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= -7.35! C(o=-9!,f=-18!) USER MOD Set 1.2: A 27 TYR OH : rot -122:sc= -1.62 USER MOD Single : A 1 GLU N :NH3+ 176:sc= 0 (180deg=-0.00979) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.79! C(o=-6.8!,f=-7.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -126:sc= -0.121 (180deg=-1.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -6.04! USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.194 (180deg=-1.19!) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.874 (180deg=-3.41!) 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 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0.32 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0.0763 (180deg=0.049) USER MOD Single : A 50 ASN : amide:sc= -0.679 X(o=-0.68,f=-0.78) USER MOD Single : A 52 SER OG : rot 107:sc= -0.1 USER MOD Single : A 53 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.0047) USER MOD Single : A 61 MET CE :methyl -137:sc= -7.64! (180deg=-11!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.4 F(o=-3.1!,f=-1.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -53:sc= 1.26 USER MOD Single : A 81 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.1!) USER MOD Single : A 82 LYS NZ :NH3+ -123:sc= -0.0762 (180deg=-0.507) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -20.6! (180deg=-22.2!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -10.9! (180deg=-10.9!) USER MOD Single : A 83 HEM CMC :methyl 150:sc= -1.1 (180deg=-1.1) USER MOD Single : A 83 HEM CMD :methyl 150:sc= -3.4! (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 66.912 18.922 1.302 1.00 0.00 N ATOM 2 CA GLU A 1 67.854 17.789 1.074 1.00 0.00 C ATOM 3 C GLU A 1 67.402 16.558 1.867 1.00 0.00 C ATOM 4 O GLU A 1 68.198 15.883 2.488 1.00 0.00 O ATOM 5 CB GLU A 1 69.205 18.292 1.585 1.00 0.00 C ATOM 6 CG GLU A 1 70.328 17.689 0.740 1.00 0.00 C ATOM 7 CD GLU A 1 71.602 17.591 1.582 1.00 0.00 C ATOM 8 OE1 GLU A 1 72.316 18.576 1.657 1.00 0.00 O ATOM 9 OE2 GLU A 1 71.839 16.531 2.137 1.00 0.00 O ATOM 0 H1 GLU A 1 67.265 19.770 0.814 1.00 0.00 H new ATOM 0 H2 GLU A 1 65.973 18.673 0.929 1.00 0.00 H new ATOM 0 H3 GLU A 1 66.840 19.114 2.322 1.00 0.00 H new ATOM 0 HA GLU A 1 67.899 17.491 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 1 69.242 19.380 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 1 69.335 18.017 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 1 70.038 16.701 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 1 70.507 18.306 -0.140 1.00 0.00 H new ATOM 18 N ASP A 2 66.132 16.262 1.846 1.00 0.00 N ATOM 19 CA ASP A 2 65.631 15.074 2.597 1.00 0.00 C ATOM 20 C ASP A 2 65.977 13.787 1.838 1.00 0.00 C ATOM 21 O ASP A 2 66.178 13.816 0.640 1.00 0.00 O ATOM 22 CB ASP A 2 64.115 15.260 2.670 1.00 0.00 C ATOM 23 CG ASP A 2 63.669 15.263 4.133 1.00 0.00 C ATOM 24 OD1 ASP A 2 64.090 16.149 4.858 1.00 0.00 O ATOM 25 OD2 ASP A 2 62.913 14.381 4.503 1.00 0.00 O ATOM 0 H ASP A 2 65.419 16.790 1.342 1.00 0.00 H new ATOM 0 HA ASP A 2 66.079 14.992 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 2 63.830 16.196 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 2 63.613 14.458 2.128 1.00 0.00 H new ATOM 30 N PRO A 3 66.032 12.693 2.558 1.00 0.00 N ATOM 31 CA PRO A 3 66.354 11.389 1.934 1.00 0.00 C ATOM 32 C PRO A 3 65.303 11.036 0.880 1.00 0.00 C ATOM 33 O PRO A 3 65.506 10.170 0.052 1.00 0.00 O ATOM 34 CB PRO A 3 66.306 10.422 3.122 1.00 0.00 C ATOM 35 CG PRO A 3 65.953 11.220 4.394 1.00 0.00 C ATOM 36 CD PRO A 3 65.777 12.698 4.018 1.00 0.00 C ATOM 0 HA PRO A 3 67.312 11.370 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.564 9.643 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.268 9.924 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.037 10.833 4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.742 11.111 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 3 64.776 13.060 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.481 13.338 4.550 1.00 0.00 H new ATOM 44 N GLU A 4 64.184 11.709 0.894 1.00 0.00 N ATOM 45 CA GLU A 4 63.130 11.420 -0.118 1.00 0.00 C ATOM 46 C GLU A 4 63.527 12.050 -1.453 1.00 0.00 C ATOM 47 O GLU A 4 63.237 11.528 -2.511 1.00 0.00 O ATOM 48 CB GLU A 4 61.859 12.069 0.429 1.00 0.00 C ATOM 49 CG GLU A 4 60.634 11.322 -0.102 1.00 0.00 C ATOM 50 CD GLU A 4 59.599 12.330 -0.603 1.00 0.00 C ATOM 51 OE1 GLU A 4 58.805 12.786 0.204 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.617 12.630 -1.785 1.00 0.00 O ATOM 0 H GLU A 4 63.955 12.445 1.562 1.00 0.00 H new ATOM 0 HA GLU A 4 62.989 10.353 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.867 12.047 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.816 13.117 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.926 10.652 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.203 10.703 0.685 1.00 0.00 H new ATOM 59 N VAL A 5 64.200 13.170 -1.407 1.00 0.00 N ATOM 60 CA VAL A 5 64.627 13.832 -2.670 1.00 0.00 C ATOM 61 C VAL A 5 65.656 12.958 -3.383 1.00 0.00 C ATOM 62 O VAL A 5 65.544 12.682 -4.563 1.00 0.00 O ATOM 63 CB VAL A 5 65.253 15.159 -2.236 1.00 0.00 C ATOM 64 CG1 VAL A 5 65.974 15.796 -3.426 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.153 16.102 -1.744 1.00 0.00 C ATOM 0 H VAL A 5 64.471 13.652 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 5 63.799 13.988 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 5 65.967 14.979 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.420 16.741 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.756 15.124 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.260 15.977 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.597 17.048 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.441 16.282 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.637 15.649 -0.898 1.00 0.00 H new ATOM 75 N LEU A 6 66.650 12.505 -2.671 1.00 0.00 N ATOM 76 CA LEU A 6 67.676 11.632 -3.306 1.00 0.00 C ATOM 77 C LEU A 6 67.049 10.279 -3.642 1.00 0.00 C ATOM 78 O LEU A 6 67.421 9.630 -4.599 1.00 0.00 O ATOM 79 CB LEU A 6 68.785 11.481 -2.262 1.00 0.00 C ATOM 80 CG LEU A 6 68.315 10.559 -1.137 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.512 9.101 -1.557 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.135 10.840 0.124 1.00 0.00 C ATOM 0 H LEU A 6 66.796 12.701 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 6 68.067 12.047 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.682 11.073 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.051 12.457 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 6 67.259 10.739 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.177 8.443 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.932 8.900 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.568 8.920 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.802 10.184 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.190 10.657 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 6 68.998 11.879 0.423 1.00 0.00 H new ATOM 94 N ALA A 7 66.087 9.858 -2.867 1.00 0.00 N ATOM 95 CA ALA A 7 65.422 8.555 -3.147 1.00 0.00 C ATOM 96 C ALA A 7 64.825 8.577 -4.555 1.00 0.00 C ATOM 97 O ALA A 7 65.123 7.738 -5.380 1.00 0.00 O ATOM 98 CB ALA A 7 64.316 8.436 -2.097 1.00 0.00 C ATOM 0 H ALA A 7 65.733 10.360 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 7 66.113 7.714 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.779 7.498 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.757 8.455 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.623 9.270 -2.203 1.00 0.00 H new ATOM 104 N LYS A 8 63.993 9.542 -4.838 1.00 0.00 N ATOM 105 CA LYS A 8 63.386 9.625 -6.196 1.00 0.00 C ATOM 106 C LYS A 8 64.489 9.698 -7.254 1.00 0.00 C ATOM 107 O LYS A 8 64.430 9.042 -8.274 1.00 0.00 O ATOM 108 CB LYS A 8 62.567 10.915 -6.186 1.00 0.00 C ATOM 109 CG LYS A 8 61.192 10.655 -6.804 1.00 0.00 C ATOM 110 CD LYS A 8 61.098 11.357 -8.159 1.00 0.00 C ATOM 111 CE LYS A 8 60.782 12.840 -7.947 1.00 0.00 C ATOM 112 NZ LYS A 8 60.304 13.328 -9.272 1.00 0.00 N ATOM 0 H LYS A 8 63.708 10.275 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 8 62.771 8.757 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.455 11.278 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.087 11.692 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.034 9.584 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.409 11.019 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 8 62.037 11.249 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.322 10.893 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.020 12.975 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 8 61.665 13.389 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 60.068 14.339 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 61.052 13.193 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.458 12.793 -9.555 1.00 0.00 H new ATOM 126 N ASN A 9 65.498 10.492 -7.016 1.00 0.00 N ATOM 127 CA ASN A 9 66.607 10.607 -8.008 1.00 0.00 C ATOM 128 C ASN A 9 67.189 9.225 -8.314 1.00 0.00 C ATOM 129 O ASN A 9 67.679 8.974 -9.397 1.00 0.00 O ATOM 130 CB ASN A 9 67.656 11.496 -7.337 1.00 0.00 C ATOM 131 CG ASN A 9 66.982 12.735 -6.740 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.550 13.401 -5.898 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.787 13.074 -7.141 1.00 0.00 N ATOM 0 H ASN A 9 65.603 11.065 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 9 66.268 11.026 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.171 10.939 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.410 11.796 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.331 13.897 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.309 12.516 -7.848 1.00 0.00 H new ATOM 140 N LYS A 10 67.136 8.323 -7.371 1.00 0.00 N ATOM 141 CA LYS A 10 67.685 6.959 -7.612 1.00 0.00 C ATOM 142 C LYS A 10 66.588 