USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 hydrogens (31 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 16 HIS : no HE2:sc= -6.77! C(o=-8.1!,f=-16!) USER MOD Set 1.2: A 27 TYR OH : rot 160:sc= -1.32 USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0.278 (180deg=0.229) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.18! C(o=-6.2!,f=-6.1!) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.627 (180deg=-0.815) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 136:sc= -4.55! USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0.0582 (180deg=-0.76) USER MOD Single : A 22 MET CE :methyl -119:sc= -0.659 (180deg=-0.83) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.405 K(o=-0.4,f=-1.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.3) USER MOD Single : A 52 SER OG : rot 73:sc= -0.334 USER MOD Single : A 53 GLN : amide:sc= -3.5! C(o=-3.5!,f=-6.9!) USER MOD Single : A 61 MET CE :methyl -173:sc= -12.3! (180deg=-13.1!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.936 F(o=-2.4!,f=-0.94) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0808 X(o=-0.081,f=0) USER MOD Single : A 73 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 96:sc= 0.448 USER MOD Single : A 81 GLN : amide:sc= -3.47! C(o=-3.5!,f=-6.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -17.5! (180deg=-24.1!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -13.3! (180deg=-13.3!) USER MOD Single : A 83 HEM CMC :methyl -30:sc= -0.304 (180deg=-2.02) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -7.09! (180deg=-10.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 70.329 17.644 2.057 1.00 0.00 N ATOM 2 CA GLU A 1 69.695 16.730 1.062 1.00 0.00 C ATOM 3 C GLU A 1 68.840 15.683 1.778 1.00 0.00 C ATOM 4 O GLU A 1 69.341 14.849 2.508 1.00 0.00 O ATOM 5 CB GLU A 1 70.864 16.065 0.335 1.00 0.00 C ATOM 6 CG GLU A 1 70.841 16.466 -1.141 1.00 0.00 C ATOM 7 CD GLU A 1 71.199 17.948 -1.275 1.00 0.00 C ATOM 8 OE1 GLU A 1 70.684 18.733 -0.496 1.00 0.00 O ATOM 9 OE2 GLU A 1 71.980 18.270 -2.153 1.00 0.00 O ATOM 0 H1 GLU A 1 70.737 18.464 1.564 1.00 0.00 H new ATOM 0 H2 GLU A 1 69.612 17.969 2.736 1.00 0.00 H new ATOM 0 H3 GLU A 1 71.081 17.136 2.565 1.00 0.00 H new ATOM 0 HA GLU A 1 69.036 17.260 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 1 71.808 16.366 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 1 70.796 14.981 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 1 71.549 15.858 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 1 69.854 16.280 -1.564 1.00 0.00 H new ATOM 18 N ASP A 2 67.552 15.720 1.578 1.00 0.00 N ATOM 19 CA ASP A 2 66.663 14.731 2.248 1.00 0.00 C ATOM 20 C ASP A 2 66.629 13.423 1.447 1.00 0.00 C ATOM 21 O ASP A 2 66.848 13.428 0.251 1.00 0.00 O ATOM 22 CB ASP A 2 65.283 15.389 2.263 1.00 0.00 C ATOM 23 CG ASP A 2 65.141 16.244 3.524 1.00 0.00 C ATOM 24 OD1 ASP A 2 66.084 16.944 3.850 1.00 0.00 O ATOM 25 OD2 ASP A 2 64.091 16.182 4.140 1.00 0.00 O ATOM 0 H ASP A 2 67.076 16.394 0.978 1.00 0.00 H new ATOM 0 HA ASP A 2 67.005 14.479 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 2 65.153 16.007 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.504 14.627 2.238 1.00 0.00 H new ATOM 30 N PRO A 3 66.356 12.339 2.131 1.00 0.00 N ATOM 31 CA PRO A 3 66.299 11.017 1.465 1.00 0.00 C ATOM 32 C PRO A 3 65.204 10.998 0.401 1.00 0.00 C ATOM 33 O PRO A 3 65.172 10.131 -0.444 1.00 0.00 O ATOM 34 CB PRO A 3 65.970 10.070 2.620 1.00 0.00 C ATOM 35 CG PRO A 3 65.854 10.893 3.918 1.00 0.00 C ATOM 36 CD PRO A 3 66.093 12.373 3.589 1.00 0.00 C ATOM 0 HA PRO A 3 67.218 10.749 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.036 9.543 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.748 9.313 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 3 64.868 10.760 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.583 10.547 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.226 12.988 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.938 12.781 4.144 1.00 0.00 H new ATOM 44 N GLU A 4 64.317 11.953 0.423 1.00 0.00 N ATOM 45 CA GLU A 4 63.243 11.983 -0.607 1.00 0.00 C ATOM 46 C GLU A 4 63.844 12.402 -1.947 1.00 0.00 C ATOM 47 O GLU A 4 63.499 11.877 -2.988 1.00 0.00 O ATOM 48 CB GLU A 4 62.242 13.030 -0.119 1.00 0.00 C ATOM 49 CG GLU A 4 60.826 12.604 -0.512 1.00 0.00 C ATOM 50 CD GLU A 4 59.860 12.947 0.623 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.950 12.316 1.663 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.045 13.836 0.434 1.00 0.00 O ATOM 0 H GLU A 4 64.289 12.710 1.106 1.00 0.00 H new ATOM 0 HA GLU A 4 62.767 11.012 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.313 13.140 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.475 14.002 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.523 13.111 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.800 11.534 -0.716 1.00 0.00 H new ATOM 59 N VAL A 5 64.751 13.338 -1.921 1.00 0.00 N ATOM 60 CA VAL A 5 65.390 13.791 -3.186 1.00 0.00 C ATOM 61 C VAL A 5 66.211 12.653 -3.789 1.00 0.00 C ATOM 62 O VAL A 5 66.026 12.276 -4.928 1.00 0.00 O ATOM 63 CB VAL A 5 66.298 14.949 -2.776 1.00 0.00 C ATOM 64 CG1 VAL A 5 67.075 15.446 -3.996 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.446 16.090 -2.217 1.00 0.00 C ATOM 0 H VAL A 5 65.077 13.809 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 5 64.661 14.094 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 5 66.998 14.609 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.723 16.272 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.682 14.634 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.375 15.787 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 5 66.093 16.917 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.746 16.429 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.891 15.738 -1.347 1.00 0.00 H new ATOM 75 N LEU A 6 67.118 12.103 -3.033 1.00 0.00 N ATOM 76 CA LEU A 6 67.953 10.988 -3.568 1.00 0.00 C ATOM 77 C LEU A 6 67.097 9.736 -3.780 1.00 0.00 C ATOM 78 O LEU A 6 67.419 8.881 -4.583 1.00 0.00 O ATOM 79 CB LEU A 6 69.030 10.741 -2.509 1.00 0.00 C ATOM 80 CG LEU A 6 68.388 10.478 -1.147 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.350 8.972 -0.884 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.225 11.164 -0.065 1.00 0.00 C ATOM 0 H LEU A 6 67.319 12.375 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 6 68.393 11.234 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.645 9.889 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.692 11.605 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 6 67.371 10.871 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.892 8.784 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.765 8.481 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.365 8.576 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.776 10.983 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.238 10.762 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.258 12.237 -0.256 1.00 0.00 H new ATOM 94 N ALA A 7 66.006 9.623 -3.072 1.00 0.00 N ATOM 95 CA ALA A 7 65.132 8.426 -3.237 1.00 0.00 C ATOM 96 C ALA A 7 64.432 8.459 -4.597 1.00 0.00 C ATOM 97 O ALA A 7 64.187 7.436 -5.199 1.00 0.00 O ATOM 98 CB ALA A 7 64.106 8.522 -2.109 1.00 0.00 C ATOM 0 H ALA A 7 65.682 10.306 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 7 65.701 7.497 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.425 7.673 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.620 8.513 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.540 9.448 -2.210 1.00 0.00 H new ATOM 104 N LYS A 8 64.104 9.621 -5.085 1.00 0.00 N ATOM 105 CA LYS A 8 63.420 9.704 -6.407 1.00 0.00 C ATOM 106 C LYS A 8 64.453 9.683 -7.538 1.00 0.00 C ATOM 107 O LYS A 8 64.236 9.094 -8.578 1.00 0.00 O ATOM 108 CB LYS A 8 62.670 11.036 -6.386 1.00 0.00 C ATOM 109 CG LYS A 8 61.296 10.855 -7.033 1.00 0.00 C ATOM 110 CD LYS A 8 60.666 12.225 -7.289 1.00 0.00 C ATOM 111 CE LYS A 8 60.054 12.759 -5.992 1.00 0.00 C ATOM 112 NZ LYS A 8 58.594 12.842 -6.266 1.00 0.00 N ATOM 0 H LYS A 8 64.279 10.516 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 8 62.747 8.864 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.558 11.387 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.240 11.795 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.393 10.307 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.652 10.263 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.420 12.919 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 8 59.899 12.146 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.262 12.094 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.464 13.735 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.102 13.201 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 58.427 13.487 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.231 11.897 -6.502 1.00 0.00 H new ATOM 126 N ASN A 9 65.573 10.321 -7.341 1.00 0.00 N ATOM 127 CA ASN A 9 66.617 10.338 -8.406 1.00 0.00 C ATOM 128 C ASN A 9 67.095 8.914 -8.712 1.00 0.00 C ATOM 129 O ASN A 9 67.394 8.583 -9.842 1.00 0.00 O ATOM 130 CB ASN A 9 67.761 11.177 -7.832 1.00 0.00 C ATOM 131 CG ASN A 9 67.198 12.450 -7.198 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.856 13.085 -6.398 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.999 12.855 -7.521 1.00 0.00 N ATOM 0 H ASN A 9 65.811 10.831 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 9 66.239 10.750 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.310 10.600 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.468 11.434 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.617 13.703 -7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.445 12.324 -8.192 1.00 0.00 H new ATOM 140 N LYS A 10 67.171 8.068 -7.720 1.00 0.00 N ATOM 141 CA LYS A 10 67.633 6.672 -7.976 1.00 0.00 C ATOM 142 C LYS A 10 