USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -1.45 X(o=-0.94,f=-0.91) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.51 K(o=-0.94,f=-9.9!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.436 K(o=0.085,f=-2.4!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.522 K(o=0.085,f=-3.5!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.883! C(o=-1.2!,f=-4.9!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -0.354 X(o=-1.2,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.012) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.527 (180deg=-0.664) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 7:sc= 0.0154 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.114 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0619 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 3.831 11.215 4.747 1.00 0.00 N ATOM 12 CA ASP A 2 3.207 9.911 4.895 1.00 0.00 C ATOM 13 C ASP A 2 2.165 9.720 3.791 1.00 0.00 C ATOM 14 O ASP A 2 2.065 8.643 3.205 1.00 0.00 O ATOM 15 CB ASP A 2 2.495 9.791 6.244 1.00 0.00 C ATOM 16 CG ASP A 2 2.801 10.912 7.239 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.032 11.875 7.372 1.00 0.00 O ATOM 18 OD2 ASP A 2 3.898 10.766 7.903 1.00 0.00 O ATOM 0 HA ASP A 2 3.989 9.154 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.419 9.765 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.767 8.838 6.698 1.00 0.00 H new ATOM 24 N ASP A 3 1.415 10.783 3.540 1.00 0.00 N ATOM 25 CA ASP A 3 0.384 10.747 2.517 1.00 0.00 C ATOM 26 C ASP A 3 1.042 10.666 1.138 1.00 0.00 C ATOM 27 O ASP A 3 1.771 11.573 0.740 1.00 0.00 O ATOM 28 CB ASP A 3 -0.476 12.012 2.557 1.00 0.00 C ATOM 29 CG ASP A 3 -0.464 12.761 3.891 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.347 12.568 4.740 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.517 13.584 4.045 1.00 0.00 O ATOM 0 H ASP A 3 1.501 11.675 4.028 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.245 9.877 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.135 12.690 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.505 11.741 2.319 1.00 0.00 H new ATOM 37 N ILE A 4 0.761 9.571 0.447 1.00 0.00 N ATOM 38 CA ILE A 4 1.317 9.360 -0.879 1.00 0.00 C ATOM 39 C ILE A 4 0.194 8.965 -1.841 1.00 0.00 C ATOM 40 O ILE A 4 -0.575 8.047 -1.560 1.00 0.00 O ATOM 41 CB ILE A 4 2.464 8.349 -0.824 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.589 8.844 0.086 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.967 8.014 -2.229 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.871 8.041 -0.140 1.00 0.00 C ATOM 0 H ILE A 4 0.156 8.821 0.780 1.00 0.00 H new ATOM 0 HA ILE A 4 1.754 10.283 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 4 2.084 7.424 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.779 9.900 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.282 8.760 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.782 7.293 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.153 7.587 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.325 8.922 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.655 8.414 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.684 6.989 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.189 8.147 -1.177 1.00 0.00 H new ATOM 56 N VAL A 5 0.136 9.679 -2.956 1.00 0.00 N ATOM 57 CA VAL A 5 -0.880 9.415 -3.961 1.00 0.00 C ATOM 58 C VAL A 5 -0.286 8.530 -5.059 1.00 0.00 C ATOM 59 O VAL A 5 0.678 8.917 -5.719 1.00 0.00 O ATOM 60 CB VAL A 5 -1.444 10.733 -4.494 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.434 10.485 -5.633 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.091 11.546 -3.371 1.00 0.00 C ATOM 0 H VAL A 5 0.776 10.440 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.718 8.872 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.614 11.316 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.820 11.438 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.929 9.966 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.260 9.873 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.484 12.478 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.905 10.971 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.346 11.768 -2.607 1.00 0.00 H new ATOM 72 N LEU A 6 -0.887 7.360 -5.222 1.00 0.00 N ATOM 73 CA LEU A 6 -0.429 6.418 -6.229 1.00 0.00 C ATOM 74 C LEU A 6 -1.266 6.590 -7.499 1.00 0.00 C ATOM 75 O LEU A 6 -2.464 6.315 -7.499 1.00 0.00 O ATOM 76 CB LEU A 6 -0.440 4.993 -5.674 1.00 0.00 C ATOM 77 CG LEU A 6 0.513 4.720 -4.509 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.130 3.431 -3.777 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.967 4.699 -4.983 1.00 0.00 C ATOM 0 H LEU A 6 -1.687 7.043 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 6 0.607 6.622 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.454 4.758 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.197 4.306 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 6 0.420 5.537 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.823 3.260 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.883 3.522 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.177 2.591 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.623 4.503 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.095 3.915 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.220 5.664 -5.423 1.00 0.00 H new ATOM 91 N LYS A 7 -0.600 7.044 -8.551 1.00 0.00 N ATOM 92 CA LYS A 7 -1.267 7.256 -9.824 1.00 0.00 C ATOM 93 C LYS A 7 -1.717 5.907 -10.390 1.00 0.00 C ATOM 94 O LYS A 7 -0.941 4.953 -10.422 1.00 0.00 O ATOM 95 CB LYS A 7 -0.369 8.052 -10.773 1.00 0.00 C ATOM 96 CG LYS A 7 0.819 7.209 -11.241 1.00 0.00 C ATOM 97 CD LYS A 7 2.142 7.928 -10.971 1.00 0.00 C ATOM 98 CE LYS A 7 2.919 7.241 -9.846 1.00 0.00 C ATOM 99 NZ LYS A 7 4.114 8.034 -9.482 1.00 0.00 N ATOM 0 H LYS A 7 0.394 7.271 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.164 7.861 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.948 8.382 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.007 8.949 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.812 6.248 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.725 7.002 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.745 7.941 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.948 8.966 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.277 7.119 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.220 6.242 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.630 7.554 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.734 8.128 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.819 8.978 -9.161 1.00 0.00 H new ATOM 112 N ALA A 8 -2.969 5.871 -10.821 1.00 0.00 N ATOM 113 CA ALA A 8 -3.532 4.655 -11.384 1.00 0.00 C ATOM 114 C ALA A 8 -4.562 5.022 -12.453 1.00 0.00 C ATOM 115 O ALA A 8 -5.386 5.912 -12.247 1.00 0.00 O ATOM 116 CB ALA A 8 -4.132 3.804 -10.263 1.00 0.00 C ATOM 0 H ALA A 8 -3.610 6.664 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.756 4.060 -11.865 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.554 2.892 -10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.353 3.545 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.917 4.368 -9.759 1.00 0.00 H new ATOM 122 N LYS A 9 -4.483 4.318 -13.573 1.00 0.00 N ATOM 123 CA LYS A 9 -5.399 4.559 -14.675 1.00 0.00 C ATOM 124 C LYS A 9 -6.797 4.076 -14.285 1.00 0.00 C ATOM 125 O LYS A 9 -7.759 4.287 -15.023 1.00 0.00 O ATOM 126 CB LYS A 9 -4.866 3.925 -15.962 1.00 0.00 C ATOM 127 CG LYS A 9 -4.963 2.399 -15.903 1.00 0.00 C ATOM 128 CD LYS A 9 -5.100 1.804 -17.306 1.00 0.00 C ATOM 129 CE LYS A 9 -5.868 0.482 -17.268 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.098 -0.584 -17.948 1.00 0.00 N ATOM 0 H LYS A 9 -3.799 3.581 -13.741 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.476 5.627 -14.880 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.433 4.296 -16.816 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.828 4.221 -16.115 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.076 1.993 -15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.820 2.109 -15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.617 2.510 -17.956 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.111 1.642 -17.734 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.061 0.196 -16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.837 0.604 -17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.633 -1.475 -17.