6.046 -8.165 1.00 0.00 C ATOM 143 O LYS A 10 66.861 5.048 -8.802 1.00 0.00 O ATOM 144 CB LYS A 10 68.150 6.471 -6.240 1.00 0.00 C ATOM 145 CG LYS A 10 69.052 7.527 -5.599 1.00 0.00 C ATOM 146 CD LYS A 10 70.476 7.371 -6.130 1.00 0.00 C ATOM 147 CE LYS A 10 71.467 7.923 -5.103 1.00 0.00 C ATOM 148 NZ LYS A 10 71.748 9.314 -5.555 1.00 0.00 N ATOM 0 H LYS A 10 66.736 8.472 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 10 68.498 6.959 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.289 6.277 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.690 5.530 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.676 8.526 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.043 7.418 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.689 6.320 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.583 7.902 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.043 7.911 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.378 7.326 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 72.421 9.762 -4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.156 9.292 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.863 9.860 -5.569 1.00 0.00 H new ATOM 162 N GLY A 11 65.350 6.383 -7.928 1.00 0.00 N ATOM 163 CA GLY A 11 64.235 5.538 -8.441 1.00 0.00 C ATOM 164 C GLY A 11 63.664 4.692 -7.302 1.00 0.00 C ATOM 165 O GLY A 11 62.934 3.748 -7.526 1.00 0.00 O ATOM 0 H GLY A 11 65.062 7.208 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.454 6.168 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.594 4.892 -9.242 1.00 0.00 H new ATOM 169 N CYS A 12 63.990 5.019 -6.081 1.00 0.00 N ATOM 170 CA CYS A 12 63.459 4.223 -4.938 1.00 0.00 C ATOM 171 C CYS A 12 61.939 4.391 -4.830 1.00 0.00 C ATOM 172 O CYS A 12 61.228 3.469 -4.482 1.00 0.00 O ATOM 173 CB CYS A 12 64.140 4.791 -3.690 1.00 0.00 C ATOM 174 SG CYS A 12 65.925 4.950 -3.963 1.00 0.00 S ATOM 0 H CYS A 12 64.597 5.798 -5.826 1.00 0.00 H new ATOM 0 HA CYS A 12 63.659 3.159 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.715 5.765 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.953 4.139 -2.837 1.00 0.00 H new ATOM 179 N MET A 13 61.438 5.562 -5.115 1.00 0.00 N ATOM 180 CA MET A 13 59.968 5.792 -5.017 1.00 0.00 C ATOM 181 C MET A 13 59.253 5.297 -6.277 1.00 0.00 C ATOM 182 O MET A 13 58.068 5.506 -6.449 1.00 0.00 O ATOM 183 CB MET A 13 59.822 7.307 -4.885 1.00 0.00 C ATOM 184 CG MET A 13 60.655 7.800 -3.700 1.00 0.00 C ATOM 185 SD MET A 13 59.752 9.107 -2.833 1.00 0.00 S ATOM 186 CE MET A 13 58.559 8.039 -1.991 1.00 0.00 C ATOM 0 H MET A 13 61.984 6.371 -5.412 1.00 0.00 H new ATOM 0 HA MET A 13 59.526 5.255 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.151 7.796 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.774 7.571 -4.741 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.864 6.974 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.616 8.177 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.547 8.379 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 13 58.681 7.013 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.729 8.081 -0.915 1.00 0.00 H new ATOM 196 N ALA A 14 59.957 4.647 -7.160 1.00 0.00 N ATOM 197 CA ALA A 14 59.305 4.147 -8.404 1.00 0.00 C ATOM 198 C ALA A 14 58.649 2.788 -8.153 1.00 0.00 C ATOM 199 O ALA A 14 57.540 2.534 -8.581 1.00 0.00 O ATOM 200 CB ALA A 14 60.436 4.015 -9.422 1.00 0.00 C ATOM 0 H ALA A 14 60.952 4.440 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 14 58.519 4.818 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.034 3.651 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.902 4.988 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.181 3.312 -9.049 1.00 0.00 H new ATOM 206 N CYS A 15 59.330 1.913 -7.471 1.00 0.00 N ATOM 207 CA CYS A 15 58.757 0.565 -7.198 1.00 0.00 C ATOM 208 C CYS A 15 58.220 0.482 -5.767 1.00 0.00 C ATOM 209 O CYS A 15 57.460 -0.404 -5.434 1.00 0.00 O ATOM 210 CB CYS A 15 59.933 -0.395 -7.349 1.00 0.00 C ATOM 211 SG CYS A 15 60.467 -0.477 -9.080 1.00 0.00 S ATOM 0 H CYS A 15 60.262 2.072 -7.089 1.00 0.00 H new ATOM 0 HA CYS A 15 57.929 0.337 -7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.762 -0.066 -6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.646 -1.388 -7.003 1.00 0.00 H new ATOM 216 N HIS A 16 58.631 1.374 -4.906 1.00 0.00 N ATOM 217 CA HIS A 16 58.161 1.302 -3.493 1.00 0.00 C ATOM 218 C HIS A 16 57.040 2.304 -3.211 1.00 0.00 C ATOM 219 O HIS A 16 56.777 3.207 -3.980 1.00 0.00 O ATOM 220 CB HIS A 16 59.392 1.644 -2.654 1.00 0.00 C ATOM 221 CG HIS A 16 60.172 0.392 -2.367 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.610 -0.693 -1.712 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.472 0.036 -2.636 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.560 -1.641 -1.609 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.714 -1.249 -2.156 1.00 0.00 N ATOM 0 H HIS A 16 59.267 2.143 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 16 57.750 0.319 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.018 2.361 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.088 2.117 -1.720 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.651 -0.761 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.196 0.658 -3.142 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.408 -2.602 -1.141 1.00 0.00 H new ATOM 233 N ALA A 17 56.394 2.145 -2.087 1.00 0.00 N ATOM 234 CA ALA A 17 55.294 3.069 -1.692 1.00 0.00 C ATOM 235 C ALA A 17 55.288 3.206 -0.167 1.00 0.00 C ATOM 236 O ALA A 17 55.193 2.229 0.546 1.00 0.00 O ATOM 237 CB ALA A 17 54.010 2.399 -2.181 1.00 0.00 C ATOM 0 H ALA A 17 56.586 1.401 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 17 55.403 4.067 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.154 3.023 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.056 2.271 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.904 1.424 -1.704 1.00 0.00 H new ATOM 243 N ILE A 18 55.408 4.407 0.335 1.00 0.00 N ATOM 244 CA ILE A 18 55.434 4.615 1.817 1.00 0.00 C ATOM 245 C ILE A 18 54.470 3.659 2.524 1.00 0.00 C ATOM 246 O ILE A 18 54.672 3.293 3.664 1.00 0.00 O ATOM 247 CB ILE A 18 54.996 6.065 2.021 1.00 0.00 C ATOM 248 CG1 ILE A 18 56.120 7.002 1.572 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.695 6.306 3.501 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.749 7.646 0.234 1.00 0.00 C ATOM 0 H ILE A 18 55.490 5.259 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 18 56.422 4.419 2.235 1.00 0.00 H new ATOM 0 HB ILE A 18 54.099 6.260 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.286 7.773 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 18 57.053 6.446 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.383 7.340 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.897 5.638 3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.591 6.112 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.551 8.313 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 18 55.605 6.869 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.827 8.216 0.348 1.00 0.00 H new ATOM 262 N ASP A 19 53.425 3.248 1.861 1.00 0.00 N ATOM 263 CA ASP A 19 52.462 2.312 2.512 1.00 0.00 C ATOM 264 C ASP A 19 51.695 1.502 1.463 1.00 0.00 C ATOM 265 O ASP A 19 51.366 0.352 1.674 1.00 0.00 O ATOM 266 CB ASP A 19 51.505 3.206 3.299 1.00 0.00 C ATOM 267 CG ASP A 19 51.581 2.848 4.784 1.00 0.00 C ATOM 268 OD1 ASP A 19 52.431 3.400 5.464 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.789 2.026 5.217 1.00 0.00 O ATOM 0 H ASP A 19 53.196 3.516 0.904 1.00 0.00 H new ATOM 0 HA ASP A 19 52.971 1.591 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.766 4.254 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.486 3.077 2.934 1.00 0.00 H new ATOM 274 N THR A 20 51.405 2.089 0.336 1.00 0.00 N ATOM 275 CA THR A 20 50.658 1.344 -0.716 1.00 0.00 C ATOM 276 C THR A 20 51.542 0.248 -1.316 1.00 0.00 C ATOM 277 O THR A 20 52.754 0.333 -1.294 1.00 0.00 O ATOM 278 CB THR A 20 50.307 2.395 -1.770 1.00 0.00 C ATOM 279 OG1 THR A 20 51.497 3.022 -2.228 1.00 0.00 O ATOM 280 CG2 THR A 20 49.378 3.444 -1.158 1.00 0.00 C ATOM 0 H THR A 20 51.652 3.050 0.098 1.00 0.00 H new ATOM 0 HA THR A 20 49.769 0.851 -0.323 1.00 0.00 H new ATOM 0 HB THR A 20 49.805 1.914 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.273 3.694 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.129 4.192 -1.910 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.465 2.962 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.877 3.926 -0.318 1.00 0.00 H new ATOM 288 N LYS A 21 50.946 -0.787 -1.845 1.00 0.00 N ATOM 289 CA LYS A 21 51.755 -1.889 -2.436 1.00 0.00 C ATOM 290 C LYS A 21 51.886 -1.713 -3.952 1.00 0.00 C ATOM 291 O LYS A 21 50.907 -1.650 -4.669 1.00 0.00 O ATOM 292 CB LYS A 21 50.981 -3.166 -2.113 1.00 0.00 C ATOM 293 CG LYS A 21 51.330 -3.631 -0.698 1.00 0.00 C ATOM 294 CD LYS A 21 50.174 -3.301 0.249 1.00 0.00 C ATOM 295 CE LYS A 21 49.326 -4.554 0.477 1.00 0.00 C ATOM 296 NZ LYS A 21 50.211 -5.486 1.231 1.00 0.00 N ATOM 0 H LYS A 21 49.935 -0.916 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 21 52.768 -1.909 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.909 -2.984 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 21 51.227 -3.945 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 21 51.522 -4.704 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.243 -3.142 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.562 -2.934 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.560 -2.506 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 21 48.423 -4.322 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 49.006 -4.992 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 49.635 -6.070 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 50.718 -6.101 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.898 -4.938 1.787 1.00 0.00 H