66.463 5.791 -8.423 1.00 0.00 C ATOM 143 O LYS A 10 66.648 4.677 -8.870 1.00 0.00 O ATOM 144 CB LYS A 10 68.206 6.184 -6.647 1.00 0.00 C ATOM 145 CG LYS A 10 69.706 6.484 -6.609 1.00 0.00 C ATOM 146 CD LYS A 10 70.005 7.490 -5.497 1.00 0.00 C ATOM 147 CE LYS A 10 71.502 7.807 -5.486 1.00 0.00 C ATOM 148 NZ LYS A 10 71.583 9.283 -5.304 1.00 0.00 N ATOM 0 H LYS A 10 66.935 8.280 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 10 68.375 6.629 -8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.702 6.678 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.033 5.114 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 10 70.266 5.564 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 10 70.031 6.883 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 10 69.430 8.403 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.701 7.083 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 10 72.011 7.281 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.978 7.498 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 72.576 9.562 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.202 9.758 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.028 9.561 -4.470 1.00 0.00 H new ATOM 162 N GLY A 11 65.260 6.284 -8.315 1.00 0.00 N ATOM 163 CA GLY A 11 64.086 5.474 -8.744 1.00 0.00 C ATOM 164 C GLY A 11 63.519 4.699 -7.553 1.00 0.00 C ATOM 165 O GLY A 11 62.698 3.819 -7.711 1.00 0.00 O ATOM 0 H GLY A 11 65.040 7.210 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.319 6.125 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.381 4.781 -9.532 1.00 0.00 H new ATOM 169 N CYS A 12 63.951 5.012 -6.362 1.00 0.00 N ATOM 170 CA CYS A 12 63.426 4.282 -5.170 1.00 0.00 C ATOM 171 C CYS A 12 61.915 4.509 -5.026 1.00 0.00 C ATOM 172 O CYS A 12 61.183 3.632 -4.610 1.00 0.00 O ATOM 173 CB CYS A 12 64.156 4.875 -3.961 1.00 0.00 C ATOM 174 SG CYS A 12 65.942 4.965 -4.267 1.00 0.00 S ATOM 0 H CYS A 12 64.640 5.737 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 12 63.590 3.208 -5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.768 5.871 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.964 4.264 -3.079 1.00 0.00 H new ATOM 179 N MET A 13 61.447 5.683 -5.356 1.00 0.00 N ATOM 180 CA MET A 13 59.988 5.975 -5.228 1.00 0.00 C ATOM 181 C MET A 13 59.238 5.516 -6.482 1.00 0.00 C ATOM 182 O MET A 13 58.080 5.832 -6.673 1.00 0.00 O ATOM 183 CB MET A 13 59.903 7.496 -5.084 1.00 0.00 C ATOM 184 CG MET A 13 60.021 7.880 -3.607 1.00 0.00 C ATOM 185 SD MET A 13 58.972 9.317 -3.273 1.00 0.00 S ATOM 186 CE MET A 13 57.659 8.439 -2.389 1.00 0.00 C ATOM 0 H MET A 13 62.013 6.455 -5.710 1.00 0.00 H new ATOM 0 HA MET A 13 59.538 5.455 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.699 7.971 -5.658 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.958 7.857 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 13 59.721 7.043 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.058 8.108 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.889 9.148 -2.084 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.220 7.686 -3.044 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.076 7.954 -1.507 1.00 0.00 H new ATOM 196 N ALA A 14 59.888 4.779 -7.338 1.00 0.00 N ATOM 197 CA ALA A 14 59.213 4.305 -8.578 1.00 0.00 C ATOM 198 C ALA A 14 58.538 2.955 -8.335 1.00 0.00 C ATOM 199 O ALA A 14 57.457 2.693 -8.821 1.00 0.00 O ATOM 200 CB ALA A 14 60.331 4.166 -9.611 1.00 0.00 C ATOM 0 H ALA A 14 60.859 4.484 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 14 58.434 4.992 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.912 3.819 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.811 5.133 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.068 3.446 -9.255 1.00 0.00 H new ATOM 206 N CYS A 15 59.175 2.095 -7.593 1.00 0.00 N ATOM 207 CA CYS A 15 58.583 0.757 -7.320 1.00 0.00 C ATOM 208 C CYS A 15 58.056 0.681 -5.886 1.00 0.00 C ATOM 209 O CYS A 15 57.244 -0.162 -5.559 1.00 0.00 O ATOM 210 CB CYS A 15 59.747 -0.220 -7.471 1.00 0.00 C ATOM 211 SG CYS A 15 60.281 -0.324 -9.199 1.00 0.00 S ATOM 0 H CYS A 15 60.084 2.262 -7.162 1.00 0.00 H new ATOM 0 HA CYS A 15 57.750 0.543 -7.989 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.581 0.102 -6.847 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.447 -1.207 -7.118 1.00 0.00 H new ATOM 216 N HIS A 16 58.541 1.522 -5.013 1.00 0.00 N ATOM 217 CA HIS A 16 58.092 1.445 -3.594 1.00 0.00 C ATOM 218 C HIS A 16 56.941 2.404 -3.286 1.00 0.00 C ATOM 219 O HIS A 16 56.626 3.300 -4.044 1.00 0.00 O ATOM 220 CB HIS A 16 59.319 1.833 -2.772 1.00 0.00 C ATOM 221 CG HIS A 16 60.117 0.601 -2.444 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.558 -0.491 -1.800 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.436 0.277 -2.658 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.526 -1.411 -1.648 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.691 -0.995 -2.155 1.00 0.00 N ATOM 0 H HIS A 16 59.222 2.253 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 16 57.715 0.448 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.934 2.539 -3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.011 2.334 -1.854 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.588 -0.580 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.163 0.912 -3.142 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.380 -2.370 -1.174 1.00 0.00 H new ATOM 233 N ALA A 17 56.332 2.211 -2.149 1.00 0.00 N ATOM 234 CA ALA A 17 55.211 3.084 -1.710 1.00 0.00 C ATOM 235 C ALA A 17 55.286 3.237 -0.189 1.00 0.00 C ATOM 236 O ALA A 17 55.236 2.268 0.541 1.00 0.00 O ATOM 237 CB ALA A 17 53.938 2.345 -2.125 1.00 0.00 C ATOM 0 H ALA A 17 56.571 1.468 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 17 55.241 4.081 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.066 2.930 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.935 2.204 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.904 1.373 -1.632 1.00 0.00 H new ATOM 243 N ILE A 18 55.429 4.439 0.293 1.00 0.00 N ATOM 244 CA ILE A 18 55.541 4.655 1.768 1.00 0.00 C ATOM 245 C ILE A 18 54.579 3.742 2.535 1.00 0.00 C ATOM 246 O ILE A 18 54.803 3.425 3.684 1.00 0.00 O ATOM 247 CB ILE A 18 55.174 6.124 1.982 1.00 0.00 C ATOM 248 CG1 ILE A 18 56.235 7.017 1.329 1.00 0.00 C ATOM 249 CG2 ILE A 18 55.115 6.423 3.481 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.557 8.218 0.665 1.00 0.00 C ATOM 0 H ILE A 18 55.474 5.287 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 18 56.540 4.422 2.135 1.00 0.00 H new ATOM 0 HB ILE A 18 54.202 6.323 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.949 7.358 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.797 6.449 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.853 7.470 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.362 5.789 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 18 56.088 6.223 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.313 8.852 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.860 7.867 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 18 55.014 8.791 1.417 1.00 0.00 H new ATOM 262 N ASP A 19 53.509 3.318 1.922 1.00 0.00 N ATOM 263 CA ASP A 19 52.557 2.426 2.652 1.00 0.00 C ATOM 264 C ASP A 19 51.890 1.437 1.695 1.00 0.00 C ATOM 265 O ASP A 19 51.685 0.285 2.023 1.00 0.00 O ATOM 266 CB ASP A 19 51.517 3.368 3.260 1.00 0.00 C ATOM 267 CG ASP A 19 50.587 3.883 2.160 1.00 0.00 C ATOM 268 OD1 ASP A 19 49.691 3.149 1.776 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.786 5.005 1.721 1.00 0.00 O ATOM 0 H ASP A 19 53.252 3.545 0.961 1.00 0.00 H new ATOM 0 HA ASP A 19 53.064 1.828 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.940 2.845 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 19 52.013 4.205 3.752 1.00 0.00 H new ATOM 274 N THR A 20 51.541 1.873 0.520 1.00 0.00 N ATOM 275 CA THR A 20 50.878 0.949 -0.447 1.00 0.00 C ATOM 276 C THR A 20 51.876 -0.090 -0.963 1.00 0.00 C ATOM 277 O THR A 20 53.069 0.138 -0.992 1.00 0.00 O ATOM 278 CB THR A 20 50.387 1.841 -1.589 1.00 0.00 C ATOM 279 OG1 THR A 20 51.292 2.922 -1.771 1.00 0.00 O ATOM 280 CG2 THR A 20 48.998 2.384 -1.251 1.00 0.00 C ATOM 0 H THR A 20 51.684 2.826 0.185 1.00 0.00 H new ATOM 0 HA THR A 20 50.059 0.397 0.013 1.00 0.00 H new ATOM 0 HB THR A 20 50.333 1.258 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.461 3.050 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.648 3.020 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.306 1.553 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.049 2.967 -0.331 1.00 0.00 H new ATOM 288 N LYS A 21 51.393 -1.231 -1.370 1.00 0.00 N ATOM 289 CA LYS A 21 52.304 -2.287 -1.884 1.00 0.00 C ATOM 290 C LYS A 21 52.327 -2.258 -3.414 1.00 0.00 C ATOM 291 O LYS A 21 51.458 -2.799 -4.069 1.00 0.00 O ATOM 292 CB LYS A 21 51.706 -3.600 -1.379 1.00 0.00 C ATOM 293 CG LYS A 21 51.935 -3.719 0.129 1.00 0.00 C ATOM 294 CD LYS A 21 51.905 -5.194 0.536 1.00 0.00 C ATOM 295 CE LYS A 21 50.662 -5.464 1.389 1.00 0.00 C ATOM 296 NZ LYS A 21 50.991 -4.915 2.734 1.00 0.00 N ATOM 0 H LYS A 21 50.403 -1.477 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 21 53.332 -2.152 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.639 -3.634 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 21 52.165 -4.443 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.894 -3.276 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 21 51.166 -3.166 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.894 -5.827 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 52.805 -5.446 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 49.782 -4.978 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 21 50.443 -6.530 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.675 -5.581 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 52.019 -4.777 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.509 -4.003 2.864 1.00 0.00 H new ATOM 310 N MET A 22 53.311 -1.622 -3.987 1.00 0.00 N ATOM 311 CA MET A 22 53.390 -1.547 -5.474 1.00 0.00 C ATOM 312 C MET A 22 54.337 -2.631 -6.013 1.00 0.00 C ATOM 313 O MET A 22 54.133 -3.807 -5.784 1.00 0.00 O ATOM 314 CB MET A 22 53.928 -0.144 -5.757 1.00 0.00 C ATOM 315 CG MET A 22 52.858 0.890 -5.403 1.00 0.00 C ATOM 316 SD MET A 22 52.908 2.243 -6.604 1.00 0.00 S ATOM 317 CE MET A 22 54.534 2.891 -6.146 1.00 0.00 C ATOM 0 H MET A 22 54.066 -1.150 -3.489 1.00 0.00 H new ATOM 0 HA MET A 22 52.429 -1.717 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.831 0.036 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.204 -0.053 -6.808 1.00 0.00 H new ATOM 0 HG2 MET A 22 51.872 0.424 -5.404 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.027 1.275 -4.398 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.432 3.921 -5.803 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.956 2.282 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.195 2.861 -7.012 1.00 0.00 H new ATOM 327 N VAL A 23 55.370 -2.257 -6.722 1.00 0.00 N ATOM 328 CA VAL A 23 56.308 -3.284 -7.257 1.00 0.00 C ATOM 329 C VAL A 23 57.112 -3.900 -6.110 1.00 0.00 C ATOM 330 O VAL A 23 57.460 -5.063 -6.135 1.00 0.00 O ATOM 331 CB VAL A 23 57.223 -2.521 -8.214 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.238 -3.486 -8.824 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.383 -1.892 -9.328 1.00 0.00 C ATOM 0 H VAL A 23 55.603 -1.291 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 23 55.793 -4.103 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 23 57.749 -1.737 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 23 58.891 -2.943 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.835 -3.935 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.713 -4.269 -9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.034 -1.347 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 23 55.858 -2.676 -9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.658 -1.205 -8.893 1.00 0.00 H new ATOM 343 N GLY A 24 57.394 -3.127 -5.101 1.00 0.00 N ATOM 344 CA GLY A 24 58.161 -3.658 -3.939 1.00 0.00 C ATOM 345 C GLY A 24 57.315 -3.497 -2.672 1.00 0.00 C ATOM 346 O GLY A 24 56.258 -2.898 -2.711 1.00 0.00 O ATOM 0 H GLY A 24 57.126 -2.146 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.407 -4.708 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.104 -3.122 -3.833 1.00 0.00 H new ATOM 350 N PRO A 25 57.798 -4.043 -1.587 1.00 0.00 N ATOM 351 CA PRO A 25 57.065 -3.958 -0.302 1.00 0.00 C ATOM 352 C PRO A 25 57.012 -2.510 0.190 1.00 0.00 C ATOM 353 O PRO A 25 58.012 -1.820 0.225 1.00 0.00 O ATOM 354 CB PRO A 25 57.918 -4.825 0.627 1.00 0.00 C ATOM 355 CG PRO A 25 59.116 -5.374 -0.172 1.00 0.00 C ATOM 356 CD PRO A 25 59.087 -4.768 -1.580 1.00 0.00 C ATOM 0 HA PRO A 25 56.028 -4.287 -0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 25 58.267 -4.238 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 25 57.324 -5.646 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 60.051 -5.122 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 25 59.067 -6.461 -0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.930 -4.099 -1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 25 59.126 -5.535 -2.353 1.00 0.00 H new ATOM 364 N ALA A 26 55.855 -2.043 0.573 1.00 0.00 N ATOM 365 CA ALA A 26 55.750 -0.640 1.064 1.00 0.00 C ATOM 366 C ALA A 26 56.867 -0.356 2.069 1.00 0.00 C ATOM 367 O ALA A 26 57.361 -1.249 2.729 1.00 0.00 O ATOM 368 CB ALA A 26 54.384 -0.554 1.743 1.00 0.00 C ATOM 0 H ALA A 26 54.982 -2.570 0.567 1.00 0.00 H new ATOM 0 HA ALA A 26 55.847 0.089 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.234 0.453 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.603 -0.784 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.340 -1.270 2.564 1.00 0.00 H new ATOM 374 N TYR A 27 57.271 0.878 2.192 1.00 0.00 N ATOM 375 CA TYR A 27 58.357 1.215 3.153 1.00 0.00 C ATOM 376 C TYR A 27 57.876 0.989 4.591 1.00 0.00 C ATOM 377 O TYR A 27 58.521 0.314 5.374 1.00 0.00 O ATOM 378 CB TYR A 27 58.653 2.695 2.897 1.00 0.00 C ATOM 379 CG TYR A 27 59.425 2.854 1.605 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.375 1.896 1.219 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.192 3.969 0.792 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.087 2.059 0.024 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.903 4.129 -0.402 1.00 0.00 C ATOM 384 CZ TYR A 27 60.852 3.175 -0.786 1.00 0.00 C ATOM 385 OH TYR A 27 61.553 3.333 -1.963 1.00 0.00 O ATOM 0 H TYR A 27 56.895 1.668 1.668 1.00 0.00 H new ATOM 0 HA TYR A 27 59.244 0.596 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.720 3.257 2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.227 3.108 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.557 1.034 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.462 4.708 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 27 61.819 1.322 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.719 4.990 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 27 61.071 3.953 -2.550 1.00 0.00 H new ATOM 395 N LYS A 28 56.747 1.535 4.943 1.00 0.00 N ATOM 396 CA LYS A 28 56.230 1.335 6.326 1.00 0.00 C ATOM 397 C LYS A 28 56.161 -0.158 6.634 1.00 0.00 C ATOM 398 O LYS A 28 56.646 -0.620 7.649 1.00 0.00 O ATOM 399 CB LYS A 28 54.830 1.949 6.325 1.00 0.00 C ATOM 400 CG LYS A 28 54.897 3.382 6.852 1.00 0.00 C ATOM 401 CD LYS A 28 53.483 3.876 7.159 1.00 0.00 C ATOM 402 CE LYS A 28 53.176 5.115 6.310 1.00 0.00 C ATOM 403 NZ LYS A 28 51.688 5.234 6.310 1.00 0.00 N ATOM 0 H LYS A 28 56.161 2.109 4.337 1.00 0.00 H new ATOM 0 HA LYS A 28 56.868 1.795 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.419 1.941 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.161 1.354 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.512 3.422 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.369 4.031 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 52.758 3.090 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.393 4.117 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.642 6.006 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.562 5.003 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.406 6.062 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.271 4.376 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 51.349 5.348 7.287 1.00 0.00 H new ATOM 417 N ASP A 29 55.568 -0.915 5.756 1.00 0.00 N ATOM 418 CA ASP A 29 55.472 -2.385 5.981 1.00 0.00 C ATOM 419 C ASP A 29 56.864 -2.966 6.247 1.00 0.00 C ATOM 420 O ASP A 29 57.051 -3.780 7.131 1.00 0.00 O ATOM 421 CB ASP A 29 54.900 -2.948 4.680 1.00 0.00 C ATOM 422 CG ASP A 29 53.372 -2.959 4.754 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.809 -1.943 5.129 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.790 -3.982 4.434 1.00 0.00 O ATOM 0 H ASP A 29 55.145 -0.580 4.891 1.00 0.00 H new ATOM 0 HA ASP A 29 54.850 -2.633 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.229 -2.344 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.273 -3.958 4.514 1.00 0.00 H new ATOM 429 N VAL A 30 57.843 -2.551 5.489 1.00 0.00 N ATOM 430 CA VAL A 30 59.224 -3.076 5.700 1.00 0.00 C ATOM 431 C VAL A 30 59.643 -2.881 7.155 1.00 0.00 C ATOM 432 O VAL A 30 60.282 -3.728 7.750 1.00 0.00 O ATOM 433 CB VAL A 30 60.113 -2.245 4.777 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.581 -2.603 5.022 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.752 -2.543 3.321 1.00 0.00 C ATOM 0 H VAL A 30 57.747 -1.872 4.734 1.00 0.00 H new ATOM 0 HA VAL A 30 59.296 -4.142 5.484 1.00 0.00 H new ATOM 0 HB VAL A 30 59.960 -1.185 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.215 -2.010 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.839 -2.392 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.736 -3.662 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.385 -1.951 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.906 -3.603 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.707 -2.288 3.146 1.00 0.00 H new ATOM 445 N ALA A 31 59.294 -1.767 7.732 1.00 0.00 N ATOM 446 CA ALA A 31 59.678 -1.509 9.150 1.00 0.00 C ATOM 447 C ALA A 31 58.843 -2.374 10.097 1.00 0.00 C ATOM 448 O ALA A 31 59.279 -2.726 11.176 1.00 0.00 O ATOM 449 CB ALA A 31 59.384 -0.025 9.378 1.00 0.00 C ATOM 0 H ALA A 31 58.759 -1.022 7.285 1.00 0.00 H new ATOM 0 HA ALA A 31 60.723 -1.752 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.641 0.244 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 31 59.977 0.574 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.325 0.166 9.208 1.00 0.00 H new ATOM 455 N ALA A 32 57.649 -2.719 9.708 1.00 0.00 N ATOM 456 CA ALA A 32 56.793 -3.559 10.594 1.00 0.00 C ATOM 457 C ALA A 32 57.333 -4.991 10.661 1.00 0.00 C ATOM 458 O ALA A 32 57.138 -5.692 11.634 1.00 0.00 O ATOM 459 CB ALA A 32 55.410 -3.540 9.944 1.00 0.00 C ATOM 0 H ALA A 32 57.228 -2.457 8.817 1.00 0.00 H new ATOM 0 HA ALA A 32 56.770 -3.183 11.617 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.720 -4.138 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.047 -2.514 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.475 -3.955 8.938 1.00 0.00 H new ATOM 465 N LYS A 33 58.006 -5.434 9.634 1.00 0.00 N ATOM 466 CA LYS A 33 58.547 -6.822 9.644 1.00 0.00 C ATOM 467 C LYS A 33 59.962 -6.850 10.235 1.00 0.00 C ATOM 468 O LYS A 33 60.296 -7.718 11.016 1.00 0.00 O ATOM 469 CB LYS A 33 58.565 -7.256 8.178 1.00 0.00 C ATOM 470 CG LYS A 33 59.295 -8.595 8.052 1.00 0.00 C ATOM 471 CD LYS A 33 58.436 -9.572 7.246 1.00 0.00 C ATOM 472 CE LYS A 33 59.339 -10.463 6.387 1.00 0.00 C ATOM 473 NZ LYS A 33 58.503 -11.649 6.042 1.00 0.00 N ATOM 0 H LYS A 33 58.204 -4.896 8.790 1.00 0.00 H new ATOM 0 HA LYS A 33 57.942 -7.489 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.546 -7.348 