU A 103 4.090 3.555 -16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.228 6.491 -15.989 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.437 5.795 -17.050 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.098 4.339 -17.649 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.520 5.976 -17.411 1.00 0.00 H new ATOM 826 N HIS A 104 6.435 4.035 -14.149 1.00 0.00 N ATOM 827 CA HIS A 104 7.798 3.698 -13.776 1.00 0.00 C ATOM 828 C HIS A 104 7.785 2.762 -12.567 1.00 0.00 C ATOM 829 O HIS A 104 7.976 1.556 -12.709 1.00 0.00 O ATOM 830 CB HIS A 104 8.625 4.964 -13.538 1.00 0.00 C ATOM 831 CG HIS A 104 9.984 4.705 -12.935 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.387 3.796 -12.000 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 11.111 5.428 -13.287 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.688 3.955 -11.794 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 12.139 4.967 -12.590 1.00 0.00 N flip ATOM 0 H HIS A 104 5.827 4.280 -13.367 1.00 0.00 H new ATOM 0 HA HIS A 104 8.281 3.167 -14.596 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.753 5.486 -14.486 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.068 5.631 -12.880 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.146 6.232 -14.008 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.291 3.378 -11.109 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.099 5.309 -12.640 1.00 0.00 H new ATOM 836 N VAL A 105 7.555 3.354 -11.403 1.00 0.00 N ATOM 837 CA VAL A 105 7.513 2.589 -10.170 1.00 0.00 C ATOM 838 C VAL A 105 6.792 1.263 -10.422 1.00 0.00 C ATOM 839 O VAL A 105 7.321 0.196 -10.114 1.00 0.00 O ATOM 840 CB VAL A 105 6.866 3.420 -9.060 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.343 3.440 -9.207 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.276 2.906 -7.679 1.00 0.00 C ATOM 0 H VAL A 105 7.396 4.355 -11.289 1.00 0.00 H new ATOM 0 HA VAL A 105 8.522 2.352 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 105 7.226 4.444 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.908 4.037 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.076 3.875 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.959 2.422 -9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.802 3.515 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.959 1.869 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.359 2.968 -7.575 1.00 0.00 H new ATOM 843 N LEU A 106 5.595 1.373 -10.978 1.00 0.00 N ATOM 844 CA LEU A 106 4.795 0.197 -11.274 1.00 0.00 C ATOM 845 C LEU A 106 5.516 -0.653 -12.325 1.00 0.00 C ATOM 846 O LEU A 106 5.570 -1.875 -12.208 1.00 0.00 O ATOM 847 CB LEU A 106 3.377 0.601 -11.679 1.00 0.00 C ATOM 848 CG LEU A 106 2.848 -0.013 -12.977 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.960 -1.539 -12.947 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.418 0.452 -13.261 1.00 0.00 C ATOM 0 H LEU A 106 5.159 2.260 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 106 4.683 -0.421 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.699 0.330 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.343 1.686 -11.774 1.00 0.00 H new ATOM 0 HG LEU A 106 3.470 0.339 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.577 -1.950 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.005 -1.825 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.378 -1.930 -12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.066 0.001 -14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.767 0.149 -12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.401 1.538 -13.356 1.00 0.00 H new ATOM 851 N LYS A 107 6.051 0.031 -13.326 1.00 0.00 N ATOM 852 CA LYS A 107 6.766 -0.645 -14.395 1.00 0.00 C ATOM 853 C LYS A 107 7.938 -1.431 -13.803 1.00 0.00 C ATOM 854 O LYS A 107 8.492 -2.313 -14.457 1.00 0.00 O ATOM 855 CB LYS A 107 7.179 0.353 -15.478 1.00 0.00 C ATOM 856 CG LYS A 107 8.619 0.104 -15.933 1.00 0.00 C ATOM 857 CD LYS A 107 9.078 1.182 -16.916 1.00 0.00 C ATOM 858 CE LYS A 107 10.562 1.502 -16.726 1.00 0.00 C ATOM 859 NZ LYS A 107 11.305 1.279 -17.987 1.00 0.00 N ATOM 0 H LYS A 107 6.004 1.046 -13.419 1.00 0.00 H new ATOM 0 HA LYS A 107 6.116 -1.367 -14.890 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.505 0.270 -16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.085 1.369 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.281 0.091 -15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.691 -0.877 -16.404 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.903 0.846 -17.938 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.486 2.086 -16.772 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.679 2.537 -16.406 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.977 0.876 -15.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.311 1.501 -17.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.208 0.285 -18.