new ATOM 310 N MET A 22 53.092 -1.642 -4.444 1.00 0.00 N ATOM 311 CA MET A 22 53.296 -1.481 -5.912 1.00 0.00 C ATOM 312 C MET A 22 54.198 -2.604 -6.432 1.00 0.00 C ATOM 313 O MET A 22 53.749 -3.707 -6.678 1.00 0.00 O ATOM 314 CB MET A 22 53.973 -0.119 -6.071 1.00 0.00 C ATOM 315 CG MET A 22 52.912 0.983 -6.085 1.00 0.00 C ATOM 316 SD MET A 22 53.454 2.329 -7.168 1.00 0.00 S ATOM 317 CE MET A 22 55.191 2.348 -6.659 1.00 0.00 C ATOM 0 H MET A 22 53.948 -1.689 -3.891 1.00 0.00 H new ATOM 0 HA MET A 22 52.364 -1.532 -6.475 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.674 0.048 -5.253 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.550 -0.094 -6.995 1.00 0.00 H new ATOM 0 HG2 MET A 22 51.960 0.582 -6.434 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.749 1.358 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.617 3.331 -6.857 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.260 2.131 -5.593 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.743 1.594 -7.220 1.00 0.00 H new ATOM 327 N VAL A 23 55.469 -2.345 -6.590 1.00 0.00 N ATOM 328 CA VAL A 23 56.389 -3.410 -7.074 1.00 0.00 C ATOM 329 C VAL A 23 57.033 -4.105 -5.875 1.00 0.00 C ATOM 330 O VAL A 23 57.254 -5.300 -5.877 1.00 0.00 O ATOM 331 CB VAL A 23 57.443 -2.684 -7.912 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.559 -3.661 -8.287 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.793 -2.142 -9.186 1.00 0.00 C ATOM 0 H VAL A 23 55.907 -1.443 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 23 55.877 -4.175 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 23 57.861 -1.859 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.310 -3.144 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.022 -4.050 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.142 -4.486 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.542 -1.624 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.376 -2.968 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.997 -1.447 -8.921 1.00 0.00 H new ATOM 343 N GLY A 24 57.324 -3.359 -4.847 1.00 0.00 N ATOM 344 CA GLY A 24 57.942 -3.958 -3.632 1.00 0.00 C ATOM 345 C GLY A 24 57.044 -3.668 -2.423 1.00 0.00 C ATOM 346 O GLY A 24 56.029 -3.015 -2.556 1.00 0.00 O ATOM 0 H GLY A 24 57.159 -2.354 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.063 -5.033 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.937 -3.542 -3.471 1.00 0.00 H new ATOM 350 N PRO A 25 57.441 -4.168 -1.279 1.00 0.00 N ATOM 351 CA PRO A 25 56.654 -3.962 -0.041 1.00 0.00 C ATOM 352 C PRO A 25 56.716 -2.498 0.395 1.00 0.00 C ATOM 353 O PRO A 25 57.772 -1.897 0.433 1.00 0.00 O ATOM 354 CB PRO A 25 57.373 -4.866 0.966 1.00 0.00 C ATOM 355 CG PRO A 25 58.552 -5.553 0.251 1.00 0.00 C ATOM 356 CD PRO A 25 58.684 -4.960 -1.157 1.00 0.00 C ATOM 0 HA PRO A 25 55.595 -4.195 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.732 -4.280 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.685 -5.612 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.474 -5.403 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.385 -6.629 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.574 -4.339 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.750 -5.735 -1.921 1.00 0.00 H new ATOM 364 N ALA A 26 55.594 -1.920 0.726 1.00 0.00 N ATOM 365 CA ALA A 26 55.592 -0.495 1.161 1.00 0.00 C ATOM 366 C ALA A 26 56.769 -0.232 2.101 1.00 0.00 C ATOM 367 O ALA A 26 57.225 -1.112 2.801 1.00 0.00 O ATOM 368 CB ALA A 26 54.264 -0.306 1.895 1.00 0.00 C ATOM 0 H ALA A 26 54.680 -2.372 0.714 1.00 0.00 H new ATOM 0 HA ALA A 26 55.694 0.195 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.186 0.722 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.439 -0.520 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.219 -0.986 2.746 1.00 0.00 H new ATOM 374 N TYR A 27 57.269 0.973 2.119 1.00 0.00 N ATOM 375 CA TYR A 27 58.418 1.294 3.007 1.00 0.00 C ATOM 376 C TYR A 27 58.036 1.062 4.474 1.00 0.00 C ATOM 377 O TYR A 27 58.670 0.298 5.176 1.00 0.00 O ATOM 378 CB TYR A 27 58.706 2.770 2.738 1.00 0.00 C ATOM 379 CG TYR A 27 59.502 2.904 1.460 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.570 2.035 1.201 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.174 3.902 0.536 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.308 2.168 0.018 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.912 4.033 -0.647 1.00 0.00 C ATOM 384 CZ TYR A 27 60.979 3.167 -0.905 1.00 0.00 C ATOM 385 OH TYR A 27 61.706 3.298 -2.070 1.00 0.00 O ATOM 0 H TYR A 27 56.929 1.751 1.554 1.00 0.00 H new ATOM 0 HA TYR A 27 59.289 0.668 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.771 3.325 2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.261 3.201 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.824 1.263 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.351 4.572 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.132 1.499 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.657 4.803 -1.360 1.00 0.00 H new ATOM 0 HH TYR A 27 62.089 4.199 -2.117 1.00 0.00 H new ATOM 395 N LYS A 28 57.004 1.702 4.948 1.00 0.00 N ATOM 396 CA LYS A 28 56.604 1.489 6.365 1.00 0.00 C ATOM 397 C LYS A 28 56.503 -0.008 6.645 1.00 0.00 C ATOM 398 O LYS A 28 57.055 -0.513 7.603 1.00 0.00 O ATOM 399 CB LYS A 28 55.238 2.160 6.499 1.00 0.00 C ATOM 400 CG LYS A 28 55.007 2.554 7.958 1.00 0.00 C ATOM 401 CD LYS A 28 54.591 1.320 8.763 1.00 0.00 C ATOM 402 CE LYS A 28 53.408 1.674 9.668 1.00 0.00 C ATOM 403 NZ LYS A 28 53.697 0.991 10.961 1.00 0.00 N ATOM 0 H LYS A 28 56.426 2.357 4.421 1.00 0.00 H new ATOM 0 HA LYS A 28 57.322 1.903 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.190 3.042 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.453 1.482 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.916 2.985 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.233 3.319 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 28 54.316 0.509 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 28 55.429 0.966 9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.321 2.752 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.466 1.329 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 52.930 1.186 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.767 -0.035 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 54.596 1.344 11.347 1.00 0.00 H new ATOM 417 N ASP A 29 55.807 -0.723 5.808 1.00 0.00 N ATOM 418 CA ASP A 29 55.674 -2.194 6.015 1.00 0.00 C ATOM 419 C ASP A 29 57.059 -2.837 6.158 1.00 0.00 C ATOM 420 O ASP A 29 57.275 -3.697 6.993 1.00 0.00 O ATOM 421 CB ASP A 29 54.973 -2.705 4.756 1.00 0.00 C ATOM 422 CG ASP A 29 53.457 -2.661 4.961 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.021 -2.928 6.068 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.759 -2.362 4.006 1.00 0.00 O ATOM 0 H ASP A 29 55.324 -0.354 4.989 1.00 0.00 H new ATOM 0 HA ASP A 29 55.118 -2.437 6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.252 -2.093 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.292 -3.724 4.538 1.00 0.00 H new ATOM 429 N VAL A 30 58.002 -2.424 5.352 1.00 0.00 N ATOM 430 CA VAL A 30 59.370 -3.009 5.444 1.00 0.00 C ATOM 431 C VAL A 30 59.889 -2.894 6.875 1.00 0.00 C ATOM 432 O VAL A 30 60.475 -3.813 7.410 1.00 0.00 O ATOM 433 CB VAL A 30 60.232 -2.174 4.494 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.707 -2.502 4.723 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.856 -2.498 3.046 1.00 0.00 C ATOM 0 H VAL A 30 57.883 -1.708 4.635 1.00 0.00 H new ATOM 0 HA VAL A 30 59.385 -4.066 5.178 1.00 0.00 H new ATOM 0 HB VAL A 30 60.062 -1.115 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.321 -1.908 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.975 -2.271 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.878 -3.561 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.470 -1.904 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 60.026 -3.557 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.804 -2.264 2.882 1.00 0.00 H new ATOM 445 N ALA A 31 59.672 -1.772 7.498 1.00 0.00 N ATOM 446 CA ALA A 31 60.148 -1.600 8.899 1.00 0.00 C ATOM 447 C ALA A 31 59.266 -2.407 9.853 1.00 0.00 C ATOM 448 O ALA A 31 59.675 -2.766 10.940 1.00 0.00 O ATOM 449 CB ALA A 31 60.016 -0.107 9.186 1.00 0.00 C ATOM 0 H ALA A 31 59.187 -0.968 7.100 1.00 0.00 H new ATOM 0 HA ALA A 31 61.172 -1.949 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.349 0.099 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.631 0.454 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.974 0.194 9.077 1.00 0.00 H new ATOM 455 N ALA A 32 58.057 -2.695 9.455 1.00 0.00 N ATOM 456 CA ALA A 32 57.151 -3.477 10.340 1.00 0.00 C ATOM 457 C ALA A 32 57.683 -4.900 10.512 1.00 0.00 C ATOM 458 O ALA A 32 57.539 -5.505 11.556 1.00 0.00 O ATOM 459 CB ALA A 32 55.801 -3.492 9.620 1.00 0.00 C ATOM 0 H ALA A 32 57.659 -2.423 8.556 1.00 0.00 H new ATOM 0 HA ALA A 32 57.073 -3.043 11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.078 -4.052 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.447 -2.469 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.914 -3.965 8.645 1.00 0.00 H new ATOM 465 N LYS A 33 58.294 -5.440 9.496 1.00 0.00 N ATOM 466 CA LYS A 33 58.832 -6.825 9.606 1.00 0.00 C ATOM 467 C LYS A 33 60.248 -6.805 10.191 1.00 0.00 C ATOM 468 O LYS A 33 60.553 -7.523 11.122 1.00 0.00 O ATOM 469 CB LYS A 33 58.850 -7.372 8.178 1.00 0.00 C ATOM 470 CG LYS A 33 59.585 -8.713 8.162 1.00 0.00 C ATOM 471 CD LYS A 33 59.372 -9.403 6.813 1.00 0.00 C ATOM 472 CE LYS A 33 58.468 -10.624 7.003 1.00 0.00 C ATOM 473 NZ LYS A 33 59.241 -11.766 6.441 1.00 0.00 N ATOM 0 H LYS A 33 58.444 -4.984 8.596 1.00 0.00 H new ATOM 0 HA LYS A 33 58.225 -7.443 10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.831 -7.498 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.344 -6.665 