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.935 -0.316 -18.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.183 -0.711 -17.469 1.00 0.00 H new ATOM 143 N ASN A 10 -6.866 3.438 -13.126 1.00 0.00 N ATOM 144 CA ASN A 10 -8.131 2.923 -12.629 1.00 0.00 C ATOM 145 C ASN A 10 -8.515 3.673 -11.352 1.00 0.00 C ATOM 146 O ASN A 10 -9.246 3.146 -10.515 1.00 0.00 O ATOM 147 CB ASN A 10 -8.026 1.435 -12.290 1.00 0.00 C ATOM 148 CG ASN A 10 -9.206 0.655 -12.873 1.00 0.00 C ATOM 149 OD1 ASN A 10 -9.379 0.548 -14.076 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.005 0.118 -11.956 1.00 0.00 N ATOM 0 H ASN A 10 -6.066 3.266 -12.517 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.881 3.063 -13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.091 1.034 -12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.999 1.306 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.821 -0.422 -12.244 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.802 0.246 -10.965 1.00 0.00 H new ATOM 157 N GLY A 11 -8.004 4.891 -11.242 1.00 0.00 N ATOM 158 CA GLY A 11 -8.285 5.718 -10.081 1.00 0.00 C ATOM 159 C GLY A 11 -7.102 5.718 -9.110 1.00 0.00 C ATOM 160 O GLY A 11 -6.643 4.659 -8.684 1.00 0.00 O ATOM 0 H GLY A 11 -7.397 5.325 -11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.499 6.738 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.177 5.349 -9.574 1.00 0.00 H new ATOM 164 N ASP A 12 -6.643 6.918 -8.788 1.00 0.00 N ATOM 165 CA ASP A 12 -5.523 7.070 -7.874 1.00 0.00 C ATOM 166 C ASP A 12 -5.854 6.383 -6.549 1.00 0.00 C ATOM 167 O ASP A 12 -7.024 6.193 -6.219 1.00 0.00 O ATOM 168 CB ASP A 12 -5.245 8.547 -7.585 1.00 0.00 C ATOM 169 CG ASP A 12 -6.245 9.220 -6.643 1.00 0.00 C ATOM 170 OD1 ASP A 12 -5.984 9.378 -5.441 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.348 9.595 -7.197 1.00 0.00 O ATOM 0 H ASP A 12 -7.026 7.794 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.645 6.622 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.247 8.636 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.235 9.091 -8.529 1.00 0.00 H new ATOM 177 N VAL A 13 -4.803 6.027 -5.824 1.00 0.00 N ATOM 178 CA VAL A 13 -4.968 5.364 -4.542 1.00 0.00 C ATOM 179 C VAL A 13 -4.278 6.189 -3.454 1.00 0.00 C ATOM 180 O VAL A 13 -3.120 6.576 -3.603 1.00 0.00 O ATOM 181 CB VAL A 13 -4.446 3.928 -4.624 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.621 3.204 -3.288 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.130 3.160 -5.757 1.00 0.00 C ATOM 0 H VAL A 13 -3.834 6.185 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.024 5.297 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.379 3.971 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.242 2.186 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.068 3.733 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.678 3.177 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.741 2.142 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.205 3.131 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.932 3.658 -6.706 1.00 0.00 H new ATOM 193 N LYS A 14 -5.018 6.435 -2.383 1.00 0.00 N ATOM 194 CA LYS A 14 -4.492 7.207 -1.270 1.00 0.00 C ATOM 195 C LYS A 14 -3.872 6.257 -0.244 1.00 0.00 C ATOM 196 O LYS A 14 -4.577 5.468 0.383 1.00 0.00 O ATOM 197 CB LYS A 14 -5.576 8.116 -0.689 1.00 0.00 C ATOM 198 CG LYS A 14 -4.962 9.218 0.177 1.00 0.00 C ATOM 199 CD LYS A 14 -4.220 8.623 1.375 1.00 0.00 C ATOM 200 CE LYS A 14 -4.090 9.649 2.503 1.00 0.00 C ATOM 201 NZ LYS A 14 -3.760 8.976 3.780 1.00 0.00 N ATOM 0 H LYS A 14 -5.978 6.113 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.698 7.873 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.152 8.564 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.270 7.524 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.274 9.815 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.746 9.890 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.753 7.744 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.229 8.290 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.314 10.374 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.023 10.204 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.095 9.557 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.223 8.045 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.730 8.853 3.851 1.00 0.00 H new ATOM 214 N PHE A 15 -2.559 6.364 -0.104 1.00 0.00 N ATOM 215 CA PHE A 15 -1.835 5.524 0.836 1.00 0.00 C ATOM 216 C PHE A 15 -1.210 6.363 1.952 1.00 0.00 C ATOM 217 O PHE A 15 -0.424 7.279 1.718 1.00 0.00 O ATOM 218 CB PHE A 15 -0.720 4.831 0.049 1.00 0.00 C ATOM 219 CG PHE A 15 0.177 3.932 0.903 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.371 2.940 1.654 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.523 4.126 0.911 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.461 2.106 2.446 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.356 3.293 1.703 1.00 0.00 C ATOM 224 CZ PHE A 15 1.807 2.300 2.454 1.00 0.00 C ATOM 0 H PHE A 15 -1.977 7.020 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.515 4.807 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.167 4.232 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.104 5.590 -0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.440 2.786 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.958 4.914 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.025 1.318 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.425 3.447 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.440 1.666 3.057 1.00 0.00 H new ATOM 234 N PRO A 16 -1.582 6.024 3.188 1.00 0.00 N ATOM 235 CA PRO A 16 -1.115 6.680 4.390 1.00 0.00 C ATOM 236 C PRO A 16 0.188 6.040 4.847 1.00 0.00 C ATOM 237 O PRO A 16 0.139 5.055 5.583 1.00 0.00 O ATOM 238 CB PRO A 16 -2.224 6.457 5.416 1.00 0.00 C ATOM 239 CG PRO A 16 -2.759 5.075 4.999 1.00 0.00 C ATOM 240 CD PRO A 16 -2.504 4.953 3.499 1.00 0.00 C ATOM 0 HA PRO A 16 -0.914 7.741 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.843 6.458 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.993 7.227 5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.252 4.280 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.822 4.986 5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.079 3.981 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.430 5.052 2.932 1.00 0.00 H new ATOM 248 N HIS A 17 1.309 6.596 4.412 1.00 0.00 N ATOM 249 CA HIS A 17 2.606 6.061 4.789 1.00 0.00 C ATOM 250 C HIS A 17 2.945 6.494 6.216 1.00 0.00 C ATOM 251 O HIS A 17 4.024 7.030 6.466 1.00 0.00 O ATOM 252 CB HIS A 17 3.677 6.468 3.775 1.00 0.00 C ATOM 253 CG HIS A 17 5.029 5.845 4.027 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.887 6.290 5.018 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.662 4.808 3.407 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.984 5.547 4.986 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.842 4.629 3.987 1.00 0.00 N ATOM 0 H HIS A 17 1.346 7.412 3.802 1.00 0.00 H new ATOM 0 HA HIS A 17 2.572 4.972 4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.341 6.191 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.780 7.553 3.787 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.706 7.059 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.269 4.230 2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.840 5.650 5.637 1.00 0.00 H new ATOM 265 N LYS A 18 2.004 6.246 7.115 1.00 0.00 N ATOM 266 CA LYS A 18 2.190 6.604 8.511 1.00 0.00 C ATOM 267 C LYS A 18 1.589 5.511 9.398 1.00 0.00 C ATOM 268 O LYS A 18 2.316 4.791 10.080 1.00 0.00 O ATOM 269 CB LYS A 18 1.624 7.999 8.786 1.00 0.00 C ATOM 270 CG LYS A 18 1.082 8.099 10.213 1.00 0.00 C ATOM 271 