USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 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= -9.43! C(o=-9.6!,f=-18!) USER MOD Set 1.2: A 27 TYR OH : rot 172:sc= -0.214 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.96 F(o=-3.6!,f=-3) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.495) USER MOD Single : A 13 MET CE :methyl 168:sc= -2.07 (180deg=-2.66!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -139:sc= -5.44! (180deg=-9.63!) 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= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 46 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.79) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 0.174 (180deg=-0.437) USER MOD Single : A 50 ASN : amide:sc= -0.0963 K(o=-0.096,f=-4.7!) USER MOD Single : A 52 SER OG : rot 53:sc= 0.823 USER MOD Single : A 53 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5!) USER MOD Single : A 61 MET CE :methyl -106:sc= -8.01! (180deg=-12.5!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.659 F(o=-2.9,f=-0.66) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 73 THR OG1 : rot 81:sc= 0.156 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -4.62! C(o=-4.6!,f=-7!) 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= -10.7! (180deg=-10.7!) USER MOD Single : A 83 HEM CMC :methyl 150:sc= -0.819 (180deg=-0.819) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -3.9! (180deg=-4.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 68.509 19.001 1.175 1.00 0.00 N ATOM 2 CA GLU A 1 68.431 17.733 0.391 1.00 0.00 C ATOM 3 C GLU A 1 67.970 16.579 1.285 1.00 0.00 C ATOM 4 O GLU A 1 68.771 15.881 1.873 1.00 0.00 O ATOM 5 CB GLU A 1 69.856 17.485 -0.105 1.00 0.00 C ATOM 6 CG GLU A 1 69.977 16.043 -0.607 1.00 0.00 C ATOM 7 CD GLU A 1 70.915 15.997 -1.816 1.00 0.00 C ATOM 8 OE1 GLU A 1 70.712 16.781 -2.728 1.00 0.00 O ATOM 9 OE2 GLU A 1 71.819 15.179 -1.809 1.00 0.00 O ATOM 0 H1 GLU A 1 68.823 19.774 0.554 1.00 0.00 H new ATOM 0 H2 GLU A 1 67.571 19.228 1.563 1.00 0.00 H new ATOM 0 H3 GLU A 1 69.187 18.886 1.955 1.00 0.00 H new ATOM 0 HA GLU A 1 67.717 17.803 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 1 70.100 18.182 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 1 70.569 17.662 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 1 70.359 15.402 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 1 68.994 15.659 -0.882 1.00 0.00 H new ATOM 18 N ASP A 2 66.685 16.366 1.387 1.00 0.00 N ATOM 19 CA ASP A 2 66.181 15.249 2.237 1.00 0.00 C ATOM 20 C ASP A 2 66.287 13.924 1.474 1.00 0.00 C ATOM 21 O ASP A 2 66.425 13.919 0.266 1.00 0.00 O ATOM 22 CB ASP A 2 64.718 15.593 2.522 1.00 0.00 C ATOM 23 CG ASP A 2 64.500 15.682 4.034 1.00 0.00 C ATOM 24 OD1 ASP A 2 65.095 16.552 4.647 1.00 0.00 O ATOM 25 OD2 ASP A 2 63.742 14.879 4.552 1.00 0.00 O ATOM 0 H ASP A 2 65.964 16.916 0.920 1.00 0.00 H new ATOM 0 HA ASP A 2 66.754 15.135 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 2 64.457 16.540 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.065 14.833 2.094 1.00 0.00 H new ATOM 30 N PRO A 3 66.222 12.836 2.202 1.00 0.00 N ATOM 31 CA PRO A 3 66.316 11.496 1.577 1.00 0.00 C ATOM 32 C PRO A 3 65.182 11.288 0.573 1.00 0.00 C ATOM 33 O PRO A 3 65.259 10.443 -0.295 1.00 0.00 O ATOM 34 CB PRO A 3 66.180 10.553 2.777 1.00 0.00 C ATOM 35 CG PRO A 3 66.011 11.400 4.055 1.00 0.00 C ATOM 36 CD PRO A 3 66.050 12.885 3.672 1.00 0.00 C ATOM 0 HA PRO A 3 67.235 11.339 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.322 9.894 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.061 9.917 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.067 11.161 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.805 11.173 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.133 13.401 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.873 13.408 4.159 1.00 0.00 H new ATOM 44 N GLU A 4 64.135 12.058 0.674 1.00 0.00 N ATOM 45 CA GLU A 4 63.011 11.901 -0.289 1.00 0.00 C ATOM 46 C GLU A 4 63.457 12.390 -1.670 1.00 0.00 C ATOM 47 O GLU A 4 63.134 11.804 -2.687 1.00 0.00 O ATOM 48 CB GLU A 4 61.884 12.773 0.270 1.00 0.00 C ATOM 49 CG GLU A 4 62.177 14.249 -0.014 1.00 0.00 C ATOM 50 CD GLU A 4 60.987 15.097 0.433 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.665 15.058 1.609 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.415 15.769 -0.408 1.00 0.00 O ATOM 0 H GLU A 4 64.009 12.785 1.378 1.00 0.00 H new ATOM 0 HA GLU A 4 62.688 10.866 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.934 12.488 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.787 12.613 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 63.078 14.560 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.364 14.396 -1.078 1.00 0.00 H new ATOM 59 N VAL A 5 64.210 13.457 -1.709 1.00 0.00 N ATOM 60 CA VAL A 5 64.692 13.988 -3.016 1.00 0.00 C ATOM 61 C VAL A 5 65.618 12.974 -3.681 1.00 0.00 C ATOM 62 O VAL A 5 65.411 12.571 -4.808 1.00 0.00 O ATOM 63 CB VAL A 5 65.463 15.262 -2.673 1.00 0.00 C ATOM 64 CG1 VAL A 5 65.993 15.901 -3.959 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.532 16.247 -1.962 1.00 0.00 C ATOM 0 H VAL A 5 64.512 13.984 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 5 63.872 14.183 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 5 66.299 15.014 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.543 16.810 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.657 15.201 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.157 16.148 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.082 17.156 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.696 16.494 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.154 15.794 -1.046 1.00 0.00 H new ATOM 75 N LEU A 6 66.641 12.560 -2.991 1.00 0.00 N ATOM 76 CA LEU A 6 67.582 11.570 -3.586 1.00 0.00 C ATOM 77 C LEU A 6 66.881 10.222 -3.753 1.00 0.00 C ATOM 78 O LEU A 6 67.265 9.406 -4.568 1.00 0.00 O ATOM 79 CB LEU A 6 68.748 11.469 -2.600 1.00 0.00 C ATOM 80 CG LEU A 6 68.239 11.079 -1.214 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.261 9.556 -1.072 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.155 11.703 -0.159 1.00 0.00 C ATOM 0 H LEU A 6 66.867 12.862 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 6 67.929 11.870 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.467 10.730 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.272 12.423 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 6 67.219 11.437 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.898 9.278 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.620 9.110 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.281 9.193 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.802 11.432 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.172 11.335 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.145 12.788 -0.264 1.00 0.00 H new ATOM 94 N ALA A 7 65.844 9.990 -2.997 1.00 0.00 N ATOM 95 CA ALA A 7 65.105 8.702 -3.123 1.00 0.00 C ATOM 96 C ALA A 7 64.399 8.651 -4.480 1.00 0.00 C ATOM 97 O ALA A 7 64.257 7.605 -5.080 1.00 0.00 O ATOM 98 CB ALA A 7 64.082 8.717 -1.986 1.00 0.00 C ATOM 0 H ALA A 7 65.476 10.636 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 7 65.760 7.833 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.496 7.798 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.601 8.790 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.419 9.574 -2.105 1.00 0.00 H new ATOM 104 N LYS A 8 63.959 9.779 -4.967 1.00 0.00 N ATOM 105 CA LYS A 8 63.264 9.806 -6.286 1.00 0.00 C ATOM 106 C LYS A 8 64.290 9.772 -7.425 1.00 0.00 C ATOM 107 O LYS A 8 64.078 9.152 -8.447 1.00 0.00 O ATOM 108 CB LYS A 8 62.495 11.129 -6.297 1.00 0.00 C ATOM 109 CG LYS A 8 61.085 10.899 -6.842 1.00 0.00 C ATOM 110 CD LYS A 8 60.727 12.020 -7.821 1.00 0.00 C ATOM 111 CE LYS A 8 59.352 12.593 -7.468 1.00 0.00 C ATOM 112 NZ LYS A 8 59.609 13.567 -6.371 1.00 0.00 N ATOM 0 H LYS A 8 64.051 10.685 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 8 62.606 8.949 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.443 11.539 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.019 11.860 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.031 9.933 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.367 10.874 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.481 12.806 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.721 11.637 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.895 13.080 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 8 58.668 11.808 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.712 14.002 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 60.038 13.074 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 60.257 14.307 -6.708 1.00 0.00 H new ATOM 126 N ASN A 9 65.397 10.445 -7.257 1.00 0.00 N ATOM 127 CA ASN A 9 66.436 10.464 -8.331 1.00 0.00 C ATOM 128 C ASN A 9 67.027 9.068 -8.543 1.00 0.00 C ATOM 129 O ASN A 9 67.429 8.717 -9.634 1.00 0.00 O ATOM 130 CB ASN A 9 67.514 11.428 -7.831 1.00 0.00 C ATOM 131 CG ASN A 9 66.855 12.676 -7.241 1.00 0.00 C ATOM 132 OD1 ASN A 9 65.632 12.975 -7.582 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.459 13.388 -6.464 1.00 0.00 N flip ATOM 0 H ASN A 9 65.628 10.983 -6.422 1.00 0.00 H new ATOM 0 HA ASN A 9 66.019 10.775 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.131 10.940 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.175 11.707 -8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 9 68.415 13.155 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 9 67.010 14.219 -6.079 1.00 0.00 H new ATOM 140 N LYS A 10 67.092 8.266 -7.515 1.00 0.00 N ATOM 141 CA LYS A 10 67.665 6.902 -7.677 1.00 0.00 C ATOM 142 C LYS A 10 66.590 5.948 -8.198 1.00 0.00 C ATOM 143 O LYS A 10 66.881 4.886 -8.712 1.00 0.00 O ATOM 144 CB LYS A 10 68.118 6.486 -6.278 