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.649 -8.557 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.219 -9.349 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.920 -8.709 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 60.330 -9.708 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 33 58.237 -10.784 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.518 -10.497 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.686 -12.641 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.441 -11.589 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.137 -11.867 6.959 1.00 0.00 H new ATOM 487 N TYR A 34 61.115 -5.990 9.654 1.00 0.00 N ATOM 488 CA TYR A 34 62.507 -5.934 10.186 1.00 0.00 C ATOM 489 C TYR A 34 62.540 -5.150 11.500 1.00 0.00 C ATOM 490 O TYR A 34 63.582 -4.964 12.097 1.00 0.00 O ATOM 491 CB TYR A 34 63.318 -5.212 9.108 1.00 0.00 C ATOM 492 CG TYR A 34 63.783 -6.213 8.078 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.363 -7.419 8.489 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.637 -5.935 6.714 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.796 -8.348 7.536 1.00 0.00 C ATOM 496 CE2 TYR A 34 64.071 -6.864 5.760 1.00 0.00 C ATOM 497 CZ TYR A 34 64.650 -8.070 6.171 1.00 0.00 C ATOM 498 OH TYR A 34 65.078 -8.986 5.231 1.00 0.00 O ATOM 0 H TYR A 34 60.921 -5.363 8.873 1.00 0.00 H new ATOM 0 HA TYR A 34 62.907 -6.925 10.398 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.710 -4.442 8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.175 -4.710 9.557 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.476 -7.633 9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 34 63.190 -5.004 6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 34 65.243 -9.279 7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.959 -6.650 4.707 1.00 0.00 H new ATOM 0 HH TYR A 34 64.902 -8.638 4.332 1.00 0.00 H new ATOM 508 N ALA A 35 61.406 -4.690 11.956 1.00 0.00 N ATOM 509 CA ALA A 35 61.373 -3.919 13.233 1.00 0.00 C ATOM 510 C ALA A 35 61.921 -4.768 14.385 1.00 0.00 C ATOM 511 O ALA A 35 61.475 -5.874 14.621 1.00 0.00 O ATOM 512 CB ALA A 35 59.896 -3.597 13.461 1.00 0.00 C ATOM 0 H ALA A 35 60.502 -4.814 11.500 1.00 0.00 H new ATOM 0 HA ALA A 35 61.986 -3.019 13.186 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.786 -3.029 14.385 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.519 -3.008 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.329 -4.525 13.536 1.00 0.00 H new ATOM 518 N GLY A 36 62.883 -4.257 15.106 1.00 0.00 N ATOM 519 CA GLY A 36 63.459 -5.032 16.243 1.00 0.00 C ATOM 520 C GLY A 36 64.858 -5.530 15.873 1.00 0.00 C ATOM 521 O GLY A 36 65.312 -6.549 16.353 1.00 0.00 O ATOM 0 H GLY A 36 63.295 -3.336 14.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.509 -4.406 17.134 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.814 -5.877 16.483 1.00 0.00 H new ATOM 525 N GLN A 37 65.546 -4.817 15.022 1.00 0.00 N ATOM 526 CA GLN A 37 66.916 -5.251 14.621 1.00 0.00 C ATOM 527 C GLN A 37 67.955 -4.227 15.090 1.00 0.00 C ATOM 528 O GLN A 37 67.746 -3.033 15.006 1.00 0.00 O ATOM 529 CB GLN A 37 66.879 -5.319 13.094 1.00 0.00 C ATOM 530 CG GLN A 37 66.897 -6.782 12.648 1.00 0.00 C ATOM 531 CD GLN A 37 68.308 -7.158 12.193 1.00 0.00 C ATOM 532 OE1 GLN A 37 69.023 -7.843 12.896 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.742 -6.733 11.038 1.00 0.00 N ATOM 0 H GLN A 37 65.219 -3.954 14.588 1.00 0.00 H new ATOM 0 HA GLN A 37 67.193 -6.208 15.064 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.983 -4.824 12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.735 -4.789 12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.584 -7.427 13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 37 66.188 -6.934 11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.141 -6.158 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.682 -6.976 10.726 1.00 0.00 H new ATOM 542 N ALA A 38 69.074 -4.685 15.586 1.00 0.00 N ATOM 543 CA ALA A 38 70.122 -3.739 16.063 1.00 0.00 C ATOM 544 C ALA A 38 71.074 -3.377 14.921 1.00 0.00 C ATOM 545 O ALA A 38 72.273 -3.294 15.104 1.00 0.00 O ATOM 546 CB ALA A 38 70.870 -4.496 17.160 1.00 0.00 C ATOM 0 H ALA A 38 69.307 -5.674 15.681 1.00 0.00 H new ATOM 0 HA ALA A 38 69.695 -2.805 16.428 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.661 -3.864 17.564 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.176 -4.762 17.957 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.307 -5.403 16.743 1.00 0.00 H new ATOM 552 N GLY A 39 70.556 -3.159 13.743 1.00 0.00 N ATOM 553 CA GLY A 39 71.439 -2.803 12.597 1.00 0.00 C ATOM 554 C GLY A 39 70.785 -3.244 11.288 1.00 0.00 C ATOM 555 O GLY A 39 71.364 -3.977 10.510 1.00 0.00 O ATOM 0 H GLY A 39 69.561 -3.212 13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.616 -1.728 12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.410 -3.285 12.710 1.00 0.00 H new ATOM 559 N ALA A 40 69.582 -2.808 11.036 1.00 0.00 N ATOM 560 CA ALA A 40 68.898 -3.207 9.776 1.00 0.00 C ATOM 561 C ALA A 40 69.265 -2.244 8.647 1.00 0.00 C ATOM 562 O ALA A 40 69.086 -2.543 7.486 1.00 0.00 O ATOM 563 CB ALA A 40 67.405 -3.125 10.091 1.00 0.00 C ATOM 0 H ALA A 40 69.044 -2.194 11.647 1.00 0.00 H new ATOM 0 HA ALA A 40 69.189 -4.205 9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.831 -3.406 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.168 -3.805 10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 40 67.150 -2.106 10.381 1.00 0.00 H new ATOM 569 N GLU A 41 69.781 -1.093 8.978 1.00 0.00 N ATOM 570 CA GLU A 41 70.165 -0.120 7.918 1.00 0.00 C ATOM 571 C GLU A 41 71.465 -0.573 7.252 1.00 0.00 C ATOM 572 O GLU A 41 71.673 -0.377 6.072 1.00 0.00 O ATOM 573 CB GLU A 41 70.367 1.207 8.650 1.00 0.00 C ATOM 574 CG GLU A 41 69.134 1.516 9.501 1.00 0.00 C ATOM 575 CD GLU A 41 69.573 2.079 10.854 1.00 0.00 C ATOM 576 OE1 GLU A 41 70.330 1.407 11.535 1.00 0.00 O ATOM 577 OE2 GLU A 41 69.146 3.172 11.186 1.00 0.00 O ATOM 0 H GLU A 41 69.953 -0.785 9.935 1.00 0.00 H new ATOM 0 HA GLU A 41 69.413 -0.035 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 41 71.254 1.154 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.535 2.009 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.495 2.234 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 41 68.544 0.611 9.646 1.00 0.00 H new ATOM 584 N ALA A 42 72.341 -1.185 8.003 1.00 0.00 N ATOM 585 CA ALA A 42 73.624 -1.659 7.414 1.00 0.00 C ATOM 586 C ALA A 42 73.343 -2.771 6.403 1.00 0.00 C ATOM 587 O ALA A 42 73.796 -2.729 5.274 1.00 0.00 O ATOM 588 CB ALA A 42 74.431 -2.196 8.597 1.00 0.00 C ATOM 0 H ALA A 42 72.223 -1.376 8.998 1.00 0.00 H new ATOM 0 HA ALA A 42 74.161 -0.870 6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.394 -2.565 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.593 -1.397 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.883 -3.010 9.072 1.00 0.00 H new ATOM 594 N TYR A 43 72.587 -3.761 6.792 1.00 0.00 N ATOM 595 CA TYR A 43 72.269 -4.865 5.845 1.00 0.00 C ATOM 596 C TYR A 43 71.320 -4.344 4.773 1.00 0.00 C ATOM 597 O TYR A 43 71.365 -4.757 3.632 1.00 0.00 O ATOM 598 CB TYR A 43 71.604 -5.942 6.704 1.00 0.00 C ATOM 599 CG TYR A 43 71.168 -7.097 5.836 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.126 -7.911 5.222 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.805 -7.358 5.651 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.722 -8.987 4.421 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.400 -8.433 4.852 1.00 0.00 C ATOM 604 CZ TYR A 43 70.358 -9.248 4.237 1.00 0.00 C ATOM 605 OH TYR A 43 69.959 -10.309 3.450 1.00 0.00 O ATOM 0 H TYR A 43 72.177 -3.852 7.722 1.00 0.00 H new ATOM 0 HA TYR A 43 73.146 -5.259 5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.300 -6.292 7.467 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.743 -5.523 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.177 -7.710 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.066 -6.729 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.461 -9.615 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.348 -8.634 4.710 1.00 0.00 H new ATOM 0 HH TYR A 43 68.980 -10.350 3.428 1.00 0.00 H new ATOM 615 N LEU A 44 70.485 -3.409 5.122 1.00 0.00 N ATOM 616 CA LEU A 44 69.567 -2.832 4.111 1.00 0.00 C ATOM 617 C LEU A 44 70.409 -2.056 3.104 1.00 0.00 C ATOM 618 O LEU A 44 70.053 -1.906 1.956 1.00 0.00 O ATOM 619 CB LEU A 44 68.643 -1.897 4.894 1.00 0.00 C ATOM 620 CG LEU A 44 67.465 -2.701 5.453 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.731 -1.869 6.505 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.502 -3.050 4.316 1.00 0.00 C ATOM 0 H LEU A 44 70.400 -3.021 6.062 1.00 0.00 H new ATOM 0 HA LEU A 44 68.988 -3.578 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.192 -1.421 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.279 -1.100 4.246 1.00 0.00 H new ATOM 0 HG LEU A 44 67.836 -3.618 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.893 -2.442 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.417 -1.620 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.359 -0.951 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.663 -3.622 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.132 -2.133 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.024 -3.644 3.566 1.00 0.00 H new ATOM 634 N ALA A 45 71.543 -1.576 3.536 1.00 0.00 N ATOM 635 CA ALA A 45 72.432 -0.822 2.616 1.00 0.00 C ATOM 636 C ALA A 45 73.145 -1.791 1.674 1.00 0.00 C ATOM 637 O ALA A 45 73.412 -1.473 0.532 1.00 0.00 O ATOM 638 CB ALA A 45 73.438 -0.115 3.524 1.00 0.00 C ATOM 0 H ALA A 45 71.891 -1.675 4.490 1.00 0.00 H new ATOM 0 HA ALA A 45 71.884 -0.114 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.132 0.465 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.908 0.551 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.992 -0.856 