CD LYS A 18 1.118 9.544 10.714 1.00 0.00 C ATOM 272 CE LYS A 18 1.832 9.639 12.064 1.00 0.00 C ATOM 273 NZ LYS A 18 3.225 10.105 11.882 1.00 0.00 N ATOM 0 H LYS A 18 1.111 5.801 6.904 1.00 0.00 H new ATOM 0 HA LYS A 18 3.252 6.662 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.402 8.747 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.828 8.219 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.059 7.725 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.673 7.466 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.628 10.173 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.101 9.925 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.295 10.326 12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.829 8.665 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.695 10.164 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.739 9.435 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.221 11.044 11.435 1.00 0.00 H new ATOM 286 N ALA A 19 0.268 5.422 9.359 1.00 0.00 N ATOM 287 CA ALA A 19 -0.439 4.429 10.150 1.00 0.00 C ATOM 288 C ALA A 19 0.133 3.043 9.849 1.00 0.00 C ATOM 289 O ALA A 19 0.041 2.137 10.676 1.00 0.00 O ATOM 290 CB ALA A 19 -1.939 4.518 9.859 1.00 0.00 C ATOM 0 H ALA A 19 -0.332 6.021 8.792 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.302 4.617 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.470 3.773 10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.301 5.513 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.116 4.331 8.800 1.00 0.00 H new ATOM 296 N HIS A 20 0.710 2.920 8.663 1.00 0.00 N ATOM 297 CA HIS A 20 1.296 1.659 8.242 1.00 0.00 C ATOM 298 C HIS A 20 2.635 1.454 8.953 1.00 0.00 C ATOM 299 O HIS A 20 3.292 0.431 8.764 1.00 0.00 O ATOM 300 CB HIS A 20 1.418 1.598 6.718 1.00 0.00 C ATOM 301 CG HIS A 20 0.127 1.258 6.012 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.795 2.217 5.632 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.384 0.056 5.621 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.812 1.609 5.040 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.556 0.269 5.035 1.00 0.00 N ATOM 0 H HIS A 20 0.784 3.674 7.980 1.00 0.00 H new ATOM 0 HA HIS A 20 0.642 0.836 8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.777 2.561 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.171 0.856 6.453 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.707 3.222 5.782 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.085 -0.906 5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.689 2.089 4.633 1.00 0.00 H new ATOM 313 N GLN A 21 3.001 2.443 9.755 1.00 0.00 N ATOM 314 CA GLN A 21 4.250 2.384 10.495 1.00 0.00 C ATOM 315 C GLN A 21 4.012 1.810 11.893 1.00 0.00 C ATOM 316 O GLN A 21 4.685 0.866 12.303 1.00 0.00 O ATOM 317 CB GLN A 21 4.908 3.763 10.572 1.00 0.00 C ATOM 318 CG GLN A 21 5.309 4.258 9.181 1.00 0.00 C ATOM 319 CD GLN A 21 5.992 5.625 9.261 1.00 0.00 C ATOM 320 OE1 GLN A 21 6.808 5.890 10.128 1.00 0.00 O ATOM 321 NE2 GLN A 21 5.614 6.475 8.311 1.00 0.00 N ATOM 0 H GLN A 21 2.454 3.290 9.909 1.00 0.00 H new ATOM 0 HA GLN A 21 4.934 1.722 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.220 4.473 11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.789 3.714 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.982 3.538 8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.425 4.326 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.926 6.189 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.012 7.413 8.278 1.00 0.00 H new ATOM 330 N LYS A 22 3.053 2.406 12.587 1.00 0.00 N ATOM 331 CA LYS A 22 2.718 1.966 13.930 1.00 0.00 C ATOM 332 C LYS A 22 2.110 0.564 13.867 1.00 0.00 C ATOM 333 O LYS A 22 2.202 -0.200 14.826 1.00 0.00 O ATOM 334 CB LYS A 22 1.821 2.994 14.622 1.00 0.00 C ATOM 335 CG LYS A 22 2.615 4.244 15.007 1.00 0.00 C ATOM 336 CD LYS A 22 3.016 4.205 16.483 1.00 0.00 C ATOM 337 CE LYS A 22 2.585 5.485 17.203 1.00 0.00 C ATOM 338 NZ LYS A 22 3.640 5.935 18.138 1.00 0.00 N ATOM 0 H LYS A 22 2.498 3.190 12.244 1.00 0.00 H new ATOM 0 HA LYS A 22 3.617 1.896 14.543 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.000 3.270 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.376 2.552 15.514 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.508 4.318 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.016 5.134 14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.559 3.341 16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.096 4.082 16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.380 6.268 16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.659 5.308 17.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.331 6.804 18.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.816 5.193 18.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.515 6.124 17.609 1.00 0.00 H new ATOM 351 N ALA A 23 1.503 0.267 12.727 1.00 0.00 N ATOM 352 CA ALA A 23 0.881 -1.030 12.526 1.00 0.00 C ATOM 353 C ALA A 23 1.946 -2.041 12.098 1.00 0.00 C ATOM 354 O ALA A 23 1.817 -3.235 12.367 1.00 0.00 O ATOM 355 CB ALA A 23 -0.247 -0.902 11.499 1.00 0.00 C ATOM 0 H ALA A 23 1.429 0.903 11.933 1.00 0.00 H new ATOM 0 HA ALA A 23 0.438 -1.391 13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.714 -1.875 11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.992 -0.195 11.863 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.161 -0.545 10.553 1.00 0.00 H new ATOM 361 N VAL A 24 2.975 -1.527 11.440 1.00 0.00 N ATOM 362 CA VAL A 24 4.062 -2.370 10.973 1.00 0.00 C ATOM 363 C VAL A 24 5.393 -1.652 11.201 1.00 0.00 C ATOM 364 O VAL A 24 6.130 -1.334 10.271 1.00 0.00 O ATOM 365 CB VAL A 24 3.833 -2.756 9.510 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.961 -3.654 8.997 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.471 -3.428 9.326 1.00 0.00 C ATOM 0 H VAL A 24 3.079 -0.537 11.219 1.00 0.00 H new ATOM 0 HA VAL A 24 4.094 -3.301 11.540 1.00 0.00 H new ATOM 0 HB VAL A 24 3.837 -1.841 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.774 -3.914 7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.911 -3.125 9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.003 -4.564 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.334 -3.692 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.425 -4.330 9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.682 -2.741 9.633 1.00 0.00 H new ATOM 377 N PRO A 25 5.687 -1.401 12.479 1.00 0.00 N ATOM 378 CA PRO A 25 6.892 -0.734 12.922 1.00 0.00 C ATOM 379 C PRO A 25 8.079 -1.228 12.107 1.00 0.00 C ATOM 380 O PRO A 25 9.047 -0.484 11.955 1.00 0.00 O ATOM 381 CB PRO A 25 7.037 -1.125 14.392 1.00 0.00 C ATOM 382 CG PRO A 25 5.591 -1.262 14.832 1.00 0.00 C ATOM 383 CD PRO A 25 4.843 -1.761 13.597 1.00 0.00 C ATOM 0 HA PRO A 25 6.849 0.348 12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.589 -2.057 14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.567 -0.364 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.496 -1.964 15.660 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.192 -0.308 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.683 -2.838 13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.860 -1.296 13.516 1.00 0.00 H new ATOM 391 N ASP A 26 7.987 -2.451 11.607 1.00 0.00 N ATOM 392 CA ASP A 26 9.066 -3.019 10.815 1.00 0.00 C ATOM 393 C ASP A 26 8.989 -2.469 9.389 1.00 0.00 C ATOM 394 O ASP A 26 8.036 -2.748 8.663 1.00 0.00 O ATOM 395 CB ASP A 26 8.952 -4.543 10.741 1.00 0.00 C ATOM 396 CG ASP A 26 10.073 -5.238 9.967 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.926 -5.557 8.778 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.150 -5.454 10.644 1.00 0.00 O ATOM 0 H ASP A 26 7.182 -3.065 11.734 1.00 0.00 H new ATOM 0 HA ASP A 26 10.010 -2.751 11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.931 -4.940 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.999 -4.799 10.279 1.00 0.00 H new ATOM 404 N CYS A 27 10.005 -1.698 9.031 1.00 0.00 N ATOM 405 CA CYS A 27 10.065 -1.107 7.705 1.00 0.00 C ATOM 406 C CYS A 27 10.658 -2.139 6.745 1.00 0.00 C ATOM 407 O CYS A 