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.919 1.895 -18.731 1.00 0.00 H new ATOM 860 N ILE A 108 8.279 -1.082 -12.571 1.00 0.00 N ATOM 861 CA ILE A 108 9.375 -1.743 -11.883 1.00 0.00 C ATOM 862 C ILE A 108 8.816 -2.851 -10.988 1.00 0.00 C ATOM 863 O ILE A 108 9.457 -3.884 -10.800 1.00 0.00 O ATOM 864 CB ILE A 108 10.232 -0.720 -11.133 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.739 0.370 -12.080 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.377 -1.408 -10.386 1.00 0.00 C ATOM 867 CD1 ILE A 108 12.093 0.911 -11.617 1.00 0.00 C ATOM 0 H ILE A 108 7.816 -0.350 -12.032 1.00 0.00 H new ATOM 0 HA ILE A 108 10.043 -2.219 -12.601 1.00 0.00 H new ATOM 0 HB ILE A 108 9.606 -0.232 -10.386 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.830 -0.033 -13.089 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.015 1.183 -12.126 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.971 -0.660 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.968 -2.117 -9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.009 -1.939 -11.098 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.431 1.684 -12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.993 1.335 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.821 0.100 -11.596 1.00 0.00 H new ATOM 868 N ALA A 109 7.627 -2.598 -10.461 1.00 0.00 N ATOM 869 CA ALA A 109 6.975 -3.562 -9.591 1.00 0.00 C ATOM 870 C ALA A 109 6.948 -4.928 -10.279 1.00 0.00 C ATOM 871 O ALA A 109 7.104 -5.959 -9.626 1.00 0.00 O ATOM 872 CB ALA A 109 5.574 -3.060 -9.235 1.00 0.00 C ATOM 0 H ALA A 109 7.099 -1.740 -10.620 1.00 0.00 H new ATOM 0 HA ALA A 109 7.529 -3.675 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.084 -3.782 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.650 -2.101 -8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.989 -2.939 -10.146 1.00 0.00 H new ATOM 873 N LYS A 110 6.752 -4.891 -11.588 1.00 0.00 N ATOM 874 CA LYS A 110 6.704 -6.115 -12.372 1.00 0.00 C ATOM 875 C LYS A 110 5.270 -6.649 -12.387 1.00 0.00 C ATOM 876 O LYS A 110 5.051 -7.842 -12.589 1.00 0.00 O ATOM 877 CB LYS A 110 7.731 -7.124 -11.854 1.00 0.00 C ATOM 878 CG LYS A 110 8.081 -8.151 -12.932 1.00 0.00 C ATOM 879 CD LYS A 110 9.538 -8.006 -13.375 1.00 0.00 C ATOM 880 CE LYS A 110 9.626 -7.424 -14.787 1.00 0.00 C ATOM 881 NZ LYS A 110 10.590 -8.193 -15.606 1.00 0.00 N ATOM 0 H LYS A 110 6.625 -4.034 -12.126 1.00 0.00 H new ATOM 0 HA LYS A 110 6.982 -5.916 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.633 -6.601 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.335 -7.634 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.912 -9.157 -12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.422 -8.022 -13.790 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.071 -7.360 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.029 -8.979 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.643 -7.445 -15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.934 -6.380 -14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.637 -7.785 -16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.531 -8.152 -15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.280 -9.184 -15.668 1.00 0.00 H new ATOM 882 N VAL A 111 4.331 -5.740 -12.171 1.00 0.00 N ATOM 883 CA VAL A 111 2.925 -6.105 -12.158 1.00 0.00 C ATOM 884 C VAL A 111 2.353 -5.970 -13.571 1.00 0.00 C ATOM 885 O VAL A 111 1.147 -5.809 -13.744 1.00 0.00 O ATOM 886 CB VAL A 111 2.174 -5.259 -11.127 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.790 -5.418 -9.735 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.138 -3.788 -11.546 1.00 0.00 C ATOM 0 H VAL A 111 4.516 -4.751 -12.004 1.00 0.00 H new ATOM 0 HA VAL A 111 2.804 -7.145 -11.856 1.00 0.00 H new ATOM 0 HB VAL A 111 1.146 -5.619 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.238 -4.807 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.740 -6.464 -9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.831 -5.097 -9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.599 -3.209 -10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.156 -3.409 -11.633 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.633 -3.696 -12.508 1.00 0.00 H new ATOM 889 N PHE A 112 3.248 -6.042 -14.546 1.00 0.00 N ATOM 890 CA PHE A 112 2.849 -5.930 -15.938 1.00 0.00 C ATOM 891 C PHE A 112 3.367 -7.116 -16.754 1.00 0.00 C ATOM 892 O PHE A 112 4.567 -7.386 -16.770 1.00 0.00 O ATOM 893 CB PHE A 112 3.471 -4.642 -16.480 1.00 0.00 C ATOM 894 CG PHE A 112 2.577 -3.409 -16.333 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.237 -3.511 -16.543 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.122 -2.210 -15.993 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.408 -2.367 -16.407 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.293 -1.066 -15.856 1.00 0.00 C ATOM 899 CZ PHE A 112 0.953 -1.169 -16.066 1.00 0.00 C ATOM 0 H PHE A 112 4.248 -6.177 -14.399 1.00 0.00 H new ATOM 0 HA PHE A 112 1.762 -5.919 -16.013 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.412 -4.459 -15.962 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.709 -4.782 -17.534 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.804 -4.463 -16.813 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.186 -2.128 -15.827 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.656 -2.448 -16.574 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.726 -0.114 -15.585 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.322 -0.299 -15.962 1.00 0.00 H new ATOM 900 N ASN A 113 2.437 -7.792 -17.412 1.00 0.00 N ATOM 901 CA ASN A 113 2.785 -8.943 -18.228 1.00 0.00 C ATOM 902 C ASN A 113 3.897 -8.553 -19.204 1.00 0.00 C ATOM 903 O ASN A 113 4.730 -9.382 -19.564 1.00 0.00 O ATOM 904 CB ASN A 113 1.584 -9.421 -19.047 1.00 0.00 C ATOM 905 CG ASN A 113 0.422 -9.819 -18.135 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.473 -10.800 -17.412 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.627 -9.003 -18.208 1.00 0.00 N ATOM 0 H ASN A 113 1.443 -7.565 -17.397 1.00 0.00 H new ATOM 0 HA ASN A 113 3.109 -9.743 -17.562 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.264 -8.630 -19.725 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.875 -10.272 -19.663 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.453 -9.182 -17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.605 -8.198 -18.835 1.00 0.00 H new