4.099 1.00 0.00 H new ATOM 644 N GLN A 46 73.455 -2.973 2.137 1.00 0.00 N ATOM 645 CA GLN A 46 74.147 -3.946 1.246 1.00 0.00 C ATOM 646 C GLN A 46 73.157 -4.535 0.239 1.00 0.00 C ATOM 647 O GLN A 46 73.491 -4.778 -0.904 1.00 0.00 O ATOM 648 CB GLN A 46 74.686 -5.032 2.178 1.00 0.00 C ATOM 649 CG GLN A 46 76.079 -4.639 2.668 1.00 0.00 C ATOM 650 CD GLN A 46 76.573 -5.672 3.684 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.065 -6.874 3.674 1.00 0.00 O flip ATOM 652 NE2 GLN A 46 77.428 -5.380 4.498 1.00 0.00 N flip ATOM 0 H GLN A 46 73.261 -3.303 3.082 1.00 0.00 H new ATOM 0 HA GLN A 46 74.946 -3.481 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.014 -5.164 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.729 -5.987 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.769 -4.582 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.050 -3.650 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.825 -4.440 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.748 -6.075 5.173 1.00 0.00 H new ATOM 661 N ARG A 47 71.939 -4.757 0.649 1.00 0.00 N ATOM 662 CA ARG A 47 70.931 -5.321 -0.293 1.00 0.00 C ATOM 663 C ARG A 47 70.346 -4.201 -1.151 1.00 0.00 C ATOM 664 O ARG A 47 69.738 -4.443 -2.174 1.00 0.00 O ATOM 665 CB ARG A 47 69.857 -5.944 0.596 1.00 0.00 C ATOM 666 CG ARG A 47 70.455 -7.122 1.368 1.00 0.00 C ATOM 667 CD ARG A 47 70.394 -8.386 0.505 1.00 0.00 C ATOM 668 NE ARG A 47 71.324 -9.343 1.166 1.00 0.00 N ATOM 669 CZ ARG A 47 72.613 -9.137 1.127 1.00 0.00 C ATOM 670 NH1 ARG A 47 73.092 -8.092 0.507 1.00 0.00 N ATOM 671 NH2 ARG A 47 73.423 -9.976 1.709 1.00 0.00 N ATOM 0 H ARG A 47 71.598 -4.573 1.593 1.00 0.00 H new ATOM 0 HA ARG A 47 71.359 -6.056 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.468 -5.200 1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.018 -6.282 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.488 -6.905 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.906 -7.277 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 47 69.381 -8.786 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 47 70.701 -8.180 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 47 70.954 -10.161 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.459 -7.434 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.099 -7.933 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 47 73.050 -10.792 2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.430 -9.817 1.679 1.00 0.00 H new ATOM 685 N ILE A 48 70.538 -2.974 -0.750 1.00 0.00 N ATOM 686 CA ILE A 48 70.007 -1.838 -1.553 1.00 0.00 C ATOM 687 C ILE A 48 71.023 -1.468 -2.637 1.00 0.00 C ATOM 688 O ILE A 48 70.667 -1.001 -3.701 1.00 0.00 O ATOM 689 CB ILE A 48 69.823 -0.691 -0.557 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.514 -0.890 0.212 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.768 0.643 -1.307 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.462 0.085 1.388 1.00 0.00 C ATOM 0 H ILE A 48 71.039 -2.710 0.098 1.00 0.00 H new ATOM 0 HA ILE A 48 69.069 -2.076 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 48 70.662 -0.682 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.663 -0.726 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.444 -1.916 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.637 1.456 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.697 0.789 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.931 0.634 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.531 -0.056 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.306 -0.101 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.513 1.108 1.015 1.00 0.00 H new ATOM 704 N LYS A 49 72.285 -1.682 -2.377 1.00 0.00 N ATOM 705 CA LYS A 49 73.318 -1.354 -3.397 1.00 0.00 C ATOM 706 C LYS A 49 73.470 -2.524 -4.372 1.00 0.00 C ATOM 707 O LYS A 49 74.001 -2.380 -5.455 1.00 0.00 O ATOM 708 CB LYS A 49 74.607 -1.145 -2.600 1.00 0.00 C ATOM 709 CG LYS A 49 75.808 -1.187 -3.548 1.00 0.00 C ATOM 710 CD LYS A 49 77.103 -1.187 -2.733 1.00 0.00 C ATOM 711 CE LYS A 49 78.192 -0.435 -3.503 1.00 0.00 C ATOM 712 NZ LYS A 49 79.457 -1.153 -3.183 1.00 0.00 N ATOM 0 H LYS A 49 72.643 -2.069 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 49 73.061 -0.474 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.574 -0.187 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.705 -1.918 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.760 -2.078 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.787 -0.327 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.936 -0.715 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.422 -2.211 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.994 -0.443 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.243 0.610 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 80.233 -0.760 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.676 -1.037 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.346 -2.164 -3.399 1.00 0.00 H new ATOM 726 N ASN A 50 73.003 -3.683 -3.992 1.00 0.00 N ATOM 727 CA ASN A 50 73.113 -4.868 -4.891 1.00 0.00 C ATOM 728 C ASN A 50 71.735 -5.515 -5.082 1.00 0.00 C ATOM 729 O ASN A 50 71.592 -6.499 -5.782 1.00 0.00 O ATOM 730 CB ASN A 50 74.062 -5.824 -4.167 1.00 0.00 C ATOM 731 CG ASN A 50 73.987 -7.208 -4.813 1.00 0.00 C ATOM 732 OD1 ASN A 50 74.209 -7.351 -5.999 1.00 0.00 O ATOM 733 ND2 ASN A 50 73.681 -8.242 -4.078 1.00 0.00 N ATOM 0 H ASN A 50 72.549 -3.860 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 50 73.479 -4.605 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 50 75.083 -5.444 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.794 -5.889 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 50 73.628 -9.169 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.495 -8.123 -3.082 1.00 0.00 H new ATOM 740 N GLY A 51 70.724 -4.967 -4.465 1.00 0.00 N ATOM 741 CA GLY A 51 69.353 -5.545 -4.603 1.00 0.00 C ATOM 742 C GLY A 51 69.396 -7.043 -4.301 1.00 0.00 C ATOM 743 O GLY A 51 70.414 -7.563 -3.886 1.00 0.00 O ATOM 0 H GLY A 51 70.787 -4.142 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.666 -5.045 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.977 -5.378 -5.612 1.00 0.00 H new ATOM 747 N SER A 52 68.304 -7.749 -4.493 1.00 0.00 N ATOM 748 CA SER A 52 68.316 -9.222 -4.190 1.00 0.00 C ATOM 749 C SER A 52 66.900 -9.814 -4.174 1.00 0.00 C ATOM 750 O SER A 52 65.929 -9.114 -3.984 1.00 0.00 O ATOM 751 CB SER A 52 68.919 -9.325 -2.793 1.00 0.00 C ATOM 752 OG SER A 52 68.570 -8.165 -2.048 1.00 0.00 O ATOM 0 H SER A 52 67.419 -7.379 -4.840 1.00 0.00 H new ATOM 0 HA SER A 52 68.875 -9.772 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 52 68.551 -10.219 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 52 70.003 -9.418 -2.857 1.00 0.00 H new ATOM 0 HG SER A 52 67.889 -8.396 -1.382 1.00 0.00 H new ATOM 758 N GLN A 53 66.785 -11.111 -4.350 1.00 0.00 N ATOM 759 CA GLN A 53 65.434 -11.756 -4.325 1.00 0.00 C ATOM 760 C GLN A 53 65.250 -12.534 -3.018 1.00 0.00 C ATOM 761 O GLN A 53 65.995 -12.361 -2.073 1.00 0.00 O ATOM 762 CB GLN A 53 65.402 -12.674 -5.573 1.00 0.00 C ATOM 763 CG GLN A 53 65.620 -14.159 -5.231 1.00 0.00 C ATOM 764 CD GLN A 53 66.815 -14.681 -6.025 1.00 0.00 C ATOM 765 OE1 GLN A 53 66.709 -15.655 -6.744 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.962 -14.065 -5.922 1.00 0.00 N ATOM 0 H GLN A 53 67.566 -11.747 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 53 64.616 -11.037 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.442 -12.560 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.171 -12.351 -6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.797 -14.277 -4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.727 -14.736 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.049 -13.248 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.770 -14.401 -6.445 1.00 0.00 H new ATOM 775 N GLY A 54 64.271 -13.395 -2.956 1.00 0.00 N ATOM 776 CA GLY A 54 64.053 -14.182 -1.711 1.00 0.00 C ATOM 777 C GLY A 54 63.947 -13.232 -0.519 1.00 0.00 C ATOM 778 O GLY A 54 64.102 -13.626 0.620 1.00 0.00 O ATOM 0 H GLY A 54 63.614 -13.587 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.143 -14.776 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.876 -14.880 -1.561 1.00 0.00 H new ATOM 782 N VAL A 55 63.676 -11.982 -0.773 1.00 0.00 N ATOM 783 CA VAL A 55 63.549 -11.003 0.341 1.00 0.00 C ATOM 784 C VAL A 55 62.075 -10.873 0.730 1.00 0.00 C ATOM 785 O VAL A 55 61.657 -11.309 1.784 1.00 0.00 O ATOM 786 CB VAL A 55 64.083 -9.691 -0.235 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.322 -8.691 0.896 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.403 -9.956 -0.964 1.00 0.00 C ATOM 0 H VAL A 55 63.537 -11.596 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 55 64.094 -11.297 1.238 1.00 0.00 H new ATOM 0 HB VAL A 55 63.354 -9.280 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.703 -7.757 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.384 -8.501 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.050 -9.101 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.785 -9.022 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.129 -10.368 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.235 -10.667 -1.773 1.00 0.00 H new ATOM 798 N TRP A 56 61.284 -10.293 -0.129 1.00 0.00 N ATOM 799 CA TRP A 56 59.836 -10.148 0.160 1.00 0.00 C ATOM 800 C TRP A 56 59.049 -11.065 -0.776 1.00 0.00 C ATOM 801 O TRP A 56 58.079 -11.689 -0.393 1.00 0.00 O ATOM 802 CB TRP A 56 59.533 -8.686 -0.142 1.00 0.00 C ATOM 803 CG TRP A 56 60.220 -7.820 0.864 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.419 -7.226 0.678 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.775 -7.439 2.199 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.742 -6.506 1.814 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.760 -6.605 2.779 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.627 -7.733 2.958 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.612 -6.080 4.062 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.475 -7.205 4.251 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.466 -6.382 4.802 1.00 0.00 C ATOM 0 H TRP A 56 61.584 -9.911 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 56 59.569 -10.415 1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.870 -8.433 -1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.457 -8.512 -0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.026 -7.301 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.601 -5.968 1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.858 -8.368 2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.378 -5.444 4.