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.062 -6.500 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.258 -8.451 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.499 -9.004 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.837 -10.185 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.741 -9.022 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 33 59.670 -9.940 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 33 60.235 -10.758 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 59.056 -12.304 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 58.208 -12.132 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 57.661 -11.339 5.517 1.00 0.00 H new ATOM 487 N TYR A 34 60.797 -5.912 9.872 1.00 0.00 N ATOM 488 CA TYR A 34 62.185 -5.901 10.422 1.00 0.00 C ATOM 489 C TYR A 34 62.225 -5.116 11.735 1.00 0.00 C ATOM 490 O TYR A 34 63.261 -4.967 12.350 1.00 0.00 O ATOM 491 CB TYR A 34 63.037 -5.209 9.356 1.00 0.00 C ATOM 492 CG TYR A 34 63.404 -6.205 8.281 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.500 -7.059 8.460 1.00 0.00 C ATOM 494 CD2 TYR A 34 62.647 -6.277 7.105 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.839 -7.982 7.463 1.00 0.00 C ATOM 496 CE2 TYR A 34 62.987 -7.201 6.109 1.00 0.00 C ATOM 497 CZ TYR A 34 64.083 -8.053 6.288 1.00 0.00 C ATOM 498 OH TYR A 34 64.416 -8.962 5.306 1.00 0.00 O ATOM 0 H TYR A 34 60.580 -5.157 9.222 1.00 0.00 H new ATOM 0 HA TYR A 34 62.549 -6.905 10.639 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.487 -4.374 8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.939 -4.796 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 34 65.084 -7.005 9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 61.801 -5.620 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 34 65.685 -8.639 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 34 62.403 -7.256 5.202 1.00 0.00 H new ATOM 0 HH TYR A 34 63.788 -8.880 4.558 1.00 0.00 H new ATOM 508 N ALA A 35 61.102 -4.613 12.170 1.00 0.00 N ATOM 509 CA ALA A 35 61.077 -3.840 13.444 1.00 0.00 C ATOM 510 C ALA A 35 61.661 -4.681 14.584 1.00 0.00 C ATOM 511 O ALA A 35 61.188 -5.763 14.874 1.00 0.00 O ATOM 512 CB ALA A 35 59.599 -3.545 13.696 1.00 0.00 C ATOM 0 H ALA A 35 60.202 -4.704 11.699 1.00 0.00 H new ATOM 0 HA ALA A 35 61.671 -2.928 13.388 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.494 -2.976 14.620 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.197 -2.965 12.865 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.050 -4.483 13.783 1.00 0.00 H new ATOM 518 N GLY A 36 62.683 -4.194 15.232 1.00 0.00 N ATOM 519 CA GLY A 36 63.292 -4.966 16.352 1.00 0.00 C ATOM 520 C GLY A 36 64.646 -5.526 15.912 1.00 0.00 C ATOM 521 O GLY A 36 65.214 -6.384 16.560 1.00 0.00 O ATOM 0 H GLY A 36 63.123 -3.295 15.035 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.419 -4.324 17.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.630 -5.779 16.649 1.00 0.00 H new ATOM 525 N GLN A 37 65.170 -5.050 14.816 1.00 0.00 N ATOM 526 CA GLN A 37 66.489 -5.558 14.340 1.00 0.00 C ATOM 527 C GLN A 37 67.622 -4.699 14.906 1.00 0.00 C ATOM 528 O GLN A 37 67.510 -3.492 15.008 1.00 0.00 O ATOM 529 CB GLN A 37 66.436 -5.441 12.815 1.00 0.00 C ATOM 530 CG GLN A 37 66.052 -6.795 12.213 1.00 0.00 C ATOM 531 CD GLN A 37 67.189 -7.296 11.320 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.116 -7.199 10.111 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.244 -7.833 11.868 1.00 0.00 N ATOM 0 H GLN A 37 64.743 -4.333 14.230 1.00 0.00 H new ATOM 0 HA GLN A 37 66.676 -6.582 14.662 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.710 -4.682 12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.404 -5.121 12.430 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.854 -7.515 13.007 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.134 -6.700 11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.306 -7.915 12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.007 -8.171 11.282 1.00 0.00 H new ATOM 542 N ALA A 38 68.714 -5.309 15.279 1.00 0.00 N ATOM 543 CA ALA A 38 69.852 -4.530 15.841 1.00 0.00 C ATOM 544 C ALA A 38 70.752 -4.013 14.714 1.00 0.00 C ATOM 545 O ALA A 38 71.950 -4.221 14.719 1.00 0.00 O ATOM 546 CB ALA A 38 70.615 -5.519 16.723 1.00 0.00 C ATOM 0 H ALA A 38 68.867 -6.316 15.218 1.00 0.00 H new ATOM 0 HA ALA A 38 69.515 -3.659 16.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.471 -5.018 17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.956 -5.890 17.508 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.962 -6.355 16.116 1.00 0.00 H new ATOM 552 N GLY A 39 70.188 -3.340 13.749 1.00 0.00 N ATOM 553 CA GLY A 39 71.016 -2.811 12.628 1.00 0.00 C ATOM 554 C GLY A 39 70.474 -3.332 11.295 1.00 0.00 C ATOM 555 O GLY A 39 71.214 -3.814 10.459 1.00 0.00 O ATOM 0 H GLY A 39 69.191 -3.134 13.688 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.002 -1.721 12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.054 -3.118 12.754 1.00 0.00 H new ATOM 559 N ALA A 40 69.190 -3.239 11.086 1.00 0.00 N ATOM 560 CA ALA A 40 68.605 -3.730 9.804 1.00 0.00 C ATOM 561 C ALA A 40 68.945 -2.764 8.667 1.00 0.00 C ATOM 562 O ALA A 40 68.945 -3.130 7.509 1.00 0.00 O ATOM 563 CB ALA A 40 67.095 -3.770 10.046 1.00 0.00 C ATOM 0 H ALA A 40 68.520 -2.845 11.746 1.00 0.00 H new ATOM 0 HA ALA A 40 68.995 -4.707 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.591 -4.122 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.877 -4.447 10.872 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.739 -2.770 10.293 1.00 0.00 H new ATOM 569 N GLU A 41 69.241 -1.534 8.987 1.00 0.00 N ATOM 570 CA GLU A 41 69.589 -0.554 7.920 1.00 0.00 C ATOM 571 C GLU A 41 70.966 -0.888 7.342 1.00 0.00 C ATOM 572 O GLU A 41 71.248 -0.629 6.189 1.00 0.00 O ATOM 573 CB GLU A 41 69.609 0.807 8.615 1.00 0.00 C ATOM 574 CG GLU A 41 70.541 0.752 9.827 1.00 0.00 C ATOM 575 CD GLU A 41 71.041 2.161 10.148 1.00 0.00 C ATOM 576 OE1 GLU A 41 72.006 2.581 9.529 1.00 0.00 O ATOM 577 OE2 GLU A 41 70.452 2.797 11.007 1.00 0.00 O ATOM 0 H GLU A 41 69.257 -1.166 9.938 1.00 0.00 H new ATOM 0 HA GLU A 41 68.880 -0.569 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.945 1.576 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.602 1.080 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.014 0.337 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.385 0.093 9.621 1.00 0.00 H new ATOM 584 N ALA A 42 71.822 -1.472 8.137 1.00 0.00 N ATOM 585 CA ALA A 42 73.179 -1.837 7.637 1.00 0.00 C ATOM 586 C ALA A 42 73.057 -2.908 6.551 1.00 0.00 C ATOM 587 O ALA A 42 73.566 -2.760 5.455 1.00 0.00 O ATOM 588 CB ALA A 42 73.914 -2.388 8.860 1.00 0.00 C ATOM 0 H ALA A 42 71.640 -1.712 9.111 1.00 0.00 H new ATOM 0 HA ALA A 42 73.707 -0.991 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.925 -2.681 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.962 -1.620 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.380 -3.256 9.245 1.00 0.00 H new ATOM 594 N TYR A 43 72.376 -3.985 6.840 1.00 0.00 N ATOM 595 CA TYR A 43 72.217 -5.052 5.815 1.00 0.00 C ATOM 596 C TYR A 43 71.295 -4.545 4.710 1.00 0.00 C ATOM 597 O TYR A 43 71.416 -4.925 3.563 1.00 0.00 O ATOM 598 CB TYR A 43 71.612 -6.241 6.575 1.00 0.00 C ATOM 599 CG TYR A 43 70.817 -7.124 5.639 1.00 0.00 C ATOM 600 CD1 TYR A 43 69.523 -6.751 5.257 1.00 0.00 C ATOM 601 CD2 TYR A 43 71.370 -8.318 5.163 1.00 0.00 C ATOM 602 CE1 TYR A 43 68.782 -7.571 4.398 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.629 -9.141 4.305 1.00 0.00 C ATOM 604 CZ TYR A 43 69.335 -8.767 3.922 1.00 0.00 C ATOM 605 OH TYR A 43 68.604 -9.577 3.075 1.00 0.00 O ATOM 0 H TYR A 43 71.926 -4.170 7.737 1.00 0.00 H new ATOM 0 HA TYR A 43 73.151 -5.340 5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.406 -6.822 7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.968 -5.878 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 43 69.096 -5.830 5.625 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.369 -8.605 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 43 67.784 -7.282 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 43 71.055 -10.063 3.939 1.00 0.00 H new ATOM 0 HH TYR A 43 69.135 -10.366 2.838 1.00 0.00 H new ATOM 615 N LEU A 44 70.401 -3.656 5.040 1.00 0.00 N ATOM 616 CA LEU A 44 69.511 -3.092 3.995 1.00 0.00 C ATOM 617 C LEU A 44 70.366 -2.229 3.073 1.00 0.00 C ATOM 618 O LEU A 44 70.067 -2.044 1.913 1.00 0.00 O ATOM 619 CB LEU A 44 68.487 -2.242 4.747 1.00 0.00 C ATOM 620 CG LEU A 44 67.352 -3.136 5.254 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.439 -2.329 6.179 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.540 -3.655 4.066 1.00 0.00 C ATOM 0 H LEU A 44 70.250 -3.299 5.983 1.00 0.00 H new ATOM 0 HA LEU A 44 69.010 -3.849 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.965 -1.734 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.089 -1.468 4.090 1.00 0.00 H new ATOM 0 HG LEU A 44 67.773 -3.978 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.631 -2.966 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.015 -1.959 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.019 -1.486 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.732 -4.291 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.120 -2.813 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.188 -4.232 3.406 1.00 0.00 H new ATOM 634 N ALA A 45 71.451 -1.716 3.593 1.00 0.00 N ATOM 635 CA ALA A 45 72.353 -0.878 2.760 1.00 0.00 C ATOM 636 C ALA A 45 73.114 -1.769 1.783 1.00 0.00 C ATOM 637 O ALA A 45 73.318 -1.418 0.637 1.00 0.00 O ATOM 638 CB ALA A 45 73.316 -0.214 3.746 1.00 0.00 C ATOM 0 H ALA A 45 71.749 -1.844 4.560 1.00 0.00 H new ATOM 0 HA ALA A 45 71.811 -0.136 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.014 0.422 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.751 0.391 