1.00 0.00 C ATOM 145 CG LYS A 10 68.940 7.606 -5.635 1.00 0.00 C ATOM 146 CD LYS A 10 70.425 7.346 -5.875 1.00 0.00 C ATOM 147 CE LYS A 10 71.179 7.431 -4.546 1.00 0.00 C ATOM 148 NZ LYS A 10 71.416 8.885 -4.333 1.00 0.00 N ATOM 0 H LYS A 10 66.774 8.496 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 10 68.490 6.881 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.250 6.260 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.714 5.575 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.655 8.570 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 10 68.736 7.654 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.565 6.362 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.824 8.076 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 10 70.594 7.002 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.118 6.880 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.442 9.087 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.324 9.155 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.648 9.430 -4.774 1.00 0.00 H new ATOM 162 N GLY A 11 65.347 6.323 -8.070 1.00 0.00 N ATOM 163 CA GLY A 11 64.250 5.445 -8.559 1.00 0.00 C ATOM 164 C GLY A 11 63.659 4.654 -7.391 1.00 0.00 C ATOM 165 O GLY A 11 62.909 3.719 -7.585 1.00 0.00 O ATOM 0 H GLY A 11 65.045 7.201 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.474 6.047 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.630 4.761 -9.318 1.00 0.00 H new ATOM 169 N CYS A 12 63.986 5.015 -6.179 1.00 0.00 N ATOM 170 CA CYS A 12 63.428 4.266 -5.015 1.00 0.00 C ATOM 171 C CYS A 12 61.920 4.504 -4.900 1.00 0.00 C ATOM 172 O CYS A 12 61.172 3.626 -4.518 1.00 0.00 O ATOM 173 CB CYS A 12 64.134 4.831 -3.780 1.00 0.00 C ATOM 174 SG CYS A 12 65.919 4.948 -4.062 1.00 0.00 S ATOM 0 H CYS A 12 64.609 5.788 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 12 63.585 3.193 -5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.733 5.817 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.938 4.193 -2.919 1.00 0.00 H new ATOM 179 N MET A 13 61.469 5.687 -5.209 1.00 0.00 N ATOM 180 CA MET A 13 60.012 5.984 -5.099 1.00 0.00 C ATOM 181 C MET A 13 59.261 5.526 -6.354 1.00 0.00 C ATOM 182 O MET A 13 58.066 5.711 -6.471 1.00 0.00 O ATOM 183 CB MET A 13 59.935 7.504 -4.953 1.00 0.00 C ATOM 184 CG MET A 13 60.463 7.913 -3.576 1.00 0.00 C ATOM 185 SD MET A 13 59.082 8.443 -2.532 1.00 0.00 S ATOM 186 CE MET A 13 58.040 6.983 -2.772 1.00 0.00 C ATOM 0 H MET A 13 62.046 6.463 -5.534 1.00 0.00 H new ATOM 0 HA MET A 13 59.552 5.462 -4.260 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.521 7.985 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.905 7.840 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.984 7.076 -3.111 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.187 8.722 -3.678 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.223 6.996 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.631 6.990 -3.782 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.637 6.082 -2.628 1.00 0.00 H new ATOM 196 N ALA A 14 59.946 4.935 -7.293 1.00 0.00 N ATOM 197 CA ALA A 14 59.256 4.475 -8.531 1.00 0.00 C ATOM 198 C ALA A 14 58.707 3.060 -8.339 1.00 0.00 C ATOM 199 O ALA A 14 57.630 2.730 -8.794 1.00 0.00 O ATOM 200 CB ALA A 14 60.334 4.492 -9.616 1.00 0.00 C ATOM 0 H ALA A 14 60.949 4.751 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 14 58.408 5.109 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.903 4.165 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.724 5.504 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.144 3.820 -9.334 1.00 0.00 H new ATOM 206 N CYS A 15 59.443 2.222 -7.665 1.00 0.00 N ATOM 207 CA CYS A 15 58.974 0.825 -7.439 1.00 0.00 C ATOM 208 C CYS A 15 58.410 0.673 -6.026 1.00 0.00 C ATOM 209 O CYS A 15 57.595 -0.189 -5.763 1.00 0.00 O ATOM 210 CB CYS A 15 60.226 -0.040 -7.572 1.00 0.00 C ATOM 211 SG CYS A 15 60.619 -0.327 -9.319 1.00 0.00 S ATOM 0 H CYS A 15 60.352 2.444 -7.259 1.00 0.00 H new ATOM 0 HA CYS A 15 58.189 0.547 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 15 61.067 0.449 -7.080 1.00 0.00 H new ATOM 0 HB3 CYS A 15 60.072 -0.993 -7.067 1.00 0.00 H new ATOM 216 N HIS A 16 58.860 1.482 -5.106 1.00 0.00 N ATOM 217 CA HIS A 16 58.371 1.350 -3.706 1.00 0.00 C ATOM 218 C HIS A 16 57.407 2.474 -3.331 1.00 0.00 C ATOM 219 O HIS A 16 57.300 3.481 -4.002 1.00 0.00 O ATOM 220 CB HIS A 16 59.626 1.451 -2.845 1.00 0.00 C ATOM 221 CG HIS A 16 60.277 0.105 -2.734 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.630 -0.981 -2.169 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.523 -0.341 -3.093 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.483 -2.019 -2.200 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.650 -1.683 -2.752 1.00 0.00 N ATOM 0 H HIS A 16 59.541 2.225 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 16 57.826 0.416 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.322 2.166 -3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.369 1.823 -1.853 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.680 -0.991 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.287 0.257 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.252 -3.005 -1.824 1.00 0.00 H new ATOM 233 N ALA A 17 56.726 2.300 -2.233 1.00 0.00 N ATOM 234 CA ALA A 17 55.776 3.334 -1.746 1.00 0.00 C ATOM 235 C ALA A 17 55.988 3.516 -0.241 1.00 0.00 C ATOM 236 O ALA A 17 56.870 2.917 0.340 1.00 0.00 O ATOM 237 CB ALA A 17 54.387 2.766 -2.029 1.00 0.00 C ATOM 0 H ALA A 17 56.790 1.470 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 17 55.911 4.303 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.629 3.475 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.276 2.592 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.263 1.824 -1.494 1.00 0.00 H new ATOM 243 N ILE A 18 55.198 4.328 0.399 1.00 0.00 N ATOM 244 CA ILE A 18 55.380 4.521 1.866 1.00 0.00 C ATOM 245 C ILE A 18 54.513 3.528 2.647 1.00 0.00 C ATOM 246 O ILE A 18 54.816 3.180 3.771 1.00 0.00 O ATOM 247 CB ILE A 18 54.936 5.957 2.143 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.707 6.915 1.229 1.00 0.00 C ATOM 249 CG2 ILE A 18 55.222 6.305 3.604 1.00 0.00 C ATOM 250 CD1 ILE A 18 57.209 6.729 1.450 1.00 0.00 C ATOM 0 H ILE A 18 54.440 4.863 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 18 56.411 4.350 2.175 1.00 0.00 H new ATOM 0 HB ILE A 18 53.868 6.051 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 18 55.455 6.722 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 18 55.422 7.946 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.906 7.329 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.674 5.623 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 18 56.290 6.211 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 18 57.759 7.410 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 18 57.453 6.943 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.487 5.701 1.217 1.00 0.00 H new ATOM 262 N ASP A 19 53.433 3.072 2.070 1.00 0.00 N ATOM 263 CA ASP A 19 52.558 2.110 2.802 1.00 0.00 C ATOM 264 C ASP A 19 51.623 1.373 1.838 1.00 0.00 C ATOM 265 O ASP A 19 50.619 0.820 2.242 1.00 0.00 O ATOM 266 CB ASP A 19 51.747 2.976 3.766 1.00 0.00 C ATOM 267 CG ASP A 19 50.817 3.893 2.968 1.00 0.00 C ATOM 268 OD1 ASP A 19 50.018 3.374 2.206 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.922 5.097 3.130 1.00 0.00 O ATOM 0 H ASP A 19 53.121 3.321 1.132 1.00 0.00 H new ATOM 0 HA ASP A 19 53.140 1.344 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.165 2.345 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 19 52.416 3.571 4.388 1.00 0.00 H new ATOM 274 N THR A 20 51.937 1.353 0.571 1.00 0.00 N ATOM 275 CA THR A 20 51.052 0.640 -0.396 1.00 0.00 C ATOM 276 C THR A 20 51.790 -0.555 -1.006 1.00 0.00 C ATOM 277 O THR A 20 52.826 -0.968 -0.522 1.00 0.00 O ATOM 278 CB THR A 20 50.710 1.671 -1.473 1.00 0.00 C ATOM 279 OG1 THR A 20 51.722 2.667 -1.515 1.00 0.00 O ATOM 280 CG2 THR A 20 49.363 2.319 -1.147 1.00 0.00 C ATOM 0 H THR A 20 52.761 1.796 0.165 1.00 0.00 H new ATOM 0 HA THR A 20 50.155 0.249 0.083 1.00 0.00 H new ATOM 0 HB THR A 20 50.649 1.178 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.504 3.326 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.118 3.054 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.588 1.553 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.422 2.812 -0.177 1.00 0.00 H new ATOM 288 N LYS A 21 51.265 -1.120 -2.060 1.00 0.00 N ATOM 289 CA LYS A 21 51.939 -2.291 -2.687 1.00 0.00 C ATOM 290 C LYS A 21 52.066 -2.098 -4.200 1.00 0.00 C ATOM 291 O LYS A 21 51.220 -2.522 -4.962 1.00 0.00 O ATOM 292 CB LYS A 21 51.032 -3.481 -2.374 1.00 0.00 C ATOM 293 CG LYS A 21 51.807 -4.784 -2.587 1.00 0.00 C ATOM 294 CD LYS A 21 51.184 -5.562 -3.748 1.00 0.00 C ATOM 295 CE LYS A 21 51.737 -6.989 -3.764 1.00 0.00 C ATOM 296 NZ LYS A 21 50.787 -7.779 -2.932 1.00 0.00 N ATOM 0 H LYS A 21 50.401 -0.822 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 21 52.950 -2.432 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.677 -3.421 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.152 -3.460 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.854 -4.567 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 21 51.785 -5.386 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.099 -5.583 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 21 51.405 -5.065 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.791 -7.380 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.746 -7.026 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 51.099 -8.770 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 50.761 -7.388 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 49.836 -7.731 -3.351 1.00 0.00 H new ATOM 310 N MET A 22 53.122 -1.473 -4.644 1.00 0.00 N ATOM 311 CA MET