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.589 -7.435 4.824 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.344 -5.982 5.798 1.00 0.00 H new ATOM 822 N GLY A 57 59.479 -11.153 -2.003 1.00 0.00 N ATOM 823 CA GLY A 57 58.787 -12.030 -2.986 1.00 0.00 C ATOM 824 C GLY A 57 59.783 -12.438 -4.076 1.00 0.00 C ATOM 825 O GLY A 57 60.955 -12.131 -3.984 1.00 0.00 O ATOM 0 H GLY A 57 60.287 -10.650 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.390 -12.915 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.939 -11.506 -3.427 1.00 0.00 H new ATOM 829 N PRO A 58 59.287 -13.115 -5.083 1.00 0.00 N ATOM 830 CA PRO A 58 60.146 -13.566 -6.210 1.00 0.00 C ATOM 831 C PRO A 58 60.611 -12.381 -7.074 1.00 0.00 C ATOM 832 O PRO A 58 61.192 -12.569 -8.125 1.00 0.00 O ATOM 833 CB PRO A 58 59.198 -14.468 -7.006 1.00 0.00 C ATOM 834 CG PRO A 58 57.824 -14.483 -6.305 1.00 0.00 C ATOM 835 CD PRO A 58 57.855 -13.483 -5.145 1.00 0.00 C ATOM 0 HA PRO A 58 61.059 -14.061 -5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.097 -14.102 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.601 -15.479 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.037 -14.219 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.599 -15.484 -5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.221 -12.618 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.510 -13.931 -4.213 1.00 0.00 H new ATOM 843 N ILE A 59 60.361 -11.166 -6.656 1.00 0.00 N ATOM 844 CA ILE A 59 60.799 -9.994 -7.468 1.00 0.00 C ATOM 845 C ILE A 59 61.987 -9.299 -6.790 1.00 0.00 C ATOM 846 O ILE A 59 61.812 -8.320 -6.092 1.00 0.00 O ATOM 847 CB ILE A 59 59.590 -9.060 -7.509 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.340 -9.852 -7.896 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.834 -7.959 -8.543 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.177 -8.885 -8.126 1.00 0.00 C ATOM 0 H ILE A 59 59.874 -10.937 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 59 61.122 -10.284 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 59 59.445 -8.614 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.529 -10.432 -8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.087 -10.562 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.973 -7.292 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.723 -7.392 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.980 -8.408 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.285 -9.448 -8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.984 -8.324 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.432 -8.193 -8.929 1.00 0.00 H new ATOM 862 N PRO A 60 63.163 -9.831 -7.013 1.00 0.00 N ATOM 863 CA PRO A 60 64.391 -9.258 -6.416 1.00 0.00 C ATOM 864 C PRO A 60 64.549 -7.784 -6.767 1.00 0.00 C ATOM 865 O PRO A 60 64.209 -7.350 -7.849 1.00 0.00 O ATOM 866 CB PRO A 60 65.501 -10.071 -7.087 1.00 0.00 C ATOM 867 CG PRO A 60 64.856 -11.088 -8.048 1.00 0.00 C ATOM 868 CD PRO A 60 63.335 -11.026 -7.871 1.00 0.00 C ATOM 0 HA PRO A 60 64.391 -9.308 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.176 -9.411 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.098 -10.587 -6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.127 -10.860 -9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.221 -12.093 -7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.819 -10.919 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.944 -11.926 -7.397 1.00 0.00 H new ATOM 876 N MET A 61 65.088 -7.014 -5.866 1.00 0.00 N ATOM 877 CA MET A 61 65.298 -5.577 -6.158 1.00 0.00 C ATOM 878 C MET A 61 66.485 -5.420 -7.108 1.00 0.00 C ATOM 879 O MET A 61 67.526 -6.000 -6.872 1.00 0.00 O ATOM 880 CB MET A 61 65.637 -4.952 -4.811 1.00 0.00 C ATOM 881 CG MET A 61 65.878 -3.454 -4.999 1.00 0.00 C ATOM 882 SD MET A 61 67.416 -2.967 -4.182 1.00 0.00 S ATOM 883 CE MET A 61 67.018 -3.631 -2.546 1.00 0.00 C ATOM 0 H MET A 61 65.391 -7.320 -4.941 1.00 0.00 H new ATOM 0 HA MET A 61 64.429 -5.114 -6.624 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.823 -5.116 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.524 -5.425 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.930 -3.216 -6.061 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.043 -2.888 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.313 -2.914 -1.780 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.945 -3.813 -2.478 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.555 -4.567 -2.393 1.00 0.00 H new ATOM 893 N PRO A 62 66.310 -4.635 -8.143 1.00 0.00 N ATOM 894 CA PRO A 62 67.410 -4.399 -9.103 1.00 0.00 C ATOM 895 C PRO A 62 68.520 -3.602 -8.406 1.00 0.00 C ATOM 896 O PRO A 62 68.248 -2.587 -7.795 1.00 0.00 O ATOM 897 CB PRO A 62 66.732 -3.560 -10.191 1.00 0.00 C ATOM 898 CG PRO A 62 65.257 -3.344 -9.801 1.00 0.00 C ATOM 899 CD PRO A 62 65.022 -3.957 -8.414 1.00 0.00 C ATOM 0 HA PRO A 62 67.872 -5.305 -9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.239 -2.601 -10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.798 -4.066 -11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.021 -2.280 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.600 -3.808 -10.536 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.798 -3.196 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.187 -4.657 -8.416 1.00 0.00 H new ATOM 907 N PRO A 63 69.735 -4.077 -8.500 1.00 0.00 N ATOM 908 CA PRO A 63 70.865 -3.379 -7.849 1.00 0.00 C ATOM 909 C PRO A 63 70.947 -1.933 -8.344 1.00 0.00 C ATOM 910 O PRO A 63 70.845 -1.662 -9.524 1.00 0.00 O ATOM 911 CB PRO A 63 72.073 -4.201 -8.296 1.00 0.00 C ATOM 912 CG PRO A 63 71.582 -5.350 -9.201 1.00 0.00 C ATOM 913 CD PRO A 63 70.049 -5.311 -9.254 1.00 0.00 C ATOM 0 HA PRO A 63 70.783 -3.312 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.780 -3.571 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.599 -4.601 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 63 71.998 -5.246 -10.203 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.923 -6.310 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.679 -5.266 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.604 -6.193 -8.793 1.00 0.00 H new ATOM 921 N ASN A 64 71.112 -1.001 -7.447 1.00 0.00 N ATOM 922 CA ASN A 64 71.179 0.429 -7.858 1.00 0.00 C ATOM 923 C ASN A 64 72.613 0.955 -7.777 1.00 0.00 C ATOM 924 O ASN A 64 73.533 0.235 -7.446 1.00 0.00 O ATOM 925 CB ASN A 64 70.288 1.155 -6.851 1.00 0.00 C ATOM 926 CG ASN A 64 68.893 0.528 -6.866 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.702 -0.620 -6.275 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.968 1.090 -7.419 1.00 0.00 N flip ATOM 0 H ASN A 64 71.204 -1.168 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 64 70.856 0.576 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.719 1.088 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.226 2.214 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.119 1.987 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.041 0.665 -7.422 1.00 0.00 H new ATOM 935 N ALA A 65 72.806 2.211 -8.073 1.00 0.00 N ATOM 936 CA ALA A 65 74.176 2.794 -8.010 1.00 0.00 C ATOM 937 C ALA A 65 74.321 3.658 -6.755 1.00 0.00 C ATOM 938 O ALA A 65 74.992 4.671 -6.757 1.00 0.00 O ATOM 939 CB ALA A 65 74.304 3.649 -9.272 1.00 0.00 C ATOM 0 H ALA A 65 72.072 2.860 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 65 74.950 2.029 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.290 4.114 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.176 3.019 -10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.538 4.424 -9.266 1.00 0.00 H new ATOM 945 N VAL A 66 73.697 3.258 -5.682 1.00 0.00 N ATOM 946 CA VAL A 66 73.797 4.047 -4.420 1.00 0.00 C ATOM 947 C VAL A 66 75.028 3.608 -3.626 1.00 0.00 C ATOM 948 O VAL A 66 75.023 2.575 -2.985 1.00 0.00 O ATOM 949 CB VAL A 66 72.521 3.714 -3.643 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.297 4.082 -4.482 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.496 2.215 -3.334 1.00 0.00 C ATOM 0 H VAL A 66 73.121 2.418 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 66 73.896 5.116 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 66 72.503 4.281 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.390 3.844 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.316 5.149 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.311 3.516 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.589 1.973 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.514 1.651 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.368 1.952 -2.735 1.00 0.00 H new ATOM 961 N SER A 67 76.080 4.381 -3.655 1.00 0.00 N ATOM 962 CA SER A 67 77.301 3.996 -2.889 1.00 0.00 C ATOM 963 C SER A 67 76.893 3.495 -1.505 1.00 0.00 C ATOM 964 O SER A 67 75.830 3.811 -1.018 1.00 0.00 O ATOM 965 CB SER A 67 78.126 5.276 -2.778 1.00 0.00 C ATOM 966 OG SER A 67 79.335 4.995 -2.085 1.00 0.00 O ATOM 0 H SER A 67 76.147 5.257 -4.173 1.00 0.00 H new ATOM 0 HA SER A 67 77.867 3.199 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 67 78.345 5.669 