27 10.558 -1.990 5.528 1.00 0.00 O ATOM 408 CB CYS A 27 10.863 0.199 7.703 1.00 0.00 C ATOM 409 SG CYS A 27 10.690 1.206 9.221 1.00 0.00 S ATOM 0 H CYS A 27 10.793 -1.469 9.636 1.00 0.00 H new ATOM 0 HA CYS A 27 9.060 -0.843 7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.917 -0.036 7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.550 0.799 6.848 1.00 0.00 H new ATOM 0 HG CYS A 27 10.013 0.540 10.109 1.00 0.00 H new ATOM 414 N LYS A 28 11.263 -3.164 7.328 1.00 0.00 N ATOM 415 CA LYS A 28 11.873 -4.221 6.539 1.00 0.00 C ATOM 416 C LYS A 28 10.779 -5.148 6.005 1.00 0.00 C ATOM 417 O LYS A 28 11.062 -6.078 5.251 1.00 0.00 O ATOM 418 CB LYS A 28 12.948 -4.944 7.352 1.00 0.00 C ATOM 419 CG LYS A 28 14.126 -4.014 7.652 1.00 0.00 C ATOM 420 CD LYS A 28 15.458 -4.756 7.518 1.00 0.00 C ATOM 421 CE LYS A 28 15.729 -5.622 8.750 1.00 0.00 C ATOM 422 NZ LYS A 28 17.144 -5.503 9.166 1.00 0.00 N ATOM 0 H LYS A 28 11.344 -3.285 8.338 1.00 0.00 H new ATOM 0 HA LYS A 28 12.388 -3.802 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.520 -5.307 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.300 -5.817 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.108 -3.166 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.029 -3.612 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.442 -5.382 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.267 -4.037 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.076 -5.316 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.495 -6.663 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.311 -6.097 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.761 -5.817 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.356 -4.511 9.397 1.00 0.00 H new ATOM 435 N LYS A 29 9.552 -4.863 6.418 1.00 0.00 N ATOM 436 CA LYS A 29 8.415 -5.659 5.990 1.00 0.00 C ATOM 437 C LYS A 29 8.178 -5.441 4.494 1.00 0.00 C ATOM 438 O LYS A 29 8.088 -6.401 3.730 1.00 0.00 O ATOM 439 CB LYS A 29 7.192 -5.355 6.857 1.00 0.00 C ATOM 440 CG LYS A 29 7.041 -6.389 7.975 1.00 0.00 C ATOM 441 CD LYS A 29 6.488 -7.708 7.431 1.00 0.00 C ATOM 442 CE LYS A 29 5.086 -7.982 7.978 1.00 0.00 C ATOM 443 NZ LYS A 29 4.987 -9.372 8.477 1.00 0.00 N ATOM 0 H LYS A 29 9.321 -4.092 7.044 1.00 0.00 H new ATOM 0 HA LYS A 29 8.620 -6.721 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.287 -4.359 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.295 -5.350 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.008 -6.563 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.375 -6.002 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.457 -7.672 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.155 -8.526 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.861 -7.283 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.345 -7.816 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.029 -9.541 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.182 -10.035 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.681 -9.518 9.238 1.00 0.00 H new ATOM 456 N CYS A 30 8.085 -4.173 4.121 1.00 0.00 N ATOM 457 CA CYS A 30 7.860 -3.817 2.731 1.00 0.00 C ATOM 458 C CYS A 30 9.213 -3.496 2.093 1.00 0.00 C ATOM 459 O CYS A 30 9.570 -4.070 1.065 1.00 0.00 O ATOM 460 CB CYS A 30 6.876 -2.653 2.597 1.00 0.00 C ATOM 461 SG CYS A 30 5.475 -2.882 3.752 1.00 0.00 S ATOM 0 H CYS A 30 8.161 -3.380 4.758 1.00 0.00 H new ATOM 0 HA CYS A 30 7.402 -4.656 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.383 -1.711 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.508 -2.593 1.573 1.00 0.00 H new ATOM 0 HG CYS A 30 4.647 -1.887 3.632 1.00 0.00 H new ATOM 466 N HIS A 31 9.929 -2.580 2.728 1.00 0.00 N ATOM 467 CA HIS A 31 11.235 -2.177 2.236 1.00 0.00 C ATOM 468 C HIS A 31 12.232 -3.322 2.425 1.00 0.00 C ATOM 469 O HIS A 31 12.543 -3.698 3.554 1.00 0.00 O ATOM 470 CB HIS A 31 11.690 -0.878 2.904 1.00 0.00 C ATOM 471 CG HIS A 31 10.778 0.298 2.646 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.560 0.814 1.381 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.031 1.051 3.503 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.719 1.832 1.484 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.392 1.978 2.800 1.00 0.00 N ATOM 0 H HIS A 31 9.629 -2.105 3.579 1.00 0.00 H new ATOM 0 HA HIS A 31 11.176 -1.967 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.761 -1.040 3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.692 -0.632 2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.970 0.916 4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.356 2.440 0.669 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.761 2.683 3.181 1.00 0.00 H new ATOM 483 N GLU A 32 12.705 -3.844 1.303 1.00 0.00 N ATOM 484 CA GLU A 32 13.660 -4.938 1.331 1.00 0.00 C ATOM 485 C GLU A 32 15.077 -4.412 1.097 1.00 0.00 C ATOM 486 O GLU A 32 16.001 -4.757 1.832 1.00 0.00 O ATOM 487 CB GLU A 32 13.296 -6.010 0.302 1.00 0.00 C ATOM 488 CG GLU A 32 13.145 -7.380 0.967 1.00 0.00 C ATOM 489 CD GLU A 32 11.896 -8.102 0.459 1.00 0.00 C ATOM 490 OE1 GLU A 32 10.774 -7.615 0.659 1.00 0.00 O ATOM 491 OE2 GLU A 32 12.122 -9.208 -0.166 1.00 0.00 O ATOM 0 H GLU A 32 12.444 -3.529 0.368 1.00 0.00 H new ATOM 0 HA GLU A 32 13.624 -5.401 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.365 -5.739 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.067 -6.058 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.028 -7.986 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.084 -7.258 2.048 1.00 0.00 H new ATOM 499 N LYS A 33 15.205 -3.585 0.069 1.00 0.00 N ATOM 500 CA LYS A 33 16.494 -3.008 -0.271 1.00 0.00 C ATOM 501 C LYS A 33 16.654 -1.667 0.448 1.00 0.00 C ATOM 502 O LYS A 33 17.329 -0.768 -0.050 1.00 0.00 O ATOM 503 CB LYS A 33 16.654 -2.914 -1.790 1.00 0.00 C ATOM 504 CG LYS A 33 16.654 -4.304 -2.429 1.00 0.00 C ATOM 505 CD LYS A 33 17.805 -4.449 -3.427 1.00 0.00 C ATOM 506 CE LYS A 33 17.333 -5.130 -4.713 1.00 0.00 C ATOM 507 NZ LYS A 33 17.493 -4.222 -5.870 1.00 0.00 N ATOM 0 H LYS A 33 14.437 -3.301 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 33 17.303 -3.653 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.843 -2.318 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.585 -2.400 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.743 -5.065 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.704 -4.475 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.214 -3.466 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.610 -5.031 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.904 -6.043 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.287 -5.422 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.168 -4.700 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.929 -3.362 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.495 -3.964 -5.973 1.00 0.00 H new ATOM 520 N GLY A 34 16.022 -1.576 1.609 1.00 0.00 N ATOM 521 CA GLY A 34 16.086 -0.361 2.403 1.00 0.00 C ATOM 522 C GLY A 34 14.890 0.548 2.111 1.00 0.00 C ATOM 523 O GLY A 34 14.097 0.311 1.203 1.00 0.00 O ATOM 0 H GLY A 34 15.463 -2.324 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.104 -0.615 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.013 0.171 2.187 1.00 0.00 H new ATOM 527 N PRO A 35 14.778 1.608 2.915 1.00 0.00 N ATOM 528 CA PRO A 35 13.726 2.597 2.818 1.00 0.00 C ATOM 529 C PRO A 35 13.885 3.387 1.527 1.00 0.00 C ATOM 530 O PRO A 35 15.012 3.732 1.177 1.00 0.00 O ATOM 531 CB PRO A 35 13.920 3.496 4.037 1.00 0.00 C ATOM 532 CG PRO A 35 14.882 2.772 4.964 1.00 0.00 C ATOM 533 CD PRO A 35 15.692 1.917 3.992 1.00 0.00 C ATOM 0 HA PRO A 35 12.729 2.156 2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.322 4.466 3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.969 3.683 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.514 3.467 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.357 2.163 5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.566 2.456 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.056 1.009 4.473 1.00 0.00 H new ATOM 541 N GLY A 36 12.776 3.653 0.853 1.00 