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.871 -0.982 4.286 1.00 0.00 H new ATOM 644 N GLN A 46 73.529 -2.928 2.222 1.00 0.00 N ATOM 645 CA GLN A 46 74.266 -3.833 1.301 1.00 0.00 C ATOM 646 C GLN A 46 73.276 -4.516 0.353 1.00 0.00 C ATOM 647 O GLN A 46 73.629 -4.945 -0.727 1.00 0.00 O ATOM 648 CB GLN A 46 74.959 -4.852 2.214 1.00 0.00 C ATOM 649 CG GLN A 46 75.251 -6.132 1.431 1.00 0.00 C ATOM 650 CD GLN A 46 76.324 -6.948 2.154 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.112 -7.628 1.526 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.388 -6.912 3.457 1.00 0.00 N ATOM 0 H GLN A 46 73.390 -3.282 3.169 1.00 0.00 H new ATOM 0 HA GLN A 46 74.989 -3.308 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 46 75.887 -4.433 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.325 -5.076 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 46 74.340 -6.722 1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.586 -5.885 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 46 75.727 -6.342 3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.099 -7.454 3.948 1.00 0.00 H new ATOM 661 N ARG A 47 72.035 -4.605 0.746 1.00 0.00 N ATOM 662 CA ARG A 47 71.020 -5.243 -0.137 1.00 0.00 C ATOM 663 C ARG A 47 70.391 -4.180 -1.035 1.00 0.00 C ATOM 664 O ARG A 47 69.788 -4.482 -2.044 1.00 0.00 O ATOM 665 CB ARG A 47 69.980 -5.834 0.813 1.00 0.00 C ATOM 666 CG ARG A 47 70.478 -7.179 1.350 1.00 0.00 C ATOM 667 CD ARG A 47 70.891 -8.079 0.184 1.00 0.00 C ATOM 668 NE ARG A 47 70.928 -9.455 0.755 1.00 0.00 N ATOM 669 CZ ARG A 47 71.213 -10.478 -0.007 1.00 0.00 C ATOM 670 NH1 ARG A 47 71.470 -10.300 -1.275 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.243 -11.680 0.501 1.00 0.00 N ATOM 0 H ARG A 47 71.681 -4.264 1.640 1.00 0.00 H new ATOM 0 HA ARG A 47 71.446 -6.008 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.796 -5.147 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.032 -5.968 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.324 -7.023 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.694 -7.661 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.179 -8.012 -0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.864 -7.790 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 47 70.730 -9.599 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.449 -9.361 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 71.692 -11.100 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.044 -11.820 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.465 -12.479 -0.093 1.00 0.00 H new ATOM 685 N ILE A 48 70.537 -2.935 -0.676 1.00 0.00 N ATOM 686 CA ILE A 48 69.963 -1.847 -1.511 1.00 0.00 C ATOM 687 C ILE A 48 70.953 -1.485 -2.620 1.00 0.00 C ATOM 688 O ILE A 48 70.568 -1.090 -3.702 1.00 0.00 O ATOM 689 CB ILE A 48 69.762 -0.671 -0.552 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.488 -0.895 0.264 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.631 0.632 -1.346 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.500 0.022 1.488 1.00 0.00 C ATOM 0 H ILE A 48 71.030 -2.625 0.161 1.00 0.00 H new ATOM 0 HA ILE A 48 69.027 -2.130 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 48 70.621 -0.601 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.610 -0.690 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.422 -1.937 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.488 1.465 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.537 0.795 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.774 0.565 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.592 -0.137 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.371 -0.204 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.546 1.062 1.163 1.00 0.00 H new ATOM 704 N LYS A 49 72.227 -1.623 -2.361 1.00 0.00 N ATOM 705 CA LYS A 49 73.233 -1.291 -3.408 1.00 0.00 C ATOM 706 C LYS A 49 73.483 -2.509 -4.303 1.00 0.00 C ATOM 707 O LYS A 49 74.097 -2.408 -5.346 1.00 0.00 O ATOM 708 CB LYS A 49 74.500 -0.917 -2.637 1.00 0.00 C ATOM 709 CG LYS A 49 75.474 -0.204 -3.578 1.00 0.00 C ATOM 710 CD LYS A 49 76.587 0.453 -2.759 1.00 0.00 C ATOM 711 CE LYS A 49 77.902 0.384 -3.540 1.00 0.00 C ATOM 712 NZ LYS A 49 78.675 1.578 -3.097 1.00 0.00 N ATOM 0 H LYS A 49 72.611 -1.950 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 49 72.902 -0.482 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.250 -0.270 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.965 -1.812 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.900 -0.916 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 49 74.946 0.549 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.332 1.491 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.694 -0.053 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.442 -0.538 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.724 0.405 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.591 1.601 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.140 2.441 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.835 1.527 -2.071 1.00 0.00 H new ATOM 726 N ASN A 50 73.010 -3.659 -3.902 1.00 0.00 N ATOM 727 CA ASN A 50 73.216 -4.883 -4.731 1.00 0.00 C ATOM 728 C ASN A 50 71.864 -5.487 -5.115 1.00 0.00 C ATOM 729 O ASN A 50 71.774 -6.342 -5.974 1.00 0.00 O ATOM 730 CB ASN A 50 73.988 -5.851 -3.832 1.00 0.00 C ATOM 731 CG ASN A 50 75.440 -5.389 -3.703 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.999 -4.840 -4.631 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.078 -5.594 -2.584 1.00 0.00 N ATOM 0 H ASN A 50 72.490 -3.804 -3.037 1.00 0.00 H new ATOM 0 HA ASN A 50 73.752 -4.668 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.522 -5.898 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.952 -6.857 -4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.048 -5.293 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.607 -6.055 -1.806 1.00 0.00 H new ATOM 740 N GLY A 51 70.812 -5.050 -4.480 1.00 0.00 N ATOM 741 CA GLY A 51 69.464 -5.599 -4.802 1.00 0.00 C ATOM 742 C GLY A 51 69.500 -7.123 -4.665 1.00 0.00 C ATOM 743 O GLY A 51 70.556 -7.709 -4.526 1.00 0.00 O ATOM 0 H GLY A 51 70.827 -4.336 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.716 -5.178 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.176 -5.319 -5.815 1.00 0.00 H new ATOM 747 N SER A 52 68.366 -7.782 -4.705 1.00 0.00 N ATOM 748 CA SER A 52 68.386 -9.281 -4.575 1.00 0.00 C ATOM 749 C SER A 52 66.979 -9.855 -4.369 1.00 0.00 C ATOM 750 O SER A 52 66.039 -9.145 -4.072 1.00 0.00 O ATOM 751 CB SER A 52 69.246 -9.567 -3.343 1.00 0.00 C ATOM 752 OG SER A 52 70.423 -10.259 -3.741 1.00 0.00 O ATOM 0 H SER A 52 67.444 -7.361 -4.819 1.00 0.00 H new ATOM 0 HA SER A 52 68.777 -9.743 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.510 -8.634 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.685 -10.164 -2.624 1.00 0.00 H new ATOM 0 HG SER A 52 71.026 -9.640 -4.203 1.00 0.00 H new ATOM 758 N GLN A 53 66.836 -11.150 -4.519 1.00 0.00 N ATOM 759 CA GLN A 53 65.500 -11.786 -4.329 1.00 0.00 C ATOM 760 C GLN A 53 65.470 -12.542 -2.994 1.00 0.00 C ATOM 761 O GLN A 53 66.395 -12.468 -2.210 1.00 0.00 O ATOM 762 CB GLN A 53 65.325 -12.724 -5.547 1.00 0.00 C ATOM 763 CG GLN A 53 65.476 -14.204 -5.159 1.00 0.00 C ATOM 764 CD GLN A 53 66.844 -14.431 -4.509 1.00 0.00 C ATOM 765 OE1 GLN A 53 66.927 -14.736 -3.337 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.926 -14.293 -5.226 1.00 0.00 N ATOM 0 H GLN A 53 67.589 -11.792 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 53 64.683 -11.066 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.342 -12.564 -5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.063 -12.471 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.683 -14.492 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.374 -14.834 -6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.856 -14.037 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.841 -14.441 -4.801 1.00 0.00 H new ATOM 775 N GLY A 54 64.416 -13.259 -2.724 1.00 0.00 N ATOM 776 CA GLY A 54 64.337 -14.002 -1.437 1.00 0.00 C ATOM 777 C GLY A 54 64.249 -12.997 -0.291 1.00 0.00 C ATOM 778 O GLY A 54 64.349 -13.348 0.868 1.00 0.00 O ATOM 0 H GLY A 54 63.608 -13.362 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.465 -14.656 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.214 -14.638 -1.314 1.00 0.00 H new ATOM 782 N VAL A 55 64.057 -11.747 -0.608 1.00 0.00 N ATOM 783 CA VAL A 55 63.956 -10.712 0.455 1.00 0.00 C ATOM 784 C VAL A 55 62.498 -10.564 0.884 1.00 0.00 C ATOM 785 O VAL A 55 62.174 -10.613 2.054 1.00 0.00 O ATOM 786 CB VAL A 55 64.457 -9.428 -0.207 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.519 -8.307 0.828 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.855 -9.669 -0.783 1.00 0.00 C ATOM 0 H VAL A 55 63.965 -11.398 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 55 64.531 -10.960 1.347 1.00 0.00 H new ATOM 0 HB VAL A 55 63.775 -9.141 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.876 -7.393 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.524 -8.137 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.201 -8.590 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.216 -8.756 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.535 -9.955 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.811 -10.468 -1.523 1.00 0.00 H new ATOM 798 N TRP A 56 61.618 -10.387 -0.060 1.00 0.00 N ATOM 799 CA TRP A 56 60.180 -10.238 0.270 1.00 0.00 C ATOM 800 C TRP A 56 59.351 -11.202 -0.584 1.00 0.00 C ATOM 801 O TRP A 56 58.360 -11.747 -0.141 1.00 0.00 O ATOM 802 CB TRP A 56 59.858 -8.798 -0.099 1.00 0.00 C ATOM 803 CG TRP A 56 60.445 -7.874 0.919 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.594 -7.179 0.760 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.933 -7.523 2.239 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.820 -6.424 1.896 