A 22 53.306 -1.269 -6.111 1.00 0.00 C ATOM 312 C MET A 22 54.241 -2.349 -6.667 1.00 0.00 C ATOM 313 O MET A 22 53.827 -3.462 -6.927 1.00 0.00 O ATOM 314 CB MET A 22 53.932 0.120 -6.246 1.00 0.00 C ATOM 315 CG MET A 22 52.833 1.182 -6.216 1.00 0.00 C ATOM 316 SD MET A 22 53.550 2.802 -6.591 1.00 0.00 S ATOM 317 CE MET A 22 54.931 2.714 -5.424 1.00 0.00 C ATOM 0 H MET A 22 53.865 -1.095 -4.056 1.00 0.00 H new ATOM 0 HA MET A 22 52.371 -1.339 -6.666 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.640 0.291 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.493 0.188 -7.178 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.057 0.939 -6.942 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.357 1.201 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.058 3.681 -4.937 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.723 1.954 -4.671 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.844 2.454 -5.960 1.00 0.00 H new ATOM 327 N VAL A 23 55.500 -2.042 -6.838 1.00 0.00 N ATOM 328 CA VAL A 23 56.447 -3.065 -7.358 1.00 0.00 C ATOM 329 C VAL A 23 57.032 -3.851 -6.186 1.00 0.00 C ATOM 330 O VAL A 23 57.097 -5.064 -6.202 1.00 0.00 O ATOM 331 CB VAL A 23 57.537 -2.273 -8.080 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.597 -3.234 -8.620 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.914 -1.497 -9.244 1.00 0.00 C ATOM 0 H VAL A 23 55.910 -1.129 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 23 55.970 -3.782 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 23 58.002 -1.576 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.373 -2.668 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.040 -3.789 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.134 -3.932 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.689 -0.931 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.450 -2.196 -9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.159 -0.811 -8.861 1.00 0.00 H new ATOM 343 N GLY A 24 57.439 -3.159 -5.160 1.00 0.00 N ATOM 344 CA GLY A 24 58.004 -3.843 -3.964 1.00 0.00 C ATOM 345 C GLY A 24 57.067 -3.603 -2.775 1.00 0.00 C ATOM 346 O GLY A 24 56.129 -2.837 -2.878 1.00 0.00 O ATOM 0 H GLY A 24 57.404 -2.141 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.109 -4.911 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.000 -3.459 -3.744 1.00 0.00 H new ATOM 350 N PRO A 25 57.344 -4.261 -1.679 1.00 0.00 N ATOM 351 CA PRO A 25 56.503 -4.109 -0.468 1.00 0.00 C ATOM 352 C PRO A 25 56.585 -2.674 0.058 1.00 0.00 C ATOM 353 O PRO A 25 57.624 -2.046 0.012 1.00 0.00 O ATOM 354 CB PRO A 25 57.146 -5.096 0.512 1.00 0.00 C ATOM 355 CG PRO A 25 58.337 -5.781 -0.185 1.00 0.00 C ATOM 356 CD PRO A 25 58.498 -5.184 -1.589 1.00 0.00 C ATOM 0 HA PRO A 25 55.444 -4.303 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.482 -4.574 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.417 -5.840 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.249 -5.634 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.169 -6.856 -0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.447 -4.659 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.465 -5.951 -2.362 1.00 0.00 H new ATOM 364 N ALA A 26 55.496 -2.151 0.555 1.00 0.00 N ATOM 365 CA ALA A 26 55.511 -0.757 1.085 1.00 0.00 C ATOM 366 C ALA A 26 56.794 -0.510 1.880 1.00 0.00 C ATOM 367 O ALA A 26 57.479 -1.436 2.271 1.00 0.00 O ATOM 368 CB ALA A 26 54.290 -0.673 2.000 1.00 0.00 C ATOM 0 H ALA A 26 54.597 -2.629 0.617 1.00 0.00 H new ATOM 0 HA ALA A 26 55.480 -0.010 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.228 0.326 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.388 -0.875 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.382 -1.409 2.798 1.00 0.00 H new ATOM 374 N TYR A 27 57.126 0.727 2.125 1.00 0.00 N ATOM 375 CA TYR A 27 58.365 1.019 2.899 1.00 0.00 C ATOM 376 C TYR A 27 58.083 0.870 4.397 1.00 0.00 C ATOM 377 O TYR A 27 58.763 0.145 5.101 1.00 0.00 O ATOM 378 CB TYR A 27 58.722 2.468 2.546 1.00 0.00 C ATOM 379 CG TYR A 27 59.641 2.501 1.344 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.648 1.534 1.187 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.490 3.511 0.386 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.495 1.583 0.074 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.338 3.557 -0.726 1.00 0.00 C ATOM 384 CZ TYR A 27 61.341 2.594 -0.882 1.00 0.00 C ATOM 385 OH TYR A 27 62.177 2.641 -1.978 1.00 0.00 O ATOM 0 H TYR A 27 56.596 1.545 1.824 1.00 0.00 H new ATOM 0 HA TYR A 27 59.183 0.339 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.814 3.033 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.206 2.949 3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.768 0.754 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.717 4.256 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.269 0.840 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.218 4.336 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 27 61.856 3.322 -2.605 1.00 0.00 H new ATOM 395 N LYS A 28 57.075 1.537 4.889 1.00 0.00 N ATOM 396 CA LYS A 28 56.744 1.416 6.334 1.00 0.00 C ATOM 397 C LYS A 28 56.614 -0.059 6.706 1.00 0.00 C ATOM 398 O LYS A 28 57.087 -0.499 7.735 1.00 0.00 O ATOM 399 CB LYS A 28 55.401 2.128 6.493 1.00 0.00 C ATOM 400 CG LYS A 28 55.228 2.572 7.944 1.00 0.00 C ATOM 401 CD LYS A 28 54.108 1.760 8.596 1.00 0.00 C ATOM 402 CE LYS A 28 52.837 2.610 8.669 1.00 0.00 C ATOM 403 NZ LYS A 28 52.205 2.245 9.968 1.00 0.00 N ATOM 0 H LYS A 28 56.469 2.158 4.353 1.00 0.00 H new ATOM 0 HA LYS A 28 57.510 1.849 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.354 2.991 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.588 1.461 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.160 2.432 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.992 3.635 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.919 0.853 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.407 1.447 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.071 3.674 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.171 2.398 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.326 2.787 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.988 1.228 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.859 2.465 10.746 1.00 0.00 H new ATOM 417 N ASP A 29 55.982 -0.826 5.864 1.00 0.00 N ATOM 418 CA ASP A 29 55.821 -2.278 6.150 1.00 0.00 C ATOM 419 C ASP A 29 57.196 -2.924 6.325 1.00 0.00 C ATOM 420 O ASP A 29 57.389 -3.778 7.167 1.00 0.00 O ATOM 421 CB ASP A 29 55.107 -2.851 4.925 1.00 0.00 C ATOM 422 CG ASP A 29 53.593 -2.754 5.124 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.126 -3.167 6.172 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.927 -2.267 4.225 1.00 0.00 O ATOM 0 H ASP A 29 55.569 -0.509 4.987 1.00 0.00 H new ATOM 0 HA ASP A 29 55.258 -2.464 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.402 -2.304 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.399 -3.890 4.774 1.00 0.00 H new ATOM 429 N VAL A 30 58.156 -2.517 5.539 1.00 0.00 N ATOM 430 CA VAL A 30 59.520 -3.103 5.666 1.00 0.00 C ATOM 431 C VAL A 30 60.051 -2.878 7.081 1.00 0.00 C ATOM 432 O VAL A 30 60.577 -3.774 7.712 1.00 0.00 O ATOM 433 CB VAL A 30 60.377 -2.348 4.651 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.822 -2.843 4.737 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.836 -2.594 3.241 1.00 0.00 C ATOM 0 H VAL A 30 58.054 -1.805 4.816 1.00 0.00 H new ATOM 0 HA VAL A 30 59.527 -4.177 5.483 1.00 0.00 H new ATOM 0 HB VAL A 30 60.344 -1.281 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.435 -2.305 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.208 -2.667 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.855 -3.910 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.448 -2.055 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.868 -3.661 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.806 -2.241 3.180 1.00 0.00 H new ATOM 445 N ALA A 31 59.915 -1.683 7.579 1.00 0.00 N ATOM 446 CA ALA A 31 60.409 -1.388 8.954 1.00 0.00 C ATOM 447 C ALA A 31 59.497 -2.035 9.999 1.00 0.00 C ATOM 448 O ALA A 31 59.882 -2.229 11.135 1.00 0.00 O ATOM 449 CB ALA A 31 60.360 0.134 9.076 1.00 0.00 C ATOM 0 H ALA A 31 59.483 -0.896 7.095 1.00 0.00 H new ATOM 0 HA ALA A 31 61.412 -1.781 9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.710 0.431 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 31 61.000 0.581 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.335 0.477 8.935 1.00 0.00 H new ATOM 455 N ALA A 32 58.291 -2.365 9.629 1.00 0.00 N ATOM 456 CA ALA A 32 57.362 -2.993 10.611 1.00 0.00 C ATOM 457 C ALA A 32 57.761 -4.448 10.868 1.00 0.00 C ATOM 458 O ALA A 32 57.592 -4.966 11.955 1.00 0.00 O ATOM 459 CB ALA A 32 55.981 -2.918 9.961 1.00 0.00 C ATOM 0 H ALA A 32 57.909 -2.228 8.693 1.00 0.00 H new ATOM 0 HA ALA A 32 57.383 -2.487 11.576 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.241 -3.362 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.722 -1.876 9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.993 -3.462 9.017 1.00 0.00 H new ATOM 465 N LYS A 33 58.294 -5.110 9.880 1.00 0.00 N ATOM 466 CA LYS A 33 58.707 -6.529 10.069 1.00 0.00 C ATOM 467 C LYS A 33 60.128 -6.585 10.633 1.00 0.00 C ATOM 468 O LYS A 33 60.422 -7.350 11.530 1.00 0.00 O ATOM 469 CB LYS A 33 58.656 -7.153 8.675 1.00 0.00 C ATOM 470 CG LYS A 33 59.347 -8.518 8.704 1.00 0.00 C ATOM 471 CD LYS A 33 58.449 -9.560 8.037 1.00 0.00 C ATOM 472 CE LYS A 33 58.377 -10.808 8.919 1.00 0.00 C ATOM 473 NZ LYS A 33 58.365 -11.951 7.966 1.00 0.00 N ATOM 0 H LYS A 33 58.462 -4.730 8.949 1.00 0.00 H new ATOM 0 HA LYS A 33 58.061 -7.059 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.621 -7.264 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.147 -6.500 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.305 -8.463 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.557 -8.809 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.450 -9.151 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 33 58.842 -9.818 7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 59.232 -10.865 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.481 -10.802 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.317 -12.844 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.537 -11.874 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 59.233 -11.935 7.394 1.00 0.00 H new ATOM 487 N TYR A 34 61.012 -5.774 10.117 1.00 0.00 N ATOM 488 CA TYR A 34 62.411 -5.774 10.628 1.00 0.00 C ATOM 489 C TYR A 34 62.485 -4.990 11.941 1.00 0.00 C ATOM 490 O TYR A 34 63.508 -4.945 12.594 1.00 0.00 O ATOM 491 CB TYR A 34 63.232 -5.080 9.540 1.00 0.00 C ATOM 492 CG TYR A 34 63.619 -6.083 8.479 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.704 -6.435 7.479 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.896 -6.658 8.491 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.066 -7.361 6.492 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.257 -7.584 7.504 1.00 0.00 C ATOM 497 CZ TYR A 34 64.342 -7.936 6.505 1.00 0.00 C ATOM 498 OH TYR A 34 64.700 -8.846 5.531 1.00 0.00 O ATOM 0 H TYR A 34 60.825 -5.112 9.364 1.00 0.00 H new ATOM 0 HA TYR A 34 62.780 -6.779 10.833 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.654 -4.270 9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.126 -4.632 9.975 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.719 -5.992 7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.603 -6.387 9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 34 62.360 -7.631 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.242 -8.027 7.514 1.00 0.00 H new ATOM 0 HH TYR A 34 65.620 -9.147 5.687 1.00 0.00 H new ATOM 508 N ALA A 35 61.403 -4.373 12.330 1.00 0.00 N ATOM 509 CA ALA A 35 61.403 -3.594 13.600 1.00 0.00 C ATOM 510 C ALA A 35 61.682 -4.519 14.788 1.00 0.00 C ATOM 511 O ALA A 35 60.778 -5.071 15.384 1.00 0.00 O ATOM 512 CB ALA A 35 59.997 -3.004 13.696 1.00 0.00 C ATOM 0 H ALA A 35 60.518 -4.375 11.823 1.00 0.00 H new ATOM 0 HA ALA A 35 62.172 -2.822 13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.912 -2.413 14.608 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.810 -2.367 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.264 -3.811 13.717 1.00 0.00 H new ATOM 518 N GLY A 36 62.927 -4.695 15.135 1.00 0.00 N ATOM 519 CA GLY A 36 63.265 -5.584 16.281 1.00 0.00 C ATOM 520 C GLY A 36 64.690 -6.110 16.111 1.00 0.00 C ATOM 521 O GLY A 36 65.325 -6.531 17.058 1.00 0.00 O ATOM 0 H GLY A 36 63.726 -4.261 14.673 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.177 -5.036 17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.562 -6.415 16.330 1.00 0.00 H new ATOM 525 N GLN A 37 65.199 -6.089 14.910 1.00 0.00 N ATOM 526 CA GLN A 37 66.585 -6.587 14.675 1.00 0.00 C ATOM 527 C GLN A 37 67.604 -5.607 15.266 1.00 0.00 C ATOM 528 O GLN A 37 67.366 -4.418 15.340 1.00 0.00 O ATOM 529 CB GLN A 37 66.725 -6.660 13.153 1.00 0.00 C ATOM 530 CG GLN A 37 65.776 -7.728 12.606 1.00 0.00 C ATOM 531 CD GLN A 37 66.548 -8.676 11.687 1.00 0.00 C ATOM 532 OE1 GLN A 37 66.696 -9.844 11.986 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.049 -8.220 10.572 1.00 0.00 N ATOM 0 H GLN A 37 64.715 -5.748 14.080 1.00 0.00 H new ATOM 0 HA GLN A 37 66.765 -7.553 15.146 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.495 -5.692 12.709 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.754 -6.899 12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.328 -8.286 13.428 1.00 0.00 H new ATOM 0 HG3 GLN A 37 64.960 -7.258 12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.925 -7.239 10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.565 -8.844 9.952 1.00 0.00 H new ATOM 542 N ALA A 38 68.734 -6.100 15.693 1.00 0.00 N ATOM 543 CA ALA A 38 69.765 -5.200 16.281 1.00 0.00 C ATOM 544 C ALA A 38 70.712 -4.689 15.192 1.00 0.00 C ATOM 545 O ALA A 38 71.908 -4.591 15.392 1.00 0.00 O ATOM 546 CB ALA A 38 70.518 -6.070 17.289 1.00 0.00 C ATOM 0 H ALA A 38 68.988 -7.087 15.660 1.00 0.00 H new ATOM 0 HA ALA A 38 69.326 -4.320 16.750 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.298 -5.479 17.768 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.823 -6.435 18.045 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.970 -6.917 16.773 1.00 0.00 H new ATOM 552 N GLY A 39 70.189 -4.358 14.041 1.00 0.00 N ATOM 553 CA GLY A 39 71.063 -3.851 12.945 1.00 0.00 C ATOM 554 C GLY A 39 70.455 -4.213 11.587 1.00 0.00 C ATOM 555 O GLY A 39 71.080 -4.858 10.770 1.00 0.00 O ATOM 0 H GLY A 39 69.196 -4.417 13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.175 -2.770 13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.060 -4.282 13.034 1.00 0.00 H new ATOM 559 N ALA A 40 69.240 -3.802 11.336 1.00 0.00 N ATOM 560 CA ALA A 40 68.604 -4.126 10.028 1.00 0.00 C ATOM 561 C ALA A 40 68.895 -3.026 9.005 1.00 0.00 C ATOM 562 O ALA A 40 68.802 -3.237 7.812 1.00 0.00 O ATOM 563 CB ALA A 40 67.105 -4.208 10.318 1.00 0.00 C ATOM 0 H ALA A 40 68.663 -3.258 11.978 1.00 0.00 H new ATOM 0 HA ALA A 40 68.987 -5.056 9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.569 -4.444 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.919 -4.988 11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.756 -3.251 10.706 1.00 0.00 H new ATOM 569 N GLU A 41 69.251 -1.856 9.456 1.00 0.00 N ATOM 570 CA GLU A 41 69.553 -0.755 8.497 1.00 0.00 C ATOM 571 C GLU A 41 70.894 -1.027 7.813 1.00 0.00 C ATOM 572 O GLU A 41 71.084 -0.723 6.653 1.00 0.00 O ATOM 573 CB GLU A 41 69.627 0.511 9.351 1.00 0.00 C ATOM 574 CG GLU A 41 70.135 1.673 8.496 1.00 0.00 C ATOM 575 CD GLU A 41 71.369 2.291 9.154 1.00 0.00 C ATOM 576 OE1 GLU A 41 71.288 2.622 10.326 1.00 0.00 O ATOM 577 OE2 GLU A 41 72.375 2.422 8.475 1.00 0.00 O ATOM 0 H GLU A 41 69.346 -1.614 10.442 1.00 0.00 H new ATOM 0 HA GLU A 41 68.802 -0.663 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 68.643 0.747 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.292 0.352 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.382 1.320 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 41 69.354 2.425 8.385 1.00 0.00 H new ATOM 584 N ALA A 42 71.823 -1.607 8.525 1.00 0.00 N ATOM 585 CA ALA A 42 73.150 -1.909 7.916 1.00 0.00 C ATOM 586 C ALA A 42 72.984 -2.948 6.806 1.00 0.00 C ATOM 587 O ALA A 42 73.436 -2.761 5.692 1.00 0.00 O ATOM 588 CB ALA A 42 73.992 -2.474 9.060 1.00 0.00 C ATOM 0 H ALA A 42 71.720 -1.884 9.501 1.00 0.00 H new ATOM 0 HA ALA A 42 73.615 -1.030 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.987 -2.722 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.074 -1.731 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.516 -3.373 9.453 1.00 0.00 H new ATOM 594 N TYR A 43 72.325 -4.037 7.094 1.00 0.00 N ATOM 595 CA TYR A 43 72.122 -5.074 6.046 1.00 0.00 C ATOM 596 C TYR A 43 71.186 -4.527 4.979 1.00 0.00 C ATOM 597 O TYR A 43 71.289 -4.863 3.818 1.00 0.00 O ATOM 598 CB TYR A 43 71.491 -6.263 6.777 1.00 0.00 C ATOM 599 CG TYR A 43 71.443 -7.474 5.870 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.043 -7.440 4.603 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.796 -8.638 6.305 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.995 -8.568 3.775 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.748 -9.765 5.475 1.00 0.00 C ATOM 604 CZ TYR A 43 71.347 -9.730 4.211 1.00 0.00 C ATOM 605 OH TYR A 43 71.300 -10.843 3.395 1.00 0.00 O ATOM 0 H TYR A 43 71.921 -4.252 8.005 1.00 0.00 H new ATOM 0 HA TYR A 43 73.047 -5.365 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.067 -6.494 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.484 -6.005 7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 43 72.542 -6.544 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 43 70.334 -8.666 7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.458 -8.542 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 43 70.248 -10.662 5.811 1.00 0.00 H new ATOM 0 HH TYR A 43 70.814 -11.562 3.850 1.00 0.00 H new ATOM 615 N LEU A 44 70.293 -3.661 5.357 1.00 0.00 N ATOM 616 CA LEU A 44 69.378 -3.063 4.353 1.00 0.00 C ATOM 617 C LEU A 44 70.213 -2.225 3.391 1.00 0.00 C ATOM 618 O LEU A 44 69.895 -2.079 2.230 1.00 0.00 O ATOM 619 CB LEU A 44 68.422 -2.187 5.164 1.00 0.00 C ATOM 620 CG LEU A 44 67.210 -3.019 5.588 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.494 -2.331 6.752 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.249 -3.158 4.406 1.00 0.00 C ATOM 0 H LEU A 44 70.157 -3.342 6.316 1.00 0.00 H new ATOM 0 HA LEU A 44 68.828 -3.798 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.931 -1.791 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.101 -1.332 4.569 1.00 0.00 H new ATOM 0 HG LEU A 44 67.543 -4.007 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.631 -2.926 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.179 -2.235 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.161 -1.341 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.385 -3.751 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.918 -2.169 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.758 -3.653 3.579 1.00 0.00 H new ATOM 634 N ALA A 45 71.301 -1.689 3.875 1.00 0.00 N ATOM 635 CA ALA A 45 72.183 -0.870 3.003 1.00 0.00 C ATOM 636 C ALA A 45 72.947 -1.774 2.035 1.00 0.00 C ATOM 637 O ALA A 45 73.171 -1.425 0.891 1.00 0.00 O ATOM 638 CB ALA A 45 73.148 -0.173 3.963 1.00 0.00 C ATOM 0 H ALA A 45 71.616 -1.785 4.840 1.00 0.00 H new ATOM 0 HA ALA A 45 71.624 -0.156 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.836 0.454 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.584 0.446 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.713 -0.922 4.518 1.00 0.00 H new