0.00 N ATOM 542 CA GLY A 36 12.818 4.400 -0.393 1.00 0.00 C ATOM 543 C GLY A 36 11.800 3.851 -1.395 1.00 0.00 C ATOM 544 O GLY A 36 10.871 3.141 -1.016 1.00 0.00 O ATOM 0 H GLY A 36 11.843 3.365 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.611 5.452 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.819 4.346 -0.820 1.00 0.00 H new ATOM 548 N LYS A 37 12.011 4.202 -2.656 1.00 0.00 N ATOM 549 CA LYS A 37 11.125 3.753 -3.716 1.00 0.00 C ATOM 550 C LYS A 37 11.289 2.244 -3.908 1.00 0.00 C ATOM 551 O LYS A 37 12.352 1.692 -3.629 1.00 0.00 O ATOM 552 CB LYS A 37 11.360 4.565 -4.991 1.00 0.00 C ATOM 553 CG LYS A 37 10.547 5.861 -4.974 1.00 0.00 C ATOM 554 CD LYS A 37 11.448 7.070 -4.713 1.00 0.00 C ATOM 555 CE LYS A 37 11.461 8.014 -5.918 1.00 0.00 C ATOM 556 NZ LYS A 37 12.777 8.682 -6.039 1.00 0.00 N ATOM 0 H LYS A 37 12.783 4.792 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 37 10.085 3.928 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.420 4.798 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.084 3.970 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.033 5.985 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.779 5.802 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.098 7.606 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.462 6.733 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.246 7.454 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.675 8.762 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.769 9.319 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.968 9.232 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.520 7.965 -6.164 1.00 0.00 H new ATOM 569 N ILE A 38 10.220 1.621 -4.383 1.00 0.00 N ATOM 570 CA ILE A 38 10.233 0.187 -4.615 1.00 0.00 C ATOM 571 C ILE A 38 10.209 -0.081 -6.122 1.00 0.00 C ATOM 572 O ILE A 38 9.262 0.299 -6.808 1.00 0.00 O ATOM 573 CB ILE A 38 9.093 -0.490 -3.852 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.179 -0.185 -2.355 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.064 -1.994 -4.130 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.884 -0.578 -1.640 1.00 0.00 C ATOM 0 H ILE A 38 9.340 2.083 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 38 11.151 -0.254 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 38 8.150 -0.079 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.018 -0.726 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.372 0.878 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.244 -2.451 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.919 -2.164 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.008 -2.440 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.972 -0.351 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.050 -0.018 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.707 -1.646 -1.769 1.00 0.00 H new ATOM 588 N GLU A 39 11.261 -0.735 -6.591 1.00 0.00 N ATOM 589 CA GLU A 39 11.373 -1.058 -8.003 1.00 0.00 C ATOM 590 C GLU A 39 10.609 -2.347 -8.314 1.00 0.00 C ATOM 591 O GLU A 39 10.806 -3.365 -7.651 1.00 0.00 O ATOM 592 CB GLU A 39 12.839 -1.174 -8.425 1.00 0.00 C ATOM 593 CG GLU A 39 13.401 0.190 -8.833 1.00 0.00 C ATOM 594 CD GLU A 39 14.009 0.135 -10.236 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.994 -0.585 -10.457 1.00 0.00 O ATOM 596 OE2 GLU A 39 13.421 0.875 -11.114 1.00 0.00 O ATOM 0 H GLU A 39 12.044 -1.050 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 39 10.927 -0.246 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.427 -1.582 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.928 -1.872 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.608 0.937 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.160 0.504 -8.116 1.00 0.00 H new ATOM 604 N GLY A 40 9.755 -2.263 -9.323 1.00 0.00 N ATOM 605 CA GLY A 40 8.961 -3.410 -9.730 1.00 0.00 C ATOM 606 C GLY A 40 7.487 -3.211 -9.373 1.00 0.00 C ATOM 607 O GLY A 40 6.603 -3.548 -10.159 1.00 0.00 O ATOM 0 H GLY A 40 9.595 -1.418 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.061 -3.563 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.339 -4.309 -9.243 1.00 0.00 H new ATOM 611 N PHE A 41 7.267 -2.665 -8.186 1.00 0.00 N ATOM 612 CA PHE A 41 5.915 -2.418 -7.714 1.00 0.00 C ATOM 613 C PHE A 41 4.984 -2.068 -8.877 1.00 0.00 C ATOM 614 O PHE A 41 5.418 -1.490 -9.872 1.00 0.00 O ATOM 615 CB PHE A 41 5.986 -1.226 -6.758 1.00 0.00 C ATOM 616 CG PHE A 41 4.647 -0.865 -6.112 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.208 -1.556 -5.025 1.00 0.00 C ATOM 618 CD2 PHE A 41 3.895 0.145 -6.624 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.965 -1.222 -4.426 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.651 0.480 -6.025 1.00 0.00 C ATOM 621 CZ PHE A 41 2.213 -0.211 -4.938 1.00 0.00 C ATOM 0 H PHE A 41 8.003 -2.387 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 41 5.523 -3.310 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.709 -1.446 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.361 -0.359 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.805 -2.359 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.243 0.693 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.616 -1.771 -3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.054 1.282 -6.432 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.268 0.043 -4.482 1.00 0.00 H new ATOM 631 N GLY A 42 3.722 -2.434 -8.713 1.00 0.00 N ATOM 632 CA GLY A 42 2.726 -2.167 -9.737 1.00 0.00 C ATOM 633 C GLY A 42 1.375 -2.778 -9.361 1.00 0.00 C ATOM 634 O GLY A 42 1.145 -3.120 -8.202 1.00 0.00 O ATOM 0 H GLY A 42 3.366 -2.913 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.617 -1.091 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.061 -2.575 -10.690 1.00 0.00 H new ATOM 638 N LYS A 43 0.516 -2.898 -10.363 1.00 0.00 N ATOM 639 CA LYS A 43 -0.806 -3.463 -10.152 1.00 0.00 C ATOM 640 C LYS A 43 -0.672 -4.814 -9.446 1.00 0.00 C ATOM 641 O LYS A 43 -0.910 -4.917 -8.244 1.00 0.00 O ATOM 642 CB LYS A 43 -1.576 -3.532 -11.472 1.00 0.00 C ATOM 643 CG LYS A 43 -3.064 -3.789 -11.226 1.00 0.00 C ATOM 644 CD LYS A 43 -3.618 -4.804 -12.228 1.00 0.00 C ATOM 645 CE LYS A 43 -4.982 -4.360 -12.761 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.792 -5.534 -13.156 1.00 0.00 N ATOM 0 H LYS A 43 0.710 -2.614 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.396 -2.819 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.450 -2.598 -12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.165 -4.325 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.210 -4.158 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.617 -2.853 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.920 -4.920 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.710 -5.779 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.509 -3.788 -11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.847 -3.699 -13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.714 -5.214 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.295 -6.064 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.937 -6.150 -12.330 1.00 0.00 H new ATOM 659 N GLU A 44 -0.292 -5.817 -10.224 1.00 0.00 N ATOM 660 CA GLU A 44 -0.124 -7.157 -9.689 1.00 0.00 C ATOM 661 C GLU A 44 0.429 -7.094 -8.264 1.00 0.00 C ATOM 662 O GLU A 44 0.030 -7.878 -7.404 1.00 0.00 O ATOM 663 CB GLU A 44 0.781 -7.998 -10.591 1.00 0.00 C ATOM 664 CG GLU A 44 0.019 -8.497 -11.820 1.00 0.00 C ATOM 665 CD GLU A 44 -1.172 -7.589 -12.132 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.286 -7.839 -11.649 1.00 0.00 O ATOM 667 OE2 GLU A 44 -0.909 -6.591 -12.907 1.00 0.00 O ATOM 0 H GLU A 44 -0.096 -5.728 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.101 -7.640 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.639 -7.404 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.171 -8.848 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.689 -8.532 -12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.330 -9.515 -11.647 1.00 0.00 H new ATOM 675 N MET A 45 1.339 -6.153 -8.057 1.00 0.00 N ATOM 676 CA MET A 45 1.951 -5.977 -6.751 1.00 0.00 C ATOM 677 C MET A 45 0.952 -5.387 -5.753 1.00 0.00 C ATOM 678 O MET A 45 0.731 -5.951 -4.683 1.00 0.00 O ATOM 679 CB MET A 45 3.160 -5.048 -6.874 1.00 0.00 C ATOM 680 CG MET A 45 4.382 -5.643 -6.172 1.00 0.00 C ATOM 681 SD MET A 45 4.228 -5.443 -4.405 1.00 0.00 S ATOM 682 CE MET A 45 5.761 -6.189 -3.874 1.00 0.00 C ATOM 0 H MET A 45 1.667 -5.504 -8.772 1.00 0.00 H new ATOM 0 HA MET A 45 2.269 -6.953 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.387 -4.879 -7.926 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.923 -4.077 -6.439 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.475 -6.700 -6.420 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.289 -5.152 -6.524 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.828 -6.148 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.792 -7.228 -4.201 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.600 -5.646 -4.310 1.00 0.00 H new ATOM 692 N ALA A 46 0.377 -4.258 -6.139 1.00 0.00 N ATOM 693 CA ALA A 46 -0.593 -3.584 -5.292 1.00 0.00 C ATOM 694 C ALA A 46 -1.665 -4.585 -4.856 1.00 0.00 C ATOM 695 O ALA A 46 -1.934 -4.732 -3.665 1.00 0.00 O ATOM 696 CB ALA A 46 -1.182 -2.388 -6.041 1.00 0.00 C ATOM 0 H ALA A 46 0.564 -3.792 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.114 -3.200 -4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.909 -1.883 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.384 -1.693 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.673 -2.734 -6.950 1.00 0.00 H new ATOM 702 N HIS A 47 -2.247 -5.247 -5.844 1.00 0.00 N ATOM 703 CA HIS A 47 -3.284 -6.230 -5.578 1.00 0.00 C ATOM 704 C HIS A 47 -2.657 -7.483 -4.964 1.00 0.00 C ATOM 705 O HIS A 47 -3.260 -8.127 -4.106 1.00 0.00 O ATOM 706 CB HIS A 47 -4.088 -6.529 -6.845 1.00 0.00 C ATOM 707 CG HIS A 47 -4.712 -5.309 -7.479 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.985 -5.224 -8.833 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.114 -4.127 -6.930 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.526 -4.039 -9.077 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.605 -3.360 -7.896 1.00 0.00 N ATOM 0 H HIS A 47 -2.021 -5.122 -6.831 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.994 -5.829 -4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.434 -7.010 -7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.875 -7.243 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.045 -3.860 -5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.848 -3.675 -10.041 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.979 -2.419 -7.775 1.00 0.00 H new ATOM 719 N GLY A 48 -1.455 -7.793 -5.426 1.00 0.00 N ATOM 720 CA GLY A 48 -0.740 -8.957 -4.933 1.00 0.00 C ATOM 721 C GLY A 48 -0.295 -8.754 -3.484 1.00 0.00 C ATOM 722 O GLY A 48 -1.057 -8.249 -2.661 1.00 0.00 O ATOM 0 H GLY A 48 -0.958 -7.257 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.380 -9.837 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.130 -9.147 -5.561 1.00 0.00 H new ATOM 726 N LYS A 49 0.938 -9.159 -3.215 1.00 0.00 N ATOM 727 CA LYS A 49 1.494 -9.028 -1.879 1.00 0.00 C ATOM 728 C LYS A 49 2.105 -7.634 -1.720 1.00 0.00 C ATOM 729 O LYS A 49 3.167 -7.483 -1.119 1.00 0.00 O ATOM 730 CB LYS A 49 2.476 -10.166 -1.593 1.00 0.00 C ATOM 731 CG LYS A 49 2.825 -10.228 -0.105 1.00 0.00 C ATOM 732 CD LYS A 49 4.183 -10.898 0.113 1.00 0.00 C ATOM 733 CE LYS A 49 4.012 -12.358 0.537 1.00 0.00 C ATOM 734 NZ LYS A 49 4.542 -13.266 -0.505 1.00 0.00 N ATOM 0 H LYS A 49 1.567 -9.578 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 49 0.708 -9.120 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.041 -11.114 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.385 -10.023 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.842 -9.220 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.053 -10.781 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.769 -10.848 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.741 -10.357 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.532 -12.533 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.957 -12.571 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.418 -14.253 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.027 -13.111 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.553 -13.073 -0.652 1.00 0.00 H new ATOM 747 N GLY A 50 1.407 -6.651 -2.269 1.00 0.00 N ATOM 748 CA GLY A 50 1.867 -5.275 -2.196 1.00 0.00 C ATOM 749 C GLY A 50 0.982 -4.449 -1.260 1.00 0.00 C ATOM 750 O GLY A 50 1.480 -3.786 -0.353 1.00 0.00 O ATOM 0 H GLY A 50 0.526 -6.780 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.898 -5.251 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.861 -4.833 -3.192 1.00 0.00 H new ATOM 754 N CYS A 51 -0.317 -4.518 -1.514 1.00 0.00 N ATOM 755 CA CYS A 51 -1.277 -3.785 -0.705 1.00 0.00 C ATOM 756 C CYS A 51 -2.314 -4.777 -0.174 1.00 0.00 C ATOM 757 O CYS A 51 -2.162 -5.310 0.925 1.00 0.00 O ATOM 758 CB CYS A 51 -1.928 -2.647 -1.493 1.00 0.00 C ATOM 759 SG CYS A 51 -0.763 -1.379 -2.114 1.00 0.00 S ATOM 0 H CYS A 51 -0.727 -5.070 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.765 -3.312 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.466 -3.072 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.668 -2.160 -0.857 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.421 -0.467 -2.767 1.00 0.00 H new ATOM 764 N LYS A 52 -3.344 -4.995 -0.978 1.00 0.00 N ATOM 765 CA LYS A 52 -4.405 -5.913 -0.603 1.00 0.00 C ATOM 766 C LYS A 52 -3.791 -7.167 0.024 1.00 0.00 C ATOM 767 O LYS A 52 -4.183 -7.575 1.117 1.00 0.00 O ATOM 768 CB LYS A 52 -5.310 -6.205 -1.801 1.00 0.00 C ATOM 769 CG LYS A 52 -6.266 -5.039 -2.063 1.00 0.00 C ATOM 770 CD LYS A 52 -7.671 -5.547 -2.395 1.00 0.00 C ATOM 771 CE LYS A 52 -7.738 -6.078 -3.828 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.966 -7.540 -3.829 1.00 0.00 N ATOM 0 H LYS A 52 -3.466 -4.551 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.050 -5.462 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.700 -6.386 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.882 -7.114 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.307 -4.393 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.890 -4.434 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.950 -6.337 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.393 -4.740 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.541 -5.578 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.810 -5.848 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.009 -7.884 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.186 -8.013 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.864 -7.752 -3.348 1.00 0.00 H new ATOM 785 N GLY A 53 -2.839 -7.743 -0.695 1.00 0.00 N ATOM 786 CA GLY A 53 -2.167 -8.942 -0.223 1.00 0.00 C ATOM 787 C GLY A 53 -2.124 -8.981 1.306 1.00 0.00 C ATOM 788 O GLY A 53 -2.713 -9.865 1.925 1.00 0.00 O ATOM 0 H GLY A 53 -2.517 -7.402 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.685 -9.825 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.152 -8.975 -0.620 1.00 0.00 H new ATOM 792 N CYS A 54 -1.421 -8.010 1.871 1.00 0.00 N ATOM 793 CA CYS A 54 -1.293 -7.922 3.315 1.00 0.00 C ATOM 794 C CYS A 54 -2.695 -7.793 3.915 1.00 0.00 C ATOM 795 O CYS A 54 -3.050 -8.528 4.835 1.00 0.00 O ATOM 796 CB CYS A 54 -0.385 -6.764 3.733 1.00 0.00 C ATOM 797 SG CYS A 54 -0.038 -6.857 5.528 1.00 0.00 S ATOM 0 H CYS A 54 -0.934 -7.278 1.354 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.818 -8.826 3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.548 -6.802 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.862 -5.813 3.495 1.00 0.00 H new ATOM 0 HG CYS A 54 0.735 -5.870 5.872 1.00 0.00 H new ATOM 802 N HIS A 55 -3.453 -6.854 3.369 1.00 0.00 N ATOM 803 CA HIS A 55 -4.808 -6.619 3.838 1.00 0.00 C ATOM 804 C HIS A 55 -5.539 -7.955 3.984 1.00 0.00 C ATOM 805 O HIS A 55 -5.812 -8.400 5.098 1.00 0.00 O ATOM 806 CB HIS A 55 -5.540 -5.640 2.918 1.00 0.00 C ATOM 807 CG HIS A 55 -5.007 -4.228 2.976 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.524 -3.200 2.207 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.000 -3.685 3.718 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.850 -2.093 2.482 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.905 -2.396 3.418 1.00 0.00 N ATOM 0 H HIS A 55 -3.155 -6.247 2.606 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.780 -6.150 4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.472 -6.001 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.597 -5.630 3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.293 -3.281 1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.384 -4.215 4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.019 -1.121 2.042 1.00 0.00 H new ATOM 819 N GLU A 56 -5.836 -8.558 2.842 1.00 0.00 N ATOM 820 CA GLU A 56 -6.530 -9.835 2.828 1.00 0.00 C ATOM 821 C GLU A 56 -5.775 -10.859 3.678 1.00 0.00 C ATOM 822 O GLU A 56 -6.351 -11.856 4.111 1.00 0.00 O ATOM 823 CB GLU A 56 -6.717 -10.342 1.397 1.00 0.00 C ATOM 824 CG GLU A 56 -5.540 -9.929 0.511 1.00 0.00 C ATOM 825 CD GLU A 56 -5.175 -11.045 -0.470 1.00 0.00 C ATOM 826 OE1 GLU A 56 -5.387 -12.229 -0.169 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.652 -10.646 -1.580 1.00 0.00 O ATOM 0 H GLU A 56 -5.609 -8.186 1.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.520 -9.692 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.810 -11.428 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.644 -9.944 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.795 -9.024 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.678 -9.690 1.133 1.00 0.00 H new ATOM 835 N GLU A 57 -4.498 -10.577 3.891 1.00 0.00 N ATOM 836 CA GLU A 57 -3.659 -11.461 4.682 1.00 0.00 C ATOM 837 C GLU A 57 -4.212 -11.588 6.103 1.00 0.00 C ATOM 838 O GLU A 57 -4.424 -12.696 6.594 1.00 0.00 O ATOM 839 CB GLU A 57 -2.210 -10.971 4.700 1.00 0.00 C ATOM 840 CG GLU A 57 -1.234 -12.138 4.535 1.00 0.00 C ATOM 841 CD GLU A 57 -1.545 -12.938 3.269 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.754 -12.348 2.198 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.565 -14.219 3.424 1.00 0.00 O ATOM 0 H GLU A 57 -4.024 -9.749 3.530 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.669 -12.448 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.057 -10.248 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.009 -10.454 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.213 -11.759 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.292 -12.791 5.406 1.00 0.00 H new ATOM 851 N MET A 58 -4.430 -10.438 6.724 1.00 0.00 N ATOM 852 CA MET A 58 -4.954 -10.407 8.079 1.00 0.00 C ATOM 853 C MET A 58 -6.455 -10.110 8.079 1.00 0.00 C ATOM 854 O MET A 58 -7.068 -9.991 9.139 1.00 0.00 O ATOM 855 CB MET A 58 -4.221 -9.333 8.885 1.00 0.00 C ATOM 856 CG MET A 58 -2.714 -9.599 8.909 1.00 0.00 C ATOM 857 SD MET A 58 -2.181 -9.943 10.577 1.00 0.00 S ATOM 858 CE MET A 58 -1.826 -8.285 11.137 1.00 0.00 C ATOM 0 H MET A 58 -4.253 -9.521 6.314 1.00 0.00 H new ATOM 0 HA MET A 58 -4.796 -11.385 8.533 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.414 -8.352 8.451 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.607 -9.312 9.904 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.475 -10.442 8.261 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.178 -8.734 8.518 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.478 -8.316 12.169 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.053 -7.846 10.507 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.730 -7.679 11.077 1.00 0.00 H new ATOM 868 N LYS A 59 -7.004 -9.998 6.878 1.00 0.00 N ATOM 869 CA LYS A 59 -8.422 -9.717 6.727 1.00 0.00 C ATOM 870 C LYS A 59 -8.694 -8.264 7.120 1.00 0.00 C ATOM 871 O LYS A 59 -9.845 -7.831 7.153 1.00 0.00 O ATOM 872 CB LYS A 59 -9.256 -10.733 7.509 1.00 0.00 C ATOM 873 CG LYS A 59 -9.887 -11.763 6.571 1.00 0.00 C ATOM 874 CD LYS A 59 -10.935 -11.111 5.666 1.00 0.00 C ATOM 875 CE LYS A 59 -12.344 -11.580 6.033 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.261 -11.416 4.883 1.00 0.00 N ATOM 0 H LYS A 59 -6.493 -10.097 6.001 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.724 -9.827 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.626 -11.240 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.038 -10.216 8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.112 -12.227 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.350 -12.557 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.874 -10.026 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.726 -11.357 4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.317 -12.626 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.713 -11.009 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.213 -11.739 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.299 -10.413 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.916 -11.980 4.081 1.00 0.00 H new ATOM 889 N LYS A 60 -7.615 -7.551 7.410 1.00 0.00 N ATOM 890 CA LYS A 60 -7.723 -6.155 7.800 1.00 0.00 C ATOM 891 C LYS A 60 -7.370 -5.267 6.606 1.00 0.00 C ATOM 892 O LYS A 60 -6.647 -5.691 5.705 1.00 0.00 O ATOM 893 CB LYS A 60 -6.876 -5.879 9.044 1.00 0.00 C ATOM 894 CG LYS A 60 -7.191 -6.883 10.156 1.00 0.00 C ATOM 895 CD LYS A 60 -7.128 -6.215 11.531 1.00 0.00 C ATOM 896 CE LYS A 60 -6.238 -7.012 12.486 1.00 0.00 C ATOM 897 NZ LYS A 60 -5.475 -6.098 13.366 1.00 0.00 N ATOM 0 H LYS A 60 -6.662 -7.914 7.383 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.749 -5.917 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.818 -5.935 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.065 -4.866 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.183 -7.306 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.482 -7.710 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.742 -5.201 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.132 -6.134 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.850 -7.681 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.550 -7.636 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.876 -6.655 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.876 -5.476 12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.136 -5.520 13.923 1.00 0.00 H new ATOM 910 N GLY A 61 -7.895 -4.051 6.637 1.00 0.00 N ATOM 911 CA GLY A 61 -7.643 -3.100 5.568 1.00 0.00 C ATOM 912 C GLY A 61 -8.653 -3.272 4.432 1.00 0.00 C ATOM 913 O GLY A 61 -9.329 -4.291 4.308 1.00 0.00 O ATOM 0 H GLY A 61 -8.494 -3.703 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.700 -2.084 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.632 -3.238 5.185 1.00 0.00 H new ATOM 917 N PRO A 62 -8.741 -2.236 3.594 1.00 0.00 N ATOM 918 CA PRO A 62 -9.628 -2.185 2.451 1.00 0.00 C ATOM 919 C PRO A 62 -9.182 -3.205 1.413 1.00 0.00 C ATOM 920 O PRO A 62 -8.040 -3.135 0.964 1.00 0.00 O ATOM 921 CB PRO A 62 -9.492 -0.762 1.914 1.00 0.00 C ATOM 922 CG PRO A 62 -8.134 -0.314 2.368 1.00 0.00 C ATOM 923 CD PRO A 62 -7.962 -1.023 3.710 1.00 0.00 C ATOM 0 HA PRO A 62 -10.662 -2.420 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.574 -0.739 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.275 -0.114 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.358 -0.601 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.083 0.769 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.913 -1.245 3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.317 -0.403 4.533 1.00 0.00 H new ATOM 931 N THR A 63 -10.074 -4.118 1.057 1.00 0.00 N ATOM 932 CA THR A 63 -9.749 -5.138 0.074 1.00 0.00 C ATOM 933 C THR A 63 -10.707 -5.057 -1.116 1.00 0.00 C ATOM 934 O THR A 63 -10.495 -5.714 -2.134 1.00 0.00 O ATOM 935 CB THR A 63 -9.769 -6.496 0.779 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.117 -6.640 1.218 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.953 -6.497 2.073 1.00 0.00 C ATOM 0 H THR A 63 -11.021 -4.173 1.431 1.00 0.00 H new ATOM 0 HA THR A 63 -8.753 -4.985 -0.341 1.00 0.00 H new ATOM 0 HB THR A 63 -9.381 -7.260 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.219 -7.496 