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.827 -6.602 2.836 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.795 -7.908 2.970 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.601 -6.082 4.108 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.565 -7.386 4.255 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.466 -6.474 4.821 1.00 0.00 C ATOM 0 H TRP A 56 61.839 -10.339 -1.055 1.00 0.00 H new ATOM 0 HA TRP A 56 59.959 -10.459 1.314 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.257 -8.567 -1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.778 -8.658 -0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.231 -7.209 -0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.624 -5.810 2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.094 -8.609 2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.299 -5.380 4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.689 -7.690 4.809 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.283 -6.075 5.808 1.00 0.00 H new ATOM 822 N GLY A 57 59.752 -11.408 -1.809 1.00 0.00 N ATOM 823 CA GLY A 57 58.993 -12.329 -2.699 1.00 0.00 C ATOM 824 C GLY A 57 59.845 -12.680 -3.926 1.00 0.00 C ATOM 825 O GLY A 57 61.033 -12.430 -3.944 1.00 0.00 O ATOM 0 H GLY A 57 60.574 -10.977 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.727 -13.237 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.061 -11.860 -3.014 1.00 0.00 H new ATOM 829 N PRO A 58 59.206 -13.256 -4.919 1.00 0.00 N ATOM 830 CA PRO A 58 59.910 -13.652 -6.168 1.00 0.00 C ATOM 831 C PRO A 58 60.340 -12.425 -6.986 1.00 0.00 C ATOM 832 O PRO A 58 60.834 -12.557 -8.088 1.00 0.00 O ATOM 833 CB PRO A 58 58.828 -14.431 -6.924 1.00 0.00 C ATOM 834 CG PRO A 58 57.535 -14.426 -6.086 1.00 0.00 C ATOM 835 CD PRO A 58 57.757 -13.553 -4.845 1.00 0.00 C ATOM 0 HA PRO A 58 60.823 -14.217 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.648 -13.977 -7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.157 -15.454 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.704 -14.040 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.272 -15.442 -5.791 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.154 -12.645 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.497 -14.079 -3.927 1.00 0.00 H new ATOM 843 N ILE A 59 60.147 -11.237 -6.476 1.00 0.00 N ATOM 844 CA ILE A 59 60.544 -10.026 -7.252 1.00 0.00 C ATOM 845 C ILE A 59 61.760 -9.349 -6.609 1.00 0.00 C ATOM 846 O ILE A 59 61.615 -8.403 -5.859 1.00 0.00 O ATOM 847 CB ILE A 59 59.326 -9.107 -7.197 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.119 -9.833 -7.798 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.612 -7.834 -7.997 1.00 0.00 C ATOM 850 CD1 ILE A 59 56.994 -8.831 -8.063 1.00 0.00 C ATOM 0 H ILE A 59 59.734 -11.054 -5.561 1.00 0.00 H new ATOM 0 HA ILE A 59 60.828 -10.269 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 59 59.112 -8.841 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.405 -10.327 -8.726 1.00 0.00 H new ATOM 0 HG13 ILE A 59 57.774 -10.610 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.743 -7.177 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.474 -7.321 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.823 -8.096 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.137 -9.351 -8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.701 -8.357 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.342 -8.070 -8.761 1.00 0.00 H new ATOM 862 N PRO A 60 62.927 -9.852 -6.928 1.00 0.00 N ATOM 863 CA PRO A 60 64.182 -9.287 -6.381 1.00 0.00 C ATOM 864 C PRO A 60 64.326 -7.812 -6.747 1.00 0.00 C ATOM 865 O PRO A 60 63.713 -7.327 -7.677 1.00 0.00 O ATOM 866 CB PRO A 60 65.259 -10.108 -7.093 1.00 0.00 C ATOM 867 CG PRO A 60 64.575 -11.123 -8.025 1.00 0.00 C ATOM 868 CD PRO A 60 63.057 -11.006 -7.847 1.00 0.00 C ATOM 0 HA PRO A 60 64.232 -9.336 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 60 65.916 -9.453 -7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.882 -10.626 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 60 64.850 -10.930 -9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.906 -12.135 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.550 -10.828 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.628 -11.913 -7.422 1.00 0.00 H new ATOM 876 N MET A 61 65.148 -7.103 -6.031 1.00 0.00 N ATOM 877 CA MET A 61 65.355 -5.669 -6.342 1.00 0.00 C ATOM 878 C MET A 61 66.610 -5.509 -7.204 1.00 0.00 C ATOM 879 O MET A 61 67.645 -6.043 -6.863 1.00 0.00 O ATOM 880 CB MET A 61 65.574 -5.005 -4.988 1.00 0.00 C ATOM 881 CG MET A 61 66.039 -3.563 -5.199 1.00 0.00 C ATOM 882 SD MET A 61 66.110 -2.706 -3.606 1.00 0.00 S ATOM 883 CE MET A 61 67.442 -3.685 -2.872 1.00 0.00 C ATOM 0 H MET A 61 65.687 -7.458 -5.241 1.00 0.00 H new ATOM 0 HA MET A 61 64.517 -5.234 -6.887 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.650 -5.020 -4.410 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.318 -5.559 -4.415 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.021 -3.553 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.355 -3.045 -5.872 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.568 -3.403 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 61 67.192 -4.744 -2.934 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.370 -3.499 -3.412 1.00 0.00 H new ATOM 893 N PRO A 62 66.494 -4.772 -8.280 1.00 0.00 N ATOM 894 CA PRO A 62 67.659 -4.537 -9.162 1.00 0.00 C ATOM 895 C PRO A 62 68.688 -3.676 -8.414 1.00 0.00 C ATOM 896 O PRO A 62 68.329 -2.680 -7.818 1.00 0.00 O ATOM 897 CB PRO A 62 67.042 -3.768 -10.336 1.00 0.00 C ATOM 898 CG PRO A 62 65.533 -3.592 -10.071 1.00 0.00 C ATOM 899 CD PRO A 62 65.211 -4.151 -8.679 1.00 0.00 C ATOM 0 HA PRO A 62 68.179 -5.441 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.523 -2.796 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.202 -4.309 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.259 -2.538 -10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.952 -4.114 -10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.907 -3.366 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.400 -4.879 -8.711 1.00 0.00 H new ATOM 907 N PRO A 63 69.932 -4.082 -8.450 1.00 0.00 N ATOM 908 CA PRO A 63 70.988 -3.323 -7.743 1.00 0.00 C ATOM 909 C PRO A 63 71.052 -1.886 -8.267 1.00 0.00 C ATOM 910 O PRO A 63 70.918 -1.639 -9.449 1.00 0.00 O ATOM 911 CB PRO A 63 72.256 -4.103 -8.093 1.00 0.00 C ATOM 912 CG PRO A 63 71.874 -5.289 -9.001 1.00 0.00 C ATOM 913 CD PRO A 63 70.350 -5.294 -9.189 1.00 0.00 C ATOM 0 HA PRO A 63 70.827 -3.237 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.970 -3.454 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.740 -4.463 -7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.373 -5.202 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.203 -6.228 -8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 63 70.071 -5.244 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.894 -6.196 -8.781 1.00 0.00 H new ATOM 921 N ASN A 64 71.241 -0.936 -7.393 1.00 0.00 N ATOM 922 CA ASN A 64 71.298 0.488 -7.836 1.00 0.00 C ATOM 923 C ASN A 64 72.691 1.077 -7.595 1.00 0.00 C ATOM 924 O ASN A 64 73.499 0.518 -6.879 1.00 0.00 O ATOM 925 CB ASN A 64 70.261 1.201 -6.969 1.00 0.00 C ATOM 926 CG ASN A 64 68.897 0.536 -7.156 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.623 -0.558 -6.499 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.073 1.014 -7.910 1.00 0.00 N flip ATOM 0 H ASN A 64 71.359 -1.083 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 64 71.097 0.595 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.557 1.160 -5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.205 2.255 -7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.287 1.869 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.167 0.560 -8.029 1.00 0.00 H new ATOM 935 N ALA A 65 72.974 2.206 -8.187 1.00 0.00 N ATOM 936 CA ALA A 65 74.310 2.837 -7.992 1.00 0.00 C ATOM 937 C ALA A 65 74.270 3.791 -6.794 1.00 0.00 C ATOM 938 O ALA A 65 74.865 4.850 -6.807 1.00 0.00 O ATOM 939 CB ALA A 65 74.574 3.607 -9.287 1.00 0.00 C ATOM 0 H ALA A 65 72.337 2.718 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 65 75.091 2.105 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.543 4.103 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.574 2.914 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.793 4.354 -9.432 1.00 0.00 H new ATOM 945 N VAL A 66 73.568 3.420 -5.758 1.00 0.00 N ATOM 946 CA VAL A 66 73.479 4.297 -4.552 1.00 0.00 C ATOM 947 C VAL A 66 74.817 4.310 -3.801 1.00 0.00 C ATOM 948 O VAL A 66 75.256 3.300 -3.294 1.00 0.00 O ATOM 949 CB VAL A 66 72.400 3.651 -3.682 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.089 3.570 -4.461 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.847 2.240 -3.289 1.00 0.00 C ATOM 0 H VAL A 66 73.050 2.544 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 66 73.246 5.330 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 66 72.249 4.253 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.323 3.109 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.771 4.574 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.236 2.969 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 66 72.081 1.775 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.998 1.642 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.781 2.297 -2.730 1.00 0.00 H new ATOM 961 N SER A 67 75.464 5.443 -3.716 1.00 0.00 N ATOM 962 CA SER A 67 76.764 5.492 -2.982 1.00 0.00 C ATOM 963 C SER A 67 76.588 4.876 -1.591 1.00 0.00 C ATOM 964 O SER A 67 75.505 4.473 -1.221 1.00 0.00 O ATOM 965 CB SER A 67 77.111 6.977 -2.871 1.00 0.00 C ATOM 966 OG SER A 67 77.535 7.458 -4.139 1.00 0.00 O ATOM 0 H SER A 67 75.153 6.328 -4.118 1.00 0.00 H new ATOM 0 HA SER A 67 77.551 4.935 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.243 