ATOM 644 N GLN A 46 73.349 -2.936 2.479 1.00 0.00 N ATOM 645 CA GLN A 46 74.099 -3.849 1.572 1.00 0.00 C ATOM 646 C GLN A 46 73.144 -4.521 0.585 1.00 0.00 C ATOM 647 O GLN A 46 73.522 -4.883 -0.512 1.00 0.00 O ATOM 648 CB GLN A 46 74.742 -4.884 2.495 1.00 0.00 C ATOM 649 CG GLN A 46 76.125 -5.257 1.960 1.00 0.00 C ATOM 650 CD GLN A 46 76.059 -6.629 1.287 1.00 0.00 C ATOM 651 OE1 GLN A 46 75.452 -7.545 1.806 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.661 -6.813 0.144 1.00 0.00 N ATOM 0 H GLN A 46 73.191 -3.289 3.423 1.00 0.00 H new ATOM 0 HA GLN A 46 74.842 -3.320 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.827 -4.483 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.113 -5.772 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.465 -4.506 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.849 -5.274 2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.171 -6.045 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.622 -7.724 -0.312 1.00 0.00 H new ATOM 661 N ARG A 47 71.907 -4.682 0.960 1.00 0.00 N ATOM 662 CA ARG A 47 70.926 -5.319 0.041 1.00 0.00 C ATOM 663 C ARG A 47 70.301 -4.251 -0.852 1.00 0.00 C ATOM 664 O ARG A 47 69.695 -4.549 -1.862 1.00 0.00 O ATOM 665 CB ARG A 47 69.873 -5.950 0.952 1.00 0.00 C ATOM 666 CG ARG A 47 70.505 -7.103 1.731 1.00 0.00 C ATOM 667 CD ARG A 47 70.884 -8.224 0.762 1.00 0.00 C ATOM 668 NE ARG A 47 70.205 -9.437 1.298 1.00 0.00 N ATOM 669 CZ ARG A 47 70.407 -10.600 0.742 1.00 0.00 C ATOM 670 NH1 ARG A 47 71.205 -10.707 -0.286 1.00 0.00 N ATOM 671 NH2 ARG A 47 69.809 -11.659 1.218 1.00 0.00 N ATOM 0 H ARG A 47 71.532 -4.399 1.866 1.00 0.00 H new ATOM 0 HA ARG A 47 71.382 -6.063 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.478 -5.204 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.033 -6.313 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.389 -6.754 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.807 -7.476 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.551 -8.000 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.964 -8.362 0.720 1.00 0.00 H new ATOM 0 HE ARG A 47 69.581 -9.358 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.673 -9.880 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 71.361 -11.618 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 47 69.187 -11.575 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 47 69.964 -12.570 0.786 1.00 0.00 H new ATOM 685 N ILE A 48 70.455 -3.007 -0.495 1.00 0.00 N ATOM 686 CA ILE A 48 69.880 -1.921 -1.334 1.00 0.00 C ATOM 687 C ILE A 48 70.875 -1.539 -2.433 1.00 0.00 C ATOM 688 O ILE A 48 70.491 -1.165 -3.524 1.00 0.00 O ATOM 689 CB ILE A 48 69.649 -0.745 -0.382 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.393 -1.000 0.458 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.458 0.538 -1.194 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.399 -0.072 1.676 1.00 0.00 C ATOM 0 H ILE A 48 70.953 -2.696 0.339 1.00 0.00 H new ATOM 0 HA ILE A 48 68.954 -2.222 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 48 70.512 -0.640 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.500 -0.826 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.363 -2.041 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.293 1.376 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.349 0.725 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.595 0.428 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.506 -0.252 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.286 -0.268 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.409 0.966 1.343 1.00 0.00 H new ATOM 704 N LYS A 49 72.151 -1.634 -2.163 1.00 0.00 N ATOM 705 CA LYS A 49 73.150 -1.277 -3.209 1.00 0.00 C ATOM 706 C LYS A 49 73.408 -2.480 -4.122 1.00 0.00 C ATOM 707 O LYS A 49 74.039 -2.366 -5.154 1.00 0.00 O ATOM 708 CB LYS A 49 74.419 -0.900 -2.443 1.00 0.00 C ATOM 709 CG LYS A 49 75.593 -0.789 -3.419 1.00 0.00 C ATOM 710 CD LYS A 49 76.821 -0.254 -2.683 1.00 0.00 C ATOM 711 CE LYS A 49 77.266 -1.271 -1.631 1.00 0.00 C ATOM 712 NZ LYS A 49 78.702 -0.968 -1.382 1.00 0.00 N ATOM 0 H LYS A 49 72.540 -1.941 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 49 72.807 -0.461 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.274 0.047 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.634 -1.651 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.812 -1.765 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.332 -0.125 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.630 -0.068 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.587 0.699 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.679 -1.176 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.135 -2.292 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.275 -1.813 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.005 -0.190 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.831 -0.688 -0.389 1.00 0.00 H new ATOM 726 N ASN A 50 72.922 -3.633 -3.750 1.00 0.00 N ATOM 727 CA ASN A 50 73.137 -4.843 -4.595 1.00 0.00 C ATOM 728 C ASN A 50 71.793 -5.486 -4.956 1.00 0.00 C ATOM 729 O ASN A 50 71.712 -6.339 -5.818 1.00 0.00 O ATOM 730 CB ASN A 50 73.967 -5.785 -3.723 1.00 0.00 C ATOM 731 CG ASN A 50 75.450 -5.446 -3.878 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.816 -4.290 -3.954 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.325 -6.412 -3.928 1.00 0.00 N ATOM 0 H ASN A 50 72.385 -3.790 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 50 73.636 -4.609 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.668 -5.690 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.787 -6.820 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.317 -6.197 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 50 76.018 -7.382 -3.864 1.00 0.00 H new ATOM 740 N GLY A 51 70.739 -5.080 -4.301 1.00 0.00 N ATOM 741 CA GLY A 51 69.395 -5.661 -4.597 1.00 0.00 C ATOM 742 C GLY A 51 69.481 -7.191 -4.556 1.00 0.00 C ATOM 743 O GLY A 51 70.547 -7.749 -4.390 1.00 0.00 O ATOM 0 H GLY A 51 70.750 -4.368 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.665 -5.307 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.052 -5.331 -5.578 1.00 0.00 H new ATOM 747 N SER A 52 68.372 -7.879 -4.703 1.00 0.00 N ATOM 748 CA SER A 52 68.420 -9.382 -4.666 1.00 0.00 C ATOM 749 C SER A 52 67.017 -9.985 -4.515 1.00 0.00 C ATOM 750 O SER A 52 66.066 -9.299 -4.198 1.00 0.00 O ATOM 751 CB SER A 52 69.262 -9.731 -3.436 1.00 0.00 C ATOM 752 OG SER A 52 70.594 -10.016 -3.841 1.00 0.00 O ATOM 0 H SER A 52 67.447 -7.474 -4.845 1.00 0.00 H new ATOM 0 HA SER A 52 68.838 -9.781 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.255 -8.901 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.835 -10.592 -2.921 1.00 0.00 H new ATOM 0 HG SER A 52 70.939 -9.272 -4.378 1.00 0.00 H new ATOM 758 N GLN A 53 66.891 -11.275 -4.730 1.00 0.00 N ATOM 759 CA GLN A 53 65.556 -11.940 -4.592 1.00 0.00 C ATOM 760 C GLN A 53 65.483 -12.697 -3.258 1.00 0.00 C ATOM 761 O GLN A 53 66.424 -12.709 -2.488 1.00 0.00 O ATOM 762 CB GLN A 53 65.448 -12.887 -5.812 1.00 0.00 C ATOM 763 CG GLN A 53 65.477 -14.366 -5.395 1.00 0.00 C ATOM 764 CD GLN A 53 66.814 -14.682 -4.720 1.00 0.00 C ATOM 765 OE1 GLN A 53 66.851 -15.075 -3.571 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.923 -14.523 -5.392 1.00 0.00 N ATOM 0 H GLN A 53 67.656 -11.895 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 53 64.727 -11.232 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.524 -12.680 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.270 -12.688 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.654 -14.578 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.339 -15.003 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.892 -14.193 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.820 -14.729 -4.952 1.00 0.00 H new ATOM 775 N GLY A 54 64.375 -13.328 -2.983 1.00 0.00 N ATOM 776 CA GLY A 54 64.243 -14.082 -1.704 1.00 0.00 C ATOM 777 C GLY A 54 64.205 -13.089 -0.547 1.00 0.00 C ATOM 778 O GLY A 54 64.446 -13.432 0.593 1.00 0.00 O ATOM 0 H GLY A 54 63.555 -13.354 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.335 -14.685 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.080 -14.769 -1.583 1.00 0.00 H new ATOM 782 N VAL A 55 63.902 -11.857 -0.839 1.00 0.00 N ATOM 783 CA VAL A 55 63.841 -10.822 0.229 1.00 0.00 C ATOM 784 C VAL A 55 62.415 -10.735 0.773 1.00 0.00 C ATOM 785 O VAL A 55 62.142 -11.089 1.903 1.00 0.00 O ATOM 786 CB VAL A 55 64.234 -9.515 -0.467 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.694 -8.500 0.576 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.376 -9.774 -1.455 1.00 0.00 C ATOM 0 H VAL A 55 63.692 -11.520 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 55 64.497 -11.044 1.071 1.00 0.00 H new ATOM 0 HB VAL A 55 63.370 -9.125 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.974 -7.570 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.883 -8.307 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.554 -8.897 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.651 -8.841 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.239 -10.169 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.052 -10.497 -2.204 1.00 0.00 H new ATOM 798 N TRP A 56 61.503 -10.273 -0.035 1.00 0.00 N ATOM 799 CA TRP A 56 60.091 -10.163 0.403 1.00 0.00 C ATOM 800 C TRP A 56 59.218 -11.032 -0.504 1.00 0.00 C ATOM 801 O TRP A 56 58.253 -11.632 -0.074 1.00 0.00 O ATOM 802 CB TRP A 56 59.753 -8.688 0.222 1.00 0.00 C ATOM 803 CG TRP A 56 60.446 -7.883 1.276 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.685 -7.355 1.152 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.970 -7.504 2.602 1.00 0.00 C ATOM 806 NE1 TRP A 56 62.001 -6.677 2.315 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.978 -6.740 3.238 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.777 -7.746 3.309 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.809 -6.233 4.526 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.606 -7.236 4.608 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.620 -6.482 5.214 1.00 0.00 C ATOM 0 H TRP A 56 61.681 -9.964 -0.991 1.00 0.00 H new ATOM 0 HA TRP A 56 59.928 -10.494 1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.061 -8.352 -0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.675 -8.541 0.287 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.323 -7.448 0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.883 -6.190 2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.989 -8.326 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.593 -5.651 4.