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.001 -7.484 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.915 -6.251 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.361 -5.756 2.761 1.00 0.00 H new ATOM 945 N LYS A 64 -11.741 -4.245 -0.948 1.00 0.00 N ATOM 946 CA LYS A 64 -12.732 -4.069 -1.996 1.00 0.00 C ATOM 947 C LYS A 64 -12.348 -2.865 -2.858 1.00 0.00 C ATOM 948 O LYS A 64 -11.621 -1.981 -2.408 1.00 0.00 O ATOM 949 CB LYS A 64 -14.135 -3.973 -1.395 1.00 0.00 C ATOM 950 CG LYS A 64 -14.362 -5.069 -0.352 1.00 0.00 C ATOM 951 CD LYS A 64 -13.817 -4.647 1.014 1.00 0.00 C ATOM 952 CE LYS A 64 -14.829 -4.943 2.123 1.00 0.00 C ATOM 953 NZ LYS A 64 -14.175 -5.648 3.248 1.00 0.00 N ATOM 0 H LYS A 64 -11.914 -3.702 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.751 -4.938 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.271 -2.994 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.880 -4.059 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.427 -5.285 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.874 -5.989 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.885 -5.175 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.584 -3.582 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.271 -4.012 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.642 -5.552 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.876 -5.841 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.774 -6.546 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.415 -5.053 3.635 1.00 0.00 H new ATOM 966 N CYS A 65 -12.855 -2.868 -4.082 1.00 0.00 N ATOM 967 CA CYS A 65 -12.574 -1.787 -5.011 1.00 0.00 C ATOM 968 C CYS A 65 -13.329 -0.542 -4.541 1.00 0.00 C ATOM 969 O CYS A 65 -14.306 -0.646 -3.801 1.00 0.00 O ATOM 970 CB CYS A 65 -12.939 -2.167 -6.448 1.00 0.00 C ATOM 971 SG CYS A 65 -12.896 -3.962 -6.802 1.00 0.00 S ATOM 0 H CYS A 65 -13.459 -3.602 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.504 -1.580 -5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.939 -1.792 -6.665 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.254 -1.660 -7.128 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.223 -4.167 -8.043 1.00 0.00 H new ATOM 976 N GLY A 66 -12.847 0.608 -4.991 1.00 0.00 N ATOM 977 CA GLY A 66 -13.464 1.872 -4.625 1.00 0.00 C ATOM 978 C GLY A 66 -12.876 2.411 -3.320 1.00 0.00 C ATOM 979 O GLY A 66 -12.743 3.622 -3.148 1.00 0.00 O ATOM 0 H GLY A 66 -12.037 0.691 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.314 2.599 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.540 1.737 -4.515 1.00 0.00 H new ATOM 983 N GLU A 67 -12.540 1.486 -2.432 1.00 0.00 N ATOM 984 CA GLU A 67 -11.970 1.854 -1.148 1.00 0.00 C ATOM 985 C GLU A 67 -10.525 2.325 -1.324 1.00 0.00 C ATOM 986 O GLU A 67 -9.983 3.013 -0.460 1.00 0.00 O ATOM 987 CB GLU A 67 -12.050 0.689 -0.159 1.00 0.00 C ATOM 988 CG GLU A 67 -12.578 1.158 1.199 1.00 0.00 C ATOM 989 CD GLU A 67 -12.623 0.001 2.199 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.341 0.200 3.390 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.968 -1.137 1.700 1.00 0.00 O ATOM 0 H GLU A 67 -12.652 0.483 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.553 2.678 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.702 -0.088 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.063 0.244 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.941 1.953 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.576 1.579 1.079 1.00 0.00 H new ATOM 999 N CYS A 68 -9.942 1.936 -2.448 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.570 2.310 -2.748 1.00 0.00 C ATOM 1001 C CYS A 68 -8.585 3.289 -3.924 1.00 0.00 C ATOM 1002 O CYS A 68 -7.944 4.337 -3.872 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.700 1.085 -3.037 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.551 0.790 -1.643 1.00 0.00 S ATOM 0 H CYS A 68 -10.394 1.366 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.124 2.794 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.330 0.209 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.136 1.238 -3.957 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.819 -0.254 -1.898 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.325 2.912 -4.956 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.432 3.744 -6.143 1.00 0.00 C ATOM 1011 C HIS A 69 -10.579 4.741 -5.969 1.00 0.00 C ATOM 1012 O HIS A 69 -11.747 4.354 -5.957 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.581 2.883 -7.399 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.436 1.924 -7.625 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.179 2.339 -8.029 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.372 0.568 -7.499 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.402 1.273 -8.139 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.142 0.175 -7.810 1.00 0.00 N ATOM 0 H HIS A 69 -9.856 2.042 -4.995 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.514 4.317 -6.273 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.509 2.315 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.671 3.537 -8.267 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.899 3.303 -8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.184 -0.077 -7.197 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.364 1.273 -8.437 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.207 6.006 -5.838 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.190 7.062 -5.665 1.00 0.00 C ATOM 1028 C LYS A 70 -10.905 8.187 -6.662 1.00 0.00 C ATOM 1029 O LYS A 70 -9.852 8.820 -6.604 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.227 7.526 -4.207 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.868 6.465 -3.310 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.962 7.078 -2.433 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.400 7.507 -1.076 1.00 0.00 C ATOM 1034 NZ LYS A 70 -13.376 8.354 -0.355 1.00 0.00 N ATOM 0 H LYS A 70 -9.238 6.323 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.191 6.690 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.214 7.735 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.788 8.458 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.292 5.671 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.105 6.007 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.399 7.939 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.764 6.354 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.163 6.626 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.469 8.056 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.979 8.636 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.582 9.203 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.254 7.818 -0.202 1.00 0.00 H new ATOM 1047 N LYS A 71 -11.862 8.402 -7.553 1.00 0.00 N ATOM 1048 CA LYS A 71 -11.726 9.439 -8.561 1.00 0.00 C ATOM 1049 C LYS A 71 -11.323 10.751 -7.885 1.00 0.00 C ATOM 1050 O LYS A 71 -11.286 10.836 -6.658 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.005 9.546 -9.395 1.00 0.00 C ATOM 1052 CG LYS A 71 -12.835 10.556 -10.532 1.00 0.00 C ATOM 1053 CD LYS A 71 -14.170 11.217 -10.882 1.00 0.00 C ATOM 1054 CE LYS A 71 -13.957 12.447 -11.766 1.00 0.00 C ATOM 1055 NZ LYS A 71 -15.172 13.292 -11.779 1.00 0.00 N ATOM 0 H LYS A 71 -12.735 7.876 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.933 9.185 -9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.258 8.569 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.835 9.848 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.113 11.319 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.432 10.054 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.810 10.501 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.687 11.507 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.109 13.024 -11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.713 12.135 -12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.011 14.123 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.973 12.743 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.387 13.605 -10.811 1.00 0.00 H new