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.560 6.043 -2.249 1.00 0.00 H new ATOM 0 HG SER A 67 79.869 5.814 -2.013 1.00 0.00 H new ATOM 972 N ASP A 68 77.717 2.712 -0.870 1.00 0.00 N ATOM 973 CA ASP A 68 77.352 2.191 0.480 1.00 0.00 C ATOM 974 C ASP A 68 76.725 3.300 1.332 1.00 0.00 C ATOM 975 O ASP A 68 75.697 3.111 1.953 1.00 0.00 O ATOM 976 CB ASP A 68 78.671 1.721 1.094 1.00 0.00 C ATOM 977 CG ASP A 68 78.905 0.251 0.740 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.307 -0.595 1.385 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.676 -0.003 -0.171 1.00 0.00 O ATOM 0 H ASP A 68 78.625 2.410 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 68 76.618 1.387 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.495 2.331 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.645 1.845 2.177 1.00 0.00 H new ATOM 984 N ASP A 69 77.333 4.452 1.368 1.00 0.00 N ATOM 985 CA ASP A 69 76.769 5.567 2.184 1.00 0.00 C ATOM 986 C ASP A 69 75.352 5.911 1.714 1.00 0.00 C ATOM 987 O ASP A 69 74.468 6.160 2.509 1.00 0.00 O ATOM 988 CB ASP A 69 77.716 6.745 1.947 1.00 0.00 C ATOM 989 CG ASP A 69 77.305 7.919 2.839 1.00 0.00 C ATOM 990 OD1 ASP A 69 76.682 7.672 3.859 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.623 9.044 2.489 1.00 0.00 O ATOM 0 H ASP A 69 78.195 4.672 0.869 1.00 0.00 H new ATOM 0 HA ASP A 69 76.694 5.308 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.742 6.450 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.687 7.043 0.899 1.00 0.00 H new ATOM 996 N GLU A 70 75.129 5.936 0.428 1.00 0.00 N ATOM 997 CA GLU A 70 73.770 6.274 -0.087 1.00 0.00 C ATOM 998 C GLU A 70 72.756 5.197 0.306 1.00 0.00 C ATOM 999 O GLU A 70 71.628 5.490 0.650 1.00 0.00 O ATOM 1000 CB GLU A 70 73.926 6.339 -1.605 1.00 0.00 C ATOM 1001 CG GLU A 70 74.497 7.701 -2.000 1.00 0.00 C ATOM 1002 CD GLU A 70 75.089 7.622 -3.408 1.00 0.00 C ATOM 1003 OE1 GLU A 70 74.335 7.369 -4.333 1.00 0.00 O ATOM 1004 OE2 GLU A 70 76.286 7.818 -3.537 1.00 0.00 O ATOM 0 H GLU A 70 75.828 5.737 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 70 73.400 7.212 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.586 5.542 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.961 6.183 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.714 8.458 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.265 8.005 -1.288 1.00 0.00 H new ATOM 1011 N ALA A 71 73.146 3.955 0.267 1.00 0.00 N ATOM 1012 CA ALA A 71 72.199 2.872 0.648 1.00 0.00 C ATOM 1013 C ALA A 71 71.952 2.924 2.155 1.00 0.00 C ATOM 1014 O ALA A 71 70.968 2.414 2.655 1.00 0.00 O ATOM 1015 CB ALA A 71 72.903 1.572 0.259 1.00 0.00 C ATOM 0 H ALA A 71 74.076 3.643 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 71 71.231 2.964 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.266 0.724 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.102 1.572 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.844 1.491 0.803 1.00 0.00 H new ATOM 1021 N GLN A 72 72.836 3.554 2.880 1.00 0.00 N ATOM 1022 CA GLN A 72 72.657 3.664 4.351 1.00 0.00 C ATOM 1023 C GLN A 72 71.544 4.662 4.639 1.00 0.00 C ATOM 1024 O GLN A 72 70.623 4.390 5.384 1.00 0.00 O ATOM 1025 CB GLN A 72 73.995 4.178 4.879 1.00 0.00 C ATOM 1026 CG GLN A 72 74.232 3.622 6.281 1.00 0.00 C ATOM 1027 CD GLN A 72 74.878 4.698 7.157 1.00 0.00 C ATOM 1028 OE1 GLN A 72 74.382 5.012 8.221 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.974 5.280 6.754 1.00 0.00 N ATOM 0 H GLN A 72 73.677 3.998 2.513 1.00 0.00 H new ATOM 0 HA GLN A 72 72.384 2.719 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.803 3.874 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.995 5.268 4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.288 3.300 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 72 74.876 2.744 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.392 5.018 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 72 76.413 5.997 7.332 1.00 0.00 H new ATOM 1038 N THR A 73 71.609 5.809 4.026 1.00 0.00 N ATOM 1039 CA THR A 73 70.540 6.819 4.237 1.00 0.00 C ATOM 1040 C THR A 73 69.253 6.294 3.605 1.00 0.00 C ATOM 1041 O THR A 73 68.160 6.600 4.037 1.00 0.00 O ATOM 1042 CB THR A 73 71.024 8.083 3.522 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.444 8.076 3.453 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.558 9.317 4.297 1.00 0.00 C ATOM 0 H THR A 73 72.355 6.090 3.389 1.00 0.00 H new ATOM 0 HA THR A 73 70.342 7.023 5.289 1.00 0.00 H new ATOM 0 HB THR A 73 70.612 8.109 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.753 8.885 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.902 10.218 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.469 9.324 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.970 9.290 5.306 1.00 0.00 H new ATOM 1052 N LEU A 74 69.386 5.477 2.594 1.00 0.00 N ATOM 1053 CA LEU A 74 68.181 4.897 1.938 1.00 0.00 C ATOM 1054 C LEU A 74 67.524 3.905 2.897 1.00 0.00 C ATOM 1055 O LEU A 74 66.315 3.794 2.965 1.00 0.00 O ATOM 1056 CB LEU A 74 68.710 4.175 0.693 1.00 0.00 C ATOM 1057 CG LEU A 74 69.048 5.205 -0.386 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.780 4.514 -1.539 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.755 5.833 -0.908 1.00 0.00 C ATOM 0 H LEU A 74 70.279 5.187 2.195 1.00 0.00 H new ATOM 0 HA LEU A 74 67.436 5.648 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.596 3.593 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.963 3.474 0.321 1.00 0.00 H new ATOM 0 HG LEU A 74 69.687 5.981 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 74 70.021 5.247 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.700 4.062 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.141 3.740 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.992 6.568 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 74 67.119 5.056 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.231 6.323 -0.087 1.00 0.00 H new ATOM 1071 N ALA A 75 68.318 3.192 3.650 1.00 0.00 N ATOM 1072 CA ALA A 75 67.752 2.215 4.622 1.00 0.00 C ATOM 1073 C ALA A 75 67.014 2.966 5.729 1.00 0.00 C ATOM 1074 O ALA A 75 65.858 2.711 6.002 1.00 0.00 O ATOM 1075 CB ALA A 75 68.963 1.472 5.188 1.00 0.00 C ATOM 0 H ALA A 75 69.336 3.245 3.633 1.00 0.00 H new ATOM 0 HA ALA A 75 67.039 1.530 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.629 0.732 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.494 0.972 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.631 2.183 5.675 1.00 0.00 H new ATOM 1081 N LYS A 76 67.669 3.903 6.362 1.00 0.00 N ATOM 1082 CA LYS A 76 66.993 4.678 7.438 1.00 0.00 C ATOM 1083 C LYS A 76 65.809 5.434 6.840 1.00 0.00 C ATOM 1084 O LYS A 76 64.859 5.770 7.520 1.00 0.00 O ATOM 1085 CB LYS A 76 68.051 5.652 7.958 1.00 0.00 C ATOM 1086 CG LYS A 76 68.971 4.930 8.946 1.00 0.00 C ATOM 1087 CD LYS A 76 70.258 5.737 9.127 1.00 0.00 C ATOM 1088 CE LYS A 76 70.426 6.107 10.602 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.892 6.035 10.852 1.00 0.00 N ATOM 0 H LYS A 76 68.638 4.163 6.180 1.00 0.00 H new ATOM 0 HA LYS A 76 66.610 4.046 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.633 6.050 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.571 6.500 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.468 4.808 9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.204 3.931 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 76 71.115 5.156 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 76 70.223 6.639 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.039 7.106 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 76 69.881 5.417 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.087 6.276 11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 72.230 5.071 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 72.384 6.707 10.229 1.00 0.00 H new ATOM 1103 N TRP A 77 65.859 5.694 5.561 1.00 0.00 N ATOM 1104 CA TRP A 77 64.739 6.416 4.898 1.00 0.00 C ATOM 1105 C TRP A 77 63.525 5.491 4.791 1.00 0.00 C ATOM 1106 O TRP A 77 62.394 5.918 4.907 1.00 0.00 O ATOM 1107 CB TRP A 77 65.269 6.772 3.509 1.00 0.00 C ATOM 1108 CG TRP A 77 64.153 7.302 2.668 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.510 8.472 2.879 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.538 6.703 1.491 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.539 8.630 1.907 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.518 7.567 1.029 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.764 5.507 0.787 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.750 7.257 -0.093 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.993 5.191 -0.344 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.988 6.065 -0.782 1.00 0.00 C ATOM 0 H TRP A 77 66.631 5.436 4.946 1.00 0.00 H new ATOM 0 HA TRP A 77 64.423 7.302 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.061 7.516 3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.706 5.891 3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.720 9.169 3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.915 9.434 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.535 4.827 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.977 7.933 -0.