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.687 -7.427 5.142 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.482 -6.094 6.212 1.00 0.00 H new ATOM 822 N GLY A 57 59.564 -11.101 -1.760 1.00 0.00 N ATOM 823 CA GLY A 57 58.778 -11.929 -2.718 1.00 0.00 C ATOM 824 C GLY A 57 59.693 -12.382 -3.862 1.00 0.00 C ATOM 825 O GLY A 57 60.884 -12.143 -3.828 1.00 0.00 O ATOM 0 H GLY A 57 60.364 -10.616 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.357 -12.796 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.940 -11.354 -3.112 1.00 0.00 H new ATOM 829 N PRO A 58 59.108 -13.025 -4.845 1.00 0.00 N ATOM 830 CA PRO A 58 59.881 -13.522 -6.016 1.00 0.00 C ATOM 831 C PRO A 58 60.370 -12.371 -6.916 1.00 0.00 C ATOM 832 O PRO A 58 60.829 -12.601 -8.017 1.00 0.00 O ATOM 833 CB PRO A 58 58.841 -14.367 -6.761 1.00 0.00 C ATOM 834 CG PRO A 58 57.507 -14.305 -5.991 1.00 0.00 C ATOM 835 CD PRO A 58 57.655 -13.308 -4.835 1.00 0.00 C ATOM 0 HA PRO A 58 60.781 -14.064 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.708 -13.993 -7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.182 -15.399 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.700 -13.996 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.245 -15.291 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.064 -12.407 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.331 -13.735 -3.886 1.00 0.00 H new ATOM 843 N ILE A 59 60.277 -11.142 -6.475 1.00 0.00 N ATOM 844 CA ILE A 59 60.743 -10.011 -7.328 1.00 0.00 C ATOM 845 C ILE A 59 62.027 -9.404 -6.752 1.00 0.00 C ATOM 846 O ILE A 59 61.971 -8.457 -5.992 1.00 0.00 O ATOM 847 CB ILE A 59 59.611 -8.984 -7.283 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.268 -9.688 -7.496 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.819 -7.944 -8.386 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.143 -8.653 -7.472 1.00 0.00 C ATOM 0 H ILE A 59 59.900 -10.875 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 59 60.967 -10.333 -8.345 1.00 0.00 H new ATOM 0 HB ILE A 59 59.612 -8.490 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.270 -10.218 -8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.108 -10.433 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.012 -7.212 -8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.773 -7.439 -8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.821 -8.439 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.186 -9.152 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.138 -8.143 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.302 -7.924 -8.267 1.00 0.00 H new ATOM 862 N PRO A 60 63.148 -9.963 -7.131 1.00 0.00 N ATOM 863 CA PRO A 60 64.451 -9.462 -6.642 1.00 0.00 C ATOM 864 C PRO A 60 64.635 -7.993 -7.000 1.00 0.00 C ATOM 865 O PRO A 60 64.326 -7.568 -8.096 1.00 0.00 O ATOM 866 CB PRO A 60 65.456 -10.319 -7.412 1.00 0.00 C ATOM 867 CG PRO A 60 64.681 -11.292 -8.320 1.00 0.00 C ATOM 868 CD PRO A 60 63.179 -11.114 -8.063 1.00 0.00 C ATOM 0 HA PRO A 60 64.555 -9.528 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.113 -9.686 -8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.090 -10.872 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 60 64.911 -11.096 -9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.980 -12.320 -8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.632 -10.907 -8.983 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.734 -12.006 -7.622 1.00 0.00 H new ATOM 876 N MET A 61 65.154 -7.215 -6.098 1.00 0.00 N ATOM 877 CA MET A 61 65.373 -5.784 -6.412 1.00 0.00 C ATOM 878 C MET A 61 66.639 -5.638 -7.253 1.00 0.00 C ATOM 879 O MET A 61 67.685 -6.108 -6.854 1.00 0.00 O ATOM 880 CB MET A 61 65.571 -5.106 -5.062 1.00 0.00 C ATOM 881 CG MET A 61 65.875 -3.626 -5.284 1.00 0.00 C ATOM 882 SD MET A 61 67.550 -3.259 -4.709 1.00 0.00 S ATOM 883 CE MET A 61 67.152 -3.138 -2.948 1.00 0.00 C ATOM 0 H MET A 61 65.434 -7.507 -5.162 1.00 0.00 H new ATOM 0 HA MET A 61 64.544 -5.349 -6.971 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.676 -5.218 -4.450 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.389 -5.580 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.780 -3.379 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.152 -3.011 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.168 -2.092 -2.642 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.160 -3.553 -2.770 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.888 -3.696 -2.369 1.00 0.00 H new ATOM 893 N PRO A 62 66.525 -4.984 -8.381 1.00 0.00 N ATOM 894 CA PRO A 62 67.706 -4.775 -9.243 1.00 0.00 C ATOM 895 C PRO A 62 68.721 -3.910 -8.488 1.00 0.00 C ATOM 896 O PRO A 62 68.371 -2.854 -7.999 1.00 0.00 O ATOM 897 CB PRO A 62 67.121 -4.017 -10.439 1.00 0.00 C ATOM 898 CG PRO A 62 65.611 -3.813 -10.206 1.00 0.00 C ATOM 899 CD PRO A 62 65.234 -4.433 -8.854 1.00 0.00 C ATOM 0 HA PRO A 62 68.223 -5.688 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.618 -3.054 -10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.289 -4.576 -11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.367 -2.751 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 62 65.039 -4.279 -11.008 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.833 -3.690 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.477 -5.209 -8.961 1.00 0.00 H new ATOM 907 N PRO A 63 69.942 -4.370 -8.402 1.00 0.00 N ATOM 908 CA PRO A 63 70.978 -3.599 -7.681 1.00 0.00 C ATOM 909 C PRO A 63 71.074 -2.186 -8.255 1.00 0.00 C ATOM 910 O PRO A 63 71.105 -1.991 -9.453 1.00 0.00 O ATOM 911 CB PRO A 63 72.246 -4.410 -7.942 1.00 0.00 C ATOM 912 CG PRO A 63 71.880 -5.633 -8.807 1.00 0.00 C ATOM 913 CD PRO A 63 70.358 -5.652 -9.013 1.00 0.00 C ATOM 0 HA PRO A 63 70.780 -3.468 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.989 -3.796 -8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.689 -4.732 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.391 -5.582 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.207 -6.552 -8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 63 70.091 -5.705 -10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.892 -6.507 -8.523 1.00 0.00 H new ATOM 921 N ASN A 64 71.099 -1.200 -7.405 1.00 0.00 N ATOM 922 CA ASN A 64 71.166 0.206 -7.891 1.00 0.00 C ATOM 923 C ASN A 64 72.583 0.761 -7.757 1.00 0.00 C ATOM 924 O ASN A 64 73.429 0.186 -7.101 1.00 0.00 O ATOM 925 CB ASN A 64 70.199 0.966 -6.985 1.00 0.00 C ATOM 926 CG ASN A 64 68.819 0.310 -7.067 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.599 -0.799 -6.413 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.935 0.809 -7.734 1.00 0.00 N flip ATOM 0 H ASN A 64 71.076 -1.307 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 64 70.905 0.293 -8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.560 0.956 -5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.138 2.010 -7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.108 1.675 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.020 0.362 -7.784 1.00 0.00 H new ATOM 935 N ALA A 65 72.846 1.879 -8.375 1.00 0.00 N ATOM 936 CA ALA A 65 74.205 2.479 -8.285 1.00 0.00 C ATOM 937 C ALA A 65 74.277 3.424 -7.088 1.00 0.00 C ATOM 938 O ALA A 65 75.003 4.398 -7.090 1.00 0.00 O ATOM 939 CB ALA A 65 74.389 3.249 -9.592 1.00 0.00 C ATOM 0 H ALA A 65 72.177 2.403 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 65 74.983 1.728 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.371 3.721 -9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.309 2.561 -10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.618 4.015 -9.675 1.00 0.00 H new ATOM 945 N VAL A 66 73.529 3.138 -6.061 1.00 0.00 N ATOM 946 CA VAL A 66 73.551 4.010 -4.856 1.00 0.00 C ATOM 947 C VAL A 66 74.825 3.746 -4.053 1.00 0.00 C ATOM 948 O VAL A 66 75.016 2.674 -3.513 1.00 0.00 O ATOM 949 CB VAL A 66 72.315 3.612 -4.050 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.052 4.037 -4.802 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.300 2.095 -3.852 1.00 0.00 C ATOM 0 H VAL A 66 72.902 2.336 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 66 73.541 5.070 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 66 72.344 4.107 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.172 3.752 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.059 5.118 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.024 3.544 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.418 1.812 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.274 1.602 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.197 1.789 -3.314 1.00 0.00 H new ATOM 961 N SER A 67 75.699 4.711 -3.971 1.00 0.00 N ATOM 962 CA SER A 67 76.958 4.506 -3.202 1.00 0.00 C ATOM 963 C SER A 67 76.631 3.968 -1.807 1.00 0.00 C ATOM 964 O SER A 67 75.491 3.703 -1.489 1.00 0.00 O ATOM 965 CB SER A 67 77.598 5.890 -3.111 1.00 0.00 C ATOM 966 OG SER A 67 78.634 5.992 -4.078 1.00 0.00 O ATOM 0 H SER A 67 75.596 5.630 -4.402 1.00 0.00 H new ATOM 0 HA SER A 67 77.624 3.785 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.848 6.662 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.001 