7.540 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.899 7.124 -2.132 1.00 0.00 H new ATOM 0 HG SER A 67 77.756 8.410 -4.070 1.00 0.00 H new ATOM 972 N ASP A 68 77.634 4.799 -0.816 1.00 0.00 N ATOM 973 CA ASP A 68 77.499 4.207 0.547 1.00 0.00 C ATOM 974 C ASP A 68 76.504 5.022 1.373 1.00 0.00 C ATOM 975 O ASP A 68 75.497 4.516 1.828 1.00 0.00 O ATOM 976 CB ASP A 68 78.898 4.288 1.163 1.00 0.00 C ATOM 977 CG ASP A 68 79.553 2.907 1.131 1.00 0.00 C ATOM 978 OD1 ASP A 68 79.734 2.384 0.044 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.864 2.396 2.195 1.00 0.00 O ATOM 0 H ASP A 68 78.571 5.118 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 68 77.130 3.182 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.508 5.004 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.834 4.648 2.190 1.00 0.00 H new ATOM 984 N ASP A 69 76.771 6.283 1.561 1.00 0.00 N ATOM 985 CA ASP A 69 75.835 7.131 2.349 1.00 0.00 C ATOM 986 C ASP A 69 74.455 7.139 1.687 1.00 0.00 C ATOM 987 O ASP A 69 73.476 7.559 2.272 1.00 0.00 O ATOM 988 CB ASP A 69 76.452 8.529 2.324 1.00 0.00 C ATOM 989 CG ASP A 69 76.313 9.120 0.919 1.00 0.00 C ATOM 990 OD1 ASP A 69 75.284 9.717 0.648 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.238 8.964 0.139 1.00 0.00 O ATOM 0 H ASP A 69 77.597 6.763 1.203 1.00 0.00 H new ATOM 0 HA ASP A 69 75.699 6.766 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 69 75.955 9.171 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.503 8.480 2.608 1.00 0.00 H new ATOM 996 N GLU A 70 74.369 6.677 0.468 1.00 0.00 N ATOM 997 CA GLU A 70 73.054 6.659 -0.227 1.00 0.00 C ATOM 998 C GLU A 70 72.252 5.428 0.193 1.00 0.00 C ATOM 999 O GLU A 70 71.085 5.517 0.508 1.00 0.00 O ATOM 1000 CB GLU A 70 73.393 6.605 -1.716 1.00 0.00 C ATOM 1001 CG GLU A 70 73.395 8.024 -2.286 1.00 0.00 C ATOM 1002 CD GLU A 70 71.955 8.516 -2.435 1.00 0.00 C ATOM 1003 OE1 GLU A 70 71.067 7.682 -2.487 1.00 0.00 O ATOM 1004 OE2 GLU A 70 71.764 9.720 -2.495 1.00 0.00 O ATOM 0 H GLU A 70 75.152 6.312 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 70 72.444 7.529 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.368 6.141 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.665 5.990 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.952 8.691 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 70 73.897 8.038 -3.253 1.00 0.00 H new ATOM 1011 N ALA A 71 72.870 4.283 0.215 1.00 0.00 N ATOM 1012 CA ALA A 71 72.130 3.059 0.633 1.00 0.00 C ATOM 1013 C ALA A 71 71.882 3.117 2.140 1.00 0.00 C ATOM 1014 O ALA A 71 70.966 2.507 2.655 1.00 0.00 O ATOM 1015 CB ALA A 71 73.050 1.890 0.281 1.00 0.00 C ATOM 0 H ALA A 71 73.848 4.140 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 71 71.162 2.961 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.570 0.952 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.246 1.891 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.991 1.992 0.822 1.00 0.00 H new ATOM 1021 N GLN A 72 72.685 3.865 2.846 1.00 0.00 N ATOM 1022 CA GLN A 72 72.492 3.987 4.316 1.00 0.00 C ATOM 1023 C GLN A 72 71.310 4.911 4.588 1.00 0.00 C ATOM 1024 O GLN A 72 70.457 4.623 5.404 1.00 0.00 O ATOM 1025 CB GLN A 72 73.793 4.599 4.842 1.00 0.00 C ATOM 1026 CG GLN A 72 74.429 3.653 5.863 1.00 0.00 C ATOM 1027 CD GLN A 72 75.945 3.864 5.881 1.00 0.00 C ATOM 1028 OE1 GLN A 72 76.702 2.917 5.947 1.00 0.00 O ATOM 1029 NE2 GLN A 72 76.422 5.078 5.824 1.00 0.00 N ATOM 0 H GLN A 72 73.468 4.397 2.466 1.00 0.00 H new ATOM 0 HA GLN A 72 72.281 3.032 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.483 4.777 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.592 5.566 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.014 3.838 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 72 74.198 2.618 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 72 75.786 5.874 5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.430 5.231 5.835 1.00 0.00 H new ATOM 1038 N THR A 73 71.242 6.009 3.891 1.00 0.00 N ATOM 1039 CA THR A 73 70.101 6.941 4.087 1.00 0.00 C ATOM 1040 C THR A 73 68.860 6.339 3.433 1.00 0.00 C ATOM 1041 O THR A 73 67.740 6.663 3.771 1.00 0.00 O ATOM 1042 CB THR A 73 70.505 8.235 3.383 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.769 8.664 3.870 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.456 9.315 3.656 1.00 0.00 C ATOM 0 H THR A 73 71.927 6.301 3.194 1.00 0.00 H new ATOM 0 HA THR A 73 69.875 7.120 5.138 1.00 0.00 H new ATOM 0 HB THR A 73 70.571 8.059 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.456 8.491 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.745 10.238 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.488 8.985 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.387 9.492 4.729 1.00 0.00 H new ATOM 1052 N LEU A 74 69.064 5.449 2.497 1.00 0.00 N ATOM 1053 CA LEU A 74 67.911 4.804 1.814 1.00 0.00 C ATOM 1054 C LEU A 74 67.286 3.765 2.745 1.00 0.00 C ATOM 1055 O LEU A 74 66.081 3.633 2.824 1.00 0.00 O ATOM 1056 CB LEU A 74 68.504 4.140 0.569 1.00 0.00 C ATOM 1057 CG LEU A 74 68.709 5.200 -0.517 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.608 4.636 -1.618 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.354 5.588 -1.112 1.00 0.00 C ATOM 0 H LEU A 74 69.983 5.142 2.178 1.00 0.00 H new ATOM 0 HA LEU A 74 67.126 5.512 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.454 3.664 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.838 3.356 0.208 1.00 0.00 H new ATOM 0 HG LEU A 74 69.180 6.081 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.754 5.391 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.573 4.360 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.139 3.755 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.499 6.343 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.883 4.707 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.714 5.991 -0.327 1.00 0.00 H new ATOM 1071 N ALA A 75 68.096 3.037 3.467 1.00 0.00 N ATOM 1072 CA ALA A 75 67.541 2.025 4.407 1.00 0.00 C ATOM 1073 C ALA A 75 66.905 2.745 5.595 1.00 0.00 C ATOM 1074 O ALA A 75 65.822 2.412 6.032 1.00 0.00 O ATOM 1075 CB ALA A 75 68.740 1.191 4.858 1.00 0.00 C ATOM 0 H ALA A 75 69.114 3.100 3.446 1.00 0.00 H new ATOM 0 HA ALA A 75 66.775 1.399 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.407 0.422 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.202 0.719 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.468 1.836 5.350 1.00 0.00 H new ATOM 1081 N LYS A 76 67.567 3.745 6.110 1.00 0.00 N ATOM 1082 CA LYS A 76 66.997 4.503 7.256 1.00 0.00 C ATOM 1083 C LYS A 76 65.736 5.234 6.798 1.00 0.00 C ATOM 1084 O LYS A 76 64.811 5.442 7.558 1.00 0.00 O ATOM 1085 CB LYS A 76 68.082 5.503 7.651 1.00 0.00 C ATOM 1086 CG LYS A 76 68.905 4.939 8.810 1.00 0.00 C ATOM 1087 CD LYS A 76 69.788 6.045 9.391 1.00 0.00 C ATOM 1088 CE LYS A 76 70.371 5.589 10.730 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.097 6.779 11.253 1.00 0.00 N ATOM 0 H LYS A 76 68.478 4.069 5.785 1.00 0.00 H new ATOM 0 HA LYS A 76 66.721 3.861 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.729 5.708 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.628 6.451 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.244 4.543 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.522 4.110 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 76 70.593 6.284 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.204 6.955 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 69.586 5.272 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 76 71.043 4.741 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 71.527 6.548 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 71.842 7.054 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 70.430 7.568 11.372 1.00 0.00 H new ATOM 1103 N TRP A 77 65.697 5.618 5.550 1.00 0.00 N ATOM 1104 CA TRP A 77 64.503 6.333 5.017 1.00 0.00 C ATOM 1105 C TRP A 77 63.295 5.394 5.006 1.00 0.00 C ATOM 1106 O TRP A 77 62.206 5.764 5.401 1.00 0.00 O ATOM 1107 CB TRP A 77 64.895 6.732 3.595 1.00 0.00 C ATOM 1108 CG TRP A 77 63.735 7.380 2.913 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.111 8.507 3.330 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.054 6.963 1.698 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.090 8.805 2.445 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.015 7.881 1.422 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.238 5.883 0.817 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.187 7.735 0.310 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.406 5.732 -0.304 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.381 6.656 -0.557 1.00 0.00 C ATOM 0 H TRP A 77 66.445 5.466 4.874 1.00 0.00 H new ATOM 0 HA TRP A 77 64.224 7.198 5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.743 7.417 3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.213 5.852 3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.368 9.079 4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.469 9.609 2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.023 5.166 1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.401 8.451 0.