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 63.175 4.270 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.398 5.817 -1.652 1.00 0.00 H new ATOM 1127 N ILE A 78 63.755 4.225 4.573 1.00 0.00 N ATOM 1128 CA ILE A 78 62.619 3.267 4.463 1.00 0.00 C ATOM 1129 C ILE A 78 62.032 2.986 5.849 1.00 0.00 C ATOM 1130 O ILE A 78 60.834 2.869 6.015 1.00 0.00 O ATOM 1131 CB ILE A 78 63.229 1.993 3.873 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.597 2.230 2.405 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.212 0.855 3.962 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.916 1.525 2.088 1.00 0.00 C ATOM 0 H ILE A 78 64.682 3.812 4.466 1.00 0.00 H new ATOM 0 HA ILE A 78 61.809 3.655 3.845 1.00 0.00 H new ATOM 0 HB ILE A 78 64.126 1.729 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.806 1.854 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.688 3.299 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.645 -0.053 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.949 0.683 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.316 1.123 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.177 1.694 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.704 1.922 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.809 0.455 2.267 1.00 0.00 H new ATOM 1146 N LEU A 79 62.870 2.875 6.844 1.00 0.00 N ATOM 1147 CA LEU A 79 62.364 2.600 8.220 1.00 0.00 C ATOM 1148 C LEU A 79 61.718 3.857 8.810 1.00 0.00 C ATOM 1149 O LEU A 79 61.057 3.805 9.828 1.00 0.00 O ATOM 1150 CB LEU A 79 63.603 2.207 9.027 1.00 0.00 C ATOM 1151 CG LEU A 79 64.081 0.821 8.593 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.610 0.791 8.575 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.564 -0.229 9.581 1.00 0.00 C ATOM 0 H LEU A 79 63.883 2.963 6.764 1.00 0.00 H new ATOM 0 HA LEU A 79 61.604 1.818 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.395 2.940 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.370 2.205 10.092 1.00 0.00 H new ATOM 0 HG LEU A 79 63.701 0.602 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.951 -0.197 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.980 1.539 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.990 1.010 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.904 -1.218 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.945 -0.009 10.578 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.474 -0.209 9.596 1.00 0.00 H new ATOM 1165 N SER A 80 61.907 4.985 8.183 1.00 0.00 N ATOM 1166 CA SER A 80 61.307 6.243 8.714 1.00 0.00 C ATOM 1167 C SER A 80 59.927 6.480 8.094 1.00 0.00 C ATOM 1168 O SER A 80 59.091 7.154 8.660 1.00 0.00 O ATOM 1169 CB SER A 80 62.278 7.349 8.302 1.00 0.00 C ATOM 1170 OG SER A 80 62.079 7.662 6.930 1.00 0.00 O ATOM 0 H SER A 80 62.450 5.091 7.326 1.00 0.00 H new ATOM 0 HA SER A 80 61.164 6.206 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 80 62.119 8.236 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.306 7.027 8.468 1.00 0.00 H new ATOM 0 HG SER A 80 62.129 6.841 6.397 1.00 0.00 H new ATOM 1176 N GLN A 81 59.680 5.931 6.936 1.00 0.00 N ATOM 1177 CA GLN A 81 58.350 6.133 6.290 1.00 0.00 C ATOM 1178 C GLN A 81 57.230 5.688 7.234 1.00 0.00 C ATOM 1179 O GLN A 81 57.220 4.574 7.720 1.00 0.00 O ATOM 1180 CB GLN A 81 58.378 5.258 5.038 1.00 0.00 C ATOM 1181 CG GLN A 81 59.366 5.844 4.029 1.00 0.00 C ATOM 1182 CD GLN A 81 59.056 7.326 3.813 1.00 0.00 C ATOM 1183 OE1 GLN A 81 57.908 7.724 3.804 1.00 0.00 O ATOM 1184 NE2 GLN A 81 60.039 8.166 3.637 1.00 0.00 N ATOM 0 H GLN A 81 60.337 5.354 6.411 1.00 0.00 H new ATOM 0 HA GLN A 81 58.164 7.180 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.669 4.240 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.382 5.202 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 81 60.387 5.724 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 81 59.299 5.306 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 81 61.003 7.832 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 81 59.844 9.157 3.492 1.00 0.00 H new ATOM 1193 N LYS A 82 56.286 6.550 7.495 1.00 0.00 N ATOM 1194 CA LYS A 82 55.168 6.180 8.408 1.00 0.00 C ATOM 1195 C LYS A 82 54.178 7.343 8.528 1.00 0.00 C ATOM 1196 O LYS A 82 54.603 8.475 8.367 1.00 0.00 O ATOM 1197 CB LYS A 82 55.834 5.901 9.755 1.00 0.00 C ATOM 1198 CG LYS A 82 54.760 5.679 10.823 1.00 0.00 C ATOM 1199 CD LYS A 82 54.714 4.198 11.201 1.00 0.00 C ATOM 1200 CE LYS A 82 55.757 3.916 12.285 1.00 0.00 C ATOM 1201 NZ LYS A 82 55.165 4.461 13.539 1.00 0.00 N ATOM 1202 OXT LYS A 82 53.013 7.080 8.779 1.00 0.00 O ATOM 0 H LYS A 82 56.241 7.495 7.115 1.00 0.00 H new ATOM 0 HA LYS A 82 54.605 5.320 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 82 56.474 5.022 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 82 56.473 6.738 10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 82 54.978 6.283 11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 82 53.788 6.000 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 82 53.719 3.934 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 82 54.910 3.581 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 82 55.955 2.848 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 82 56.707 4.399 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 55.813 5.162 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 54.255 4.916 13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 55.014 3.687 14.217 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.718 -1.469 -3.657 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.081 -4.113 -1.667 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.300 0.104 -1.100 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.635 0.988 -5.759 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.037 -2.981 -6.160 1.00 0.00 C HETATM 1222 NA HEM A 83 64.118 -1.915 -1.807 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.875 -3.109 -1.176 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.563 -3.195 0.073 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.102 -1.974 0.298 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.820 -1.176 -0.878 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.882 -1.536 1.524 1.00 0.00 C HETATM 1228 CAA HEM A 83 64.818 -4.502 0.805 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.341 -5.574 -0.162 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.464 -6.364 0.513 1.00 0.00 C HETATM 1231 O1A HEM A 83 66.906 -7.342 -0.068 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.861 -5.980 1.601 1.00 0.00 O HETATM 1233 NB HEM A 83 64.707 0.200 -3.459 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.261 0.747 -2.320 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.893 2.025 -2.606 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.724 2.231 -3.933 1.00 0.00 C HETATM 1237 C4B HEM A 83 65.001 1.107 -4.442 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.619 2.931 -1.623 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.176 3.380 -4.827 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.648 3.247 -5.218 1.00 0.00 C HETATM 1241 NC HEM A 83 63.438 -1.096 -5.551 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.910 -0.039 -6.288 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.471 -0.103 -7.665 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.715 -1.213 -7.747 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.714 -1.825 -6.452 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.759 0.905 -8.768 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.805 -1.692 -8.867 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.551 -1.862 -10.192 1.00 0.00 C HETATM 1249 ND HEM A 83 62.705 -3.136 -3.844 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.020 -3.591 -4.940 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.357 -4.844 -4.678 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.660 -5.179 -3.409 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.506 -4.120 -2.907 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.488 -5.624 -5.649 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.194 -6.418 -2.654 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.147 -7.601 -2.863 1.00 0.00 C HETATM 1257 CGD HEM A 83 61.381 -8.776 -3.473 1.00 0.00 C HETATM 1258 O1D HEM A 83 60.308 -8.546 -4.006 1.00 0.00 O HETATM 1259 O2D HEM A 83 61.879 -9.887 -3.395 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.628 -0.796 1.235 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.380 -2.399 1.966 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 65.199 -1.098 2.252 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.398 3.486 -2.146 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 67.071 2.327 -0.836 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.910 3.631 -1.181 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.789 0.393 -9.730 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 64.721 1.383 -8.582 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 62.974 1.661 -8.784 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.561 -6.689 -5.428 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.827 -5.441 -6.669 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 59.451 -5.303 -5.548 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.112 3.998 -5.857 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.233 2.401 -4.858 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 62.016 -2.201 -11.079 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.617 -1.644 -10.249 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 65.709 -5.107 -1.076 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.532 -6.245 -0.450 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 63.897 -4.847 1.274 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.542 -4.342 1.604 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 62.589 -7.897 -1.912 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 62.967 -7.309 -3.519 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.194 -6.693 -2.988 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.124 -6.191 -1.590 1.00 0.00 H new HETATM 0 HHA HEM A 83 62.896 -4.962 -1.026 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.733 0.633 -0.264 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.947 1.773 -6.433 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.474 -3.444 -6.957 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.529 4.196 -5.148 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.741 -1.892 -8.740 1.00 0.00 H new