6.052 -2.111 1.00 0.00 H new ATOM 0 HG SER A 67 79.046 6.880 -4.024 1.00 0.00 H new ATOM 972 N ASP A 68 77.616 3.805 -0.971 1.00 0.00 N ATOM 973 CA ASP A 68 77.340 3.285 0.397 1.00 0.00 C ATOM 974 C ASP A 68 76.574 4.330 1.212 1.00 0.00 C ATOM 975 O ASP A 68 75.465 4.098 1.650 1.00 0.00 O ATOM 976 CB ASP A 68 78.716 3.021 1.009 1.00 0.00 C ATOM 977 CG ASP A 68 79.058 1.537 0.872 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.158 0.726 1.014 1.00 0.00 O ATOM 979 OD2 ASP A 68 80.214 1.236 0.627 1.00 0.00 O ATOM 0 H ASP A 68 78.595 4.008 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 68 76.727 2.384 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.471 3.627 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.720 3.311 2.060 1.00 0.00 H new ATOM 984 N ASP A 69 77.153 5.481 1.416 1.00 0.00 N ATOM 985 CA ASP A 69 76.451 6.536 2.198 1.00 0.00 C ATOM 986 C ASP A 69 75.058 6.783 1.613 1.00 0.00 C ATOM 987 O ASP A 69 74.123 7.103 2.321 1.00 0.00 O ATOM 988 CB ASP A 69 77.324 7.783 2.055 1.00 0.00 C ATOM 989 CG ASP A 69 77.033 8.744 3.208 1.00 0.00 C ATOM 990 OD1 ASP A 69 75.969 9.340 3.203 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.881 8.869 4.076 1.00 0.00 O ATOM 0 H ASP A 69 78.080 5.736 1.076 1.00 0.00 H new ATOM 0 HA ASP A 69 76.313 6.256 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.378 7.504 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.125 8.272 1.101 1.00 0.00 H new ATOM 996 N GLU A 70 74.911 6.637 0.323 1.00 0.00 N ATOM 997 CA GLU A 70 73.578 6.865 -0.306 1.00 0.00 C ATOM 998 C GLU A 70 72.597 5.766 0.113 1.00 0.00 C ATOM 999 O GLU A 70 71.492 6.038 0.537 1.00 0.00 O ATOM 1000 CB GLU A 70 73.833 6.818 -1.813 1.00 0.00 C ATOM 1001 CG GLU A 70 74.276 8.200 -2.300 1.00 0.00 C ATOM 1002 CD GLU A 70 74.813 8.094 -3.729 1.00 0.00 C ATOM 1003 OE1 GLU A 70 74.219 7.369 -4.511 1.00 0.00 O ATOM 1004 OE2 GLU A 70 75.806 8.740 -4.017 1.00 0.00 O ATOM 0 H GLU A 70 75.655 6.370 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 70 73.136 7.813 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.600 6.078 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.928 6.509 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.437 8.894 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.046 8.599 -1.640 1.00 0.00 H new ATOM 1011 N ALA A 71 72.996 4.531 0.008 1.00 0.00 N ATOM 1012 CA ALA A 71 72.086 3.420 0.412 1.00 0.00 C ATOM 1013 C ALA A 71 71.880 3.463 1.925 1.00 0.00 C ATOM 1014 O ALA A 71 70.946 2.893 2.453 1.00 0.00 O ATOM 1015 CB ALA A 71 72.807 2.138 -0.001 1.00 0.00 C ATOM 0 H ALA A 71 73.910 4.241 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 71 71.103 3.489 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.196 1.275 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.975 2.146 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.765 2.077 0.515 1.00 0.00 H new ATOM 1021 N GLN A 72 72.738 4.155 2.624 1.00 0.00 N ATOM 1022 CA GLN A 72 72.582 4.257 4.099 1.00 0.00 C ATOM 1023 C GLN A 72 71.427 5.206 4.395 1.00 0.00 C ATOM 1024 O GLN A 72 70.603 4.960 5.252 1.00 0.00 O ATOM 1025 CB GLN A 72 73.905 4.832 4.608 1.00 0.00 C ATOM 1026 CG GLN A 72 74.923 3.702 4.767 1.00 0.00 C ATOM 1027 CD GLN A 72 76.008 4.125 5.759 1.00 0.00 C ATOM 1028 OE1 GLN A 72 76.226 5.395 5.968 1.00 0.00 O flip ATOM 1029 NE2 GLN A 72 76.664 3.292 6.351 1.00 0.00 N flip ATOM 0 H GLN A 72 73.539 4.653 2.236 1.00 0.00 H new ATOM 0 HA GLN A 72 72.364 3.302 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.282 5.580 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.752 5.335 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.426 2.798 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.371 3.464 3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.494 2.299 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.385 3.585 7.011 1.00 0.00 H new ATOM 1038 N THR A 73 71.352 6.279 3.660 1.00 0.00 N ATOM 1039 CA THR A 73 70.237 7.239 3.859 1.00 0.00 C ATOM 1040 C THR A 73 68.973 6.654 3.232 1.00 0.00 C ATOM 1041 O THR A 73 67.865 6.986 3.603 1.00 0.00 O ATOM 1042 CB THR A 73 70.665 8.516 3.134 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.920 8.948 3.642 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.618 9.606 3.361 1.00 0.00 C ATOM 0 H THR A 73 72.017 6.531 2.929 1.00 0.00 H new ATOM 0 HA THR A 73 70.027 7.440 4.910 1.00 0.00 H new ATOM 0 HB THR A 73 70.754 8.317 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.639 8.431 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.923 10.516 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.656 9.273 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.528 9.807 4.428 1.00 0.00 H new ATOM 1052 N LEU A 74 69.141 5.765 2.289 1.00 0.00 N ATOM 1053 CA LEU A 74 67.961 5.131 1.642 1.00 0.00 C ATOM 1054 C LEU A 74 67.367 4.089 2.591 1.00 0.00 C ATOM 1055 O LEU A 74 66.168 3.902 2.656 1.00 0.00 O ATOM 1056 CB LEU A 74 68.509 4.470 0.374 1.00 0.00 C ATOM 1057 CG LEU A 74 68.833 5.550 -0.661 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.407 4.900 -1.921 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.554 6.307 -1.022 1.00 0.00 C ATOM 0 H LEU A 74 70.047 5.452 1.940 1.00 0.00 H new ATOM 0 HA LEU A 74 67.170 5.843 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.405 3.894 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.777 3.771 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 74 69.565 6.242 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.637 5.671 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.318 4.357 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.676 4.207 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.783 7.077 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.825 5.612 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.142 6.773 -0.127 1.00 0.00 H new ATOM 1071 N ALA A 75 68.203 3.423 3.342 1.00 0.00 N ATOM 1072 CA ALA A 75 67.697 2.405 4.304 1.00 0.00 C ATOM 1073 C ALA A 75 67.040 3.118 5.487 1.00 0.00 C ATOM 1074 O ALA A 75 65.934 2.802 5.881 1.00 0.00 O ATOM 1075 CB ALA A 75 68.937 1.632 4.759 1.00 0.00 C ATOM 0 H ALA A 75 69.216 3.541 3.330 1.00 0.00 H new ATOM 0 HA ALA A 75 66.953 1.740 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.644 0.861 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.412 1.166 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.639 2.317 5.234 1.00 0.00 H new ATOM 1081 N LYS A 76 67.705 4.093 6.044 1.00 0.00 N ATOM 1082 CA LYS A 76 67.107 4.838 7.184 1.00 0.00 C ATOM 1083 C LYS A 76 65.882 5.605 6.691 1.00 0.00 C ATOM 1084 O LYS A 76 64.957 5.867 7.435 1.00 0.00 O ATOM 1085 CB LYS A 76 68.199 5.798 7.655 1.00 0.00 C ATOM 1086 CG LYS A 76 68.557 6.760 6.523 1.00 0.00 C ATOM 1087 CD LYS A 76 67.656 7.995 6.594 1.00 0.00 C ATOM 1088 CE LYS A 76 68.426 9.150 7.239 1.00 0.00 C ATOM 1089 NZ LYS A 76 67.408 9.907 8.022 1.00 0.00 N ATOM 0 H LYS A 76 68.634 4.404 5.759 1.00 0.00 H new ATOM 0 HA LYS A 76 66.781 4.185 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 76 67.856 6.356 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 76 69.082 5.238 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.603 7.056 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 76 68.437 6.265 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 76 67.327 8.277 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 76 66.760 7.772 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 76 69.224 8.781 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 76 68.893 9.783 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 67.863 10.715 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 66.665 10.253 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 66.985 9.282 8.738 1.00 0.00 H new ATOM 1103 N TRP A 77 65.862 5.952 5.430 1.00 0.00 N ATOM 1104 CA TRP A 77 64.689 6.684 4.879 1.00 0.00 C ATOM 1105 C TRP A 77 63.469 5.764 4.886 1.00 0.00 C ATOM 1106 O TRP A 77 62.374 6.167 5.225 1.00 0.00 O ATOM 1107 CB TRP A 77 65.076 7.050 3.446 1.00 0.00 C ATOM 1108 CG TRP A 77 63.884 7.623 2.746 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.258 8.770 3.093 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.164 7.094 1.595 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.201 8.982 2.224 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.102 7.976 1.285 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.329 5.949 0.797 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.234 7.730 0.222 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.456 5.697 -0.275 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.410 6.587 -0.561 1.00 0.00 C ATOM 0 H TRP A 77 66.607 5.759 4.761 1.00 0.00 H new ATOM 0 HA TRP A 77 64.437 7.570 5.462 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.892 7.772 3.450 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.434 6.167 2.916 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.537 9.415 3.913 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.572 9.784 2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.132 5.258 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.431 8.419 0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.591 4.814 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.742 6.389 -1.386 1.00 0.00 H new ATOM 1127 N ILE A 78 63.655 4.523 4.525 1.00 0.00 N ATOM 1128 CA ILE A 78 62.510 3.570 4.523 1.00 0.00 C ATOM 1129 C ILE A 78 61.960 3.429 5.943 1.00 0.00 C ATOM 1130 O ILE A 78 60.776 3.559 6.179 1.00 0.00 O ATOM 1131 CB ILE A 78 63.091 2.238 4.043 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.614 2.380 2.609 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.000 1.167 4.081 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.813 1.452 2.409 1.00 0.00 C ATOM 0 H ILE A 78 64.549 4.129 4.232 1.00 0.00 H new ATOM 0 HA ILE A 78 61.693 3.905 3.884 1.00 0.00 