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.556 4.900 -0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.743 6.534 -1.420 1.00 0.00 H new ATOM 1127 N ILE A 78 63.477 4.179 4.565 1.00 0.00 N ATOM 1128 CA ILE A 78 62.336 3.220 4.545 1.00 0.00 C ATOM 1129 C ILE A 78 61.829 2.995 5.969 1.00 0.00 C ATOM 1130 O ILE A 78 60.643 3.042 6.232 1.00 0.00 O ATOM 1131 CB ILE A 78 62.912 1.926 3.964 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.423 2.181 2.541 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.822 0.853 3.931 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.339 1.033 2.114 1.00 0.00 C ATOM 0 H ILE A 78 64.363 3.810 4.219 1.00 0.00 H new ATOM 0 HA ILE A 78 61.493 3.583 3.957 1.00 0.00 H new ATOM 0 HB ILE A 78 63.739 1.587 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.583 2.266 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.964 3.126 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.231 -0.069 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.462 0.668 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 78 60.995 1.194 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.702 1.214 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.186 0.970 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 78 63.783 0.096 2.137 1.00 0.00 H new ATOM 1146 N LEU A 79 62.720 2.759 6.891 1.00 0.00 N ATOM 1147 CA LEU A 79 62.293 2.541 8.302 1.00 0.00 C ATOM 1148 C LEU A 79 61.877 3.873 8.928 1.00 0.00 C ATOM 1149 O LEU A 79 61.279 3.914 9.986 1.00 0.00 O ATOM 1150 CB LEU A 79 63.527 1.977 9.008 1.00 0.00 C ATOM 1151 CG LEU A 79 63.557 0.456 8.849 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.678 0.065 7.885 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.809 -0.191 10.212 1.00 0.00 C ATOM 0 H LEU A 79 63.726 2.708 6.729 1.00 0.00 H new ATOM 0 HA LEU A 79 61.440 1.867 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.432 2.415 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.507 2.242 10.065 1.00 0.00 H new ATOM 0 HG LEU A 79 62.602 0.112 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.699 -1.019 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.501 0.528 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.634 0.407 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.831 -1.275 10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.765 0.153 10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 79 63.011 0.088 10.900 1.00 0.00 H new ATOM 1165 N SER A 80 62.187 4.962 8.282 1.00 0.00 N ATOM 1166 CA SER A 80 61.810 6.293 8.835 1.00 0.00 C ATOM 1167 C SER A 80 60.422 6.698 8.331 1.00 0.00 C ATOM 1168 O SER A 80 59.767 7.541 8.908 1.00 0.00 O ATOM 1169 CB SER A 80 62.875 7.257 8.309 1.00 0.00 C ATOM 1170 OG SER A 80 63.905 7.395 9.281 1.00 0.00 O ATOM 0 H SER A 80 62.686 4.988 7.393 1.00 0.00 H new ATOM 0 HA SER A 80 61.765 6.292 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.290 6.883 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.429 8.228 8.095 1.00 0.00 H new ATOM 0 HG SER A 80 64.641 6.784 9.067 1.00 0.00 H new ATOM 1176 N GLN A 81 59.972 6.102 7.256 1.00 0.00 N ATOM 1177 CA GLN A 81 58.624 6.454 6.715 1.00 0.00 C ATOM 1178 C GLN A 81 57.625 6.634 7.859 1.00 0.00 C ATOM 1179 O GLN A 81 56.676 7.386 7.757 1.00 0.00 O ATOM 1180 CB GLN A 81 58.224 5.267 5.840 1.00 0.00 C ATOM 1181 CG GLN A 81 58.226 5.691 4.371 1.00 0.00 C ATOM 1182 CD GLN A 81 59.529 6.427 4.053 1.00 0.00 C ATOM 1183 OE1 GLN A 81 60.524 5.811 3.723 1.00 0.00 O ATOM 1184 NE2 GLN A 81 59.567 7.729 4.137 1.00 0.00 N ATOM 0 H GLN A 81 60.478 5.389 6.731 1.00 0.00 H new ATOM 0 HA GLN A 81 58.638 7.388 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.918 4.440 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.235 4.909 6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 81 58.124 4.816 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 81 57.372 6.337 4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 81 58.733 8.247 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.431 8.229 3.926 1.00 0.00 H new ATOM 1193 N LYS A 82 57.831 5.950 8.952 1.00 0.00 N ATOM 1194 CA LYS A 82 56.894 6.087 10.104 1.00 0.00 C ATOM 1195 C LYS A 82 55.511 5.544 9.735 1.00 0.00 C ATOM 1196 O LYS A 82 55.042 4.654 10.423 1.00 0.00 O ATOM 1197 CB LYS A 82 56.828 7.588 10.379 1.00 0.00 C ATOM 1198 CG LYS A 82 57.159 7.853 11.848 1.00 0.00 C ATOM 1199 CD LYS A 82 56.594 9.212 12.261 1.00 0.00 C ATOM 1200 CE LYS A 82 57.474 9.820 13.355 1.00 0.00 C ATOM 1201 NZ LYS A 82 56.590 10.782 14.070 1.00 0.00 N ATOM 1202 OXT LYS A 82 54.945 6.028 8.767 1.00 0.00 O ATOM 0 H LYS A 82 58.606 5.303 9.097 1.00 0.00 H new ATOM 0 HA LYS A 82 57.227 5.526 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 82 57.531 8.117 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 82 55.833 7.968 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 82 56.738 7.067 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 82 58.239 7.835 11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 56.554 9.878 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 82 55.572 9.098 12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 82 57.850 9.052 14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 82 58.342 10.323 12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 57.123 11.240 14.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 56.252 11.505 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 55.776 10.274 14.471 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.584 -1.434 -3.759 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.211 -4.163 -1.867 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.102 0.193 -1.177 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.528 0.980 -5.874 1.00 0.00 C HETATM 1221 CHD HEM A 83 61.784 -2.894 -6.221 1.00 0.00 C HETATM 1222 NA HEM A 83 64.057 -1.887 -1.927 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.957 -3.128 -1.355 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.701 -3.206 -0.137 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.089 -1.943 0.159 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.699 -1.118 -0.973 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.811 -1.496 1.420 1.00 0.00 C HETATM 1228 CAA HEM A 83 65.174 -4.511 0.478 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.609 -5.492 -0.618 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.772 -6.345 -0.110 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.555 -6.795 -0.931 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.859 -6.536 1.092 1.00 0.00 O HETATM 1233 NB HEM A 83 64.542 0.246 -3.554 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.045 0.827 -2.407 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.671 2.102 -2.709 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.583 2.255 -4.051 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.871 1.122 -4.551 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.270 3.078 -1.714 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.160 3.319 -4.986 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.645 3.083 -5.263 1.00 0.00 C HETATM 1241 NC HEM A 83 63.259 -1.056 -5.646 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.782 -0.037 -6.398 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.336 -0.101 -7.771 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.494 -1.150 -7.834 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.471 -1.746 -6.527 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.749 0.823 -8.903 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.576 -1.582 -8.975 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.340 -1.768 -10.287 1.00 0.00 C HETATM 1249 ND HEM A 83 62.623 -3.119 -3.963 1.00 0.00 N HETATM 1250 C1D HEM A 83 61.845 -3.538 -5.014 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.243 -4.824 -4.747 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.728 -5.224 -3.556 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.565 -4.155 -3.072 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.210 -5.547 -5.598 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.485 -6.561 -2.879 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.567 -7.570 -3.265 1.00 0.00 C HETATM 1257 CGD HEM A 83 61.950 -8.966 -3.372 1.00 0.00 C HETATM 1258 O1D HEM A 83 60.765 -9.091 -3.107 1.00 0.00 O HETATM 1259 O2D HEM A 83 62.671 -9.887 -3.717 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.458 -0.650 1.188 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.414 -2.319 1.805 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 65.080 -1.199 2.172 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.085 3.626 -2.187 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.653 2.531 -0.853 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.503 3.780 -1.386 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.979 1.810 -8.502 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 62.934 0.905 -9.622 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 64.631 0.418 -9.400 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 59.594 -4.816 -6.122 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 59.577 -6.162 -4.958 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 60.717 -6.182 -6.325 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.193 3.764 -5.915 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.156 2.234 -4.809 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.809 -2.076 -11.188 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.415 -1.593 -10.321 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 65.909 -4.945 -1.512 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.773 -6.131 -0.901 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 64.374 -4.951 1.072 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 66.006 -4.320 1.156 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 63.363 -7.569 -2.520 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 63.020 -7.287 -4.215 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.505 -6.945 -3.163 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.474 -6.429 -1.797 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.128 -5.057 -1.267 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.480 0.749 -0.332 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.879 1.738 -6.559 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.151 -3.319 -6.986 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.583 4.144 -5.404 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.503 -1.739 -8.867 1.00 0.00 H new