H new ATOM 0 HB ILE A 78 63.914 1.950 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.826 2.133 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.904 3.413 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.411 0.217 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.633 1.058 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.178 1.462 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.185 1.553 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.602 1.721 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.508 0.420 2.583 1.00 0.00 H new ATOM 1146 N LEU A 79 62.817 3.171 6.895 1.00 0.00 N ATOM 1147 CA LEU A 79 62.348 3.030 8.303 1.00 0.00 C ATOM 1148 C LEU A 79 61.725 4.343 8.776 1.00 0.00 C ATOM 1149 O LEU A 79 60.896 4.367 9.664 1.00 0.00 O ATOM 1150 CB LEU A 79 63.608 2.715 9.109 1.00 0.00 C ATOM 1151 CG LEU A 79 64.062 1.286 8.809 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.568 1.276 8.541 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.752 0.391 10.011 1.00 0.00 C ATOM 0 H LEU A 79 63.821 3.052 6.758 1.00 0.00 H new ATOM 0 HA LEU A 79 61.590 2.255 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.400 3.420 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.409 2.828 10.175 1.00 0.00 H new ATOM 0 HG LEU A 79 63.534 0.913 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.893 0.258 8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.790 1.915 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 79 66.096 1.648 9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 79 64.075 -0.628 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.281 0.764 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.679 0.399 10.203 1.00 0.00 H new ATOM 1165 N SER A 80 62.122 5.439 8.188 1.00 0.00 N ATOM 1166 CA SER A 80 61.558 6.755 8.598 1.00 0.00 C ATOM 1167 C SER A 80 60.088 6.853 8.181 1.00 0.00 C ATOM 1168 O SER A 80 59.281 7.462 8.856 1.00 0.00 O ATOM 1169 CB SER A 80 62.397 7.793 7.852 1.00 0.00 C ATOM 1170 OG SER A 80 62.885 8.754 8.777 1.00 0.00 O ATOM 0 H SER A 80 62.814 5.479 7.440 1.00 0.00 H new ATOM 0 HA SER A 80 61.592 6.902 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.229 7.307 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 80 61.795 8.282 7.086 1.00 0.00 H new ATOM 0 HG SER A 80 63.425 9.420 8.302 1.00 0.00 H new ATOM 1176 N GLN A 81 59.733 6.259 7.074 1.00 0.00 N ATOM 1177 CA GLN A 81 58.315 6.321 6.616 1.00 0.00 C ATOM 1178 C GLN A 81 57.373 5.855 7.729 1.00 0.00 C ATOM 1179 O GLN A 81 57.111 4.677 7.881 1.00 0.00 O ATOM 1180 CB GLN A 81 58.241 5.370 5.419 1.00 0.00 C ATOM 1181 CG GLN A 81 59.302 5.752 4.381 1.00 0.00 C ATOM 1182 CD GLN A 81 59.322 7.270 4.190 1.00 0.00 C ATOM 1183 OE1 GLN A 81 58.297 7.919 4.277 1.00 0.00 O ATOM 1184 NE2 GLN A 81 60.453 7.869 3.933 1.00 0.00 N ATOM 0 H GLN A 81 60.363 5.734 6.467 1.00 0.00 H new ATOM 0 HA GLN A 81 58.014 7.335 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.397 4.343 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.249 5.413 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 81 60.283 5.405 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 81 59.088 5.260 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 81 61.313 7.325 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.477 8.881 3.805 1.00 0.00 H new ATOM 1193 N LYS A 82 56.858 6.767 8.507 1.00 0.00 N ATOM 1194 CA LYS A 82 55.929 6.373 9.604 1.00 0.00 C ATOM 1195 C LYS A 82 56.468 5.143 10.342 1.00 0.00 C ATOM 1196 O LYS A 82 55.684 4.248 10.612 1.00 0.00 O ATOM 1197 CB LYS A 82 54.610 6.043 8.903 1.00 0.00 C ATOM 1198 CG LYS A 82 53.502 6.951 9.440 1.00 0.00 C ATOM 1199 CD LYS A 82 52.169 6.201 9.413 1.00 0.00 C ATOM 1200 CE LYS A 82 51.050 7.126 9.895 1.00 0.00 C ATOM 1201 NZ LYS A 82 49.852 6.247 10.011 1.00 0.00 N ATOM 1202 OXT LYS A 82 57.655 5.119 10.624 1.00 0.00 O ATOM 0 H LYS A 82 57.040 7.768 8.431 1.00 0.00 H new ATOM 0 HA LYS A 82 55.811 7.161 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 54.715 6.178 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 82 54.350 4.998 9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 82 53.735 7.264 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 82 53.434 7.856 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 82 51.957 5.853 8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 82 52.224 5.318 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 82 51.300 7.583 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 82 50.877 7.939 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 49.040 6.809 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 49.635 5.832 9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 50.044 5.487 10.694 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.876 -1.533 -3.868 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.327 -4.198 -1.896 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.232 0.162 -1.231 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.633 1.008 -5.921 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.324 -3.125 -6.424 1.00 0.00 C HETATM 1222 NA HEM A 83 64.237 -1.942 -1.997 1.00 0.00 N HETATM 1223 C1A HEM A 83 64.073 -3.160 -1.388 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.758 -3.217 -0.129 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.144 -1.946 0.148 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.836 -1.154 -1.030 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.772 -1.459 1.444 1.00 0.00 C HETATM 1228 CAA HEM A 83 65.212 -4.515 0.529 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.642 -5.529 -0.539 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.734 -6.440 0.026 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.429 -7.059 -0.765 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.860 -6.504 1.238 1.00 0.00 O HETATM 1233 NB HEM A 83 64.732 0.194 -3.625 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.207 0.782 -2.467 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.785 2.080 -2.748 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.671 2.254 -4.079 1.00 0.00 C HETATM 1237 C4B HEM A 83 65.002 1.113 -4.602 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.374 3.058 -1.749 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.131 3.396 -4.966 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.593 3.244 -5.382 1.00 0.00 C HETATM 1241 NC HEM A 83 63.584 -1.158 -5.766 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.981 -0.055 -6.475 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.547 -0.116 -7.851 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.831 -1.248 -7.966 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.902 -1.911 -6.688 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.823 0.899 -8.948 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.868 -1.635 -9.090 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.611 -1.857 -10.407 1.00 0.00 C HETATM 1249 ND HEM A 83 62.979 -3.263 -4.093 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.346 -3.756 -5.208 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.694 -5.013 -4.938 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.927 -5.300 -3.644 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.777 -4.239 -3.147 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.878 -5.843 -5.916 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.277 -6.423 -2.847 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.322 -7.395 -2.297 1.00 0.00 C HETATM 1257 CGD HEM A 83 62.725 -8.386 -3.390 1.00 0.00 C HETATM 1258 O1D HEM A 83 61.895 -9.199 -3.762 1.00 0.00 O HETATM 1259 O2D HEM A 83 63.858 -8.313 -3.839 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.431 -0.617 1.235 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.348 -2.267 1.895 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.988 -1.144 2.132 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.160 3.640 -2.230 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.793 2.509 -0.906 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.592 3.729 -1.392 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.861 0.392 -9.912 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 64.778 1.389 -8.758 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 63.029 1.645 -8.961 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.403 -5.185 -6.644 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.112 -6.396 -5.373 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 61.533 -6.544 -6.433 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.058 3.994 -6.022 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.171 2.386 -5.039 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 62.059 -2.139 -11.303 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.693 -1.733 -10.450 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 66.011 -5.007 -1.422 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.785 -6.124 -0.855 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 64.402 -4.930 1.129 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 66.042 -4.316 1.207 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 61.919 -7.930 -1.437 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 63.197 -6.846 -1.949 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.575 -6.963 -3.482 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 60.702 -6.001 -2.023 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.162 -5.051 -1.254 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.577 0.730 -0.379 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.879 1.834 -6.572 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.813 -3.622 -7.235 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.494 4.226 -5.270 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.790 -1.739 -8.967 1.00 0.00 H new