USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 45 HIS : no HE2:sc= 1.64 K(o=2.8,f=-7.1!) USER MOD Set 1.2: A 49 GLN : amide:sc= 1.19 K(o=2.8,f=-0.41) USER MOD Set 1.3: A 57 ASN : amide:sc= -0.0245 K(o=2.8,f=-0.28) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.968 K(o=0.12,f=-4.4!) USER MOD Set 2.2: A 20 SER OG : rot 22:sc= 1.09 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 13 GLN : amide:sc= 0.847 K(o=0.85,f=-0.08) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 2.09 (180deg=2.04) USER MOD Single : A 16 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.7) USER MOD Single : A 17 ASN : amide:sc= 0.112 K(o=0.11,f=-3.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 1.05 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 46:sc= 1.13 USER MOD Single : A 26 HIS : no HE2:sc= -0.0513 K(o=-0.051,f=-5.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.06) USER MOD Single : A 30 TYR OH : rot 20:sc= 0.914 USER MOD Single : A 33 THR OG1 : rot 118:sc= 2.11 USER MOD Single : A 34 LYS NZ :NH3+ -130:sc= 0.745 (180deg=-1.13) USER MOD Single : A 55 THR OG1 : rot 37:sc= 1.44 USER MOD Single : A 64 SER OG : rot -75:sc= 1.82 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 71 SER OG : rot -64:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 1.01 (180deg=0.364) USER MOD Single : A 73 THR OG1 : rot -41:sc= 0.154 USER MOD Single : A 80 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-8.4!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0668 (180deg=-0.674) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.58 (180deg=-3.34) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -2.3! (180deg=-2.66!) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.896 (180deg=-0.896) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.927 1.139 -19.703 1.00 0.00 N ATOM 2 CA ALA A 3 1.344 0.085 -18.840 1.00 0.00 C ATOM 3 C ALA A 3 1.837 0.242 -17.395 1.00 0.00 C ATOM 4 O ALA A 3 2.456 1.258 -17.096 1.00 0.00 O ATOM 5 CB ALA A 3 -0.187 0.114 -18.915 1.00 0.00 C ATOM 0 HA ALA A 3 1.676 -0.888 -19.202 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.597 -0.667 -18.275 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.549 1.086 -18.580 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.504 -0.056 -19.944 1.00 0.00 H new ATOM 13 N VAL A 4 1.593 -0.750 -16.535 1.00 0.00 N ATOM 14 CA VAL A 4 2.132 -0.828 -15.175 1.00 0.00 C ATOM 15 C VAL A 4 2.686 -2.240 -14.938 1.00 0.00 C ATOM 16 O VAL A 4 2.326 -3.165 -15.662 1.00 0.00 O ATOM 17 CB VAL A 4 1.058 -0.464 -14.131 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.550 0.969 -14.326 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.133 -1.431 -14.143 1.00 0.00 C ATOM 0 H VAL A 4 0.998 -1.544 -16.772 1.00 0.00 H new ATOM 0 HA VAL A 4 2.940 -0.105 -15.064 1.00 0.00 H new ATOM 0 HB VAL A 4 1.549 -0.546 -13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.206 1.193 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.381 1.667 -14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.113 1.068 -15.320 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.857 -1.126 -13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.605 -1.415 -15.126 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.216 -2.440 -13.924 1.00 0.00 H new ATOM 29 N LYS A 5 3.560 -2.412 -13.941 1.00 0.00 N ATOM 30 CA LYS A 5 4.158 -3.713 -13.644 1.00 0.00 C ATOM 31 C LYS A 5 3.169 -4.726 -13.081 1.00 0.00 C ATOM 32 O LYS A 5 3.244 -5.889 -13.466 1.00 0.00 O ATOM 33 CB LYS A 5 5.396 -3.537 -12.749 1.00 0.00 C ATOM 34 CG LYS A 5 5.907 -4.899 -12.260 1.00 0.00 C ATOM 35 CD LYS A 5 7.347 -4.841 -11.741 1.00 0.00 C ATOM 36 CE LYS A 5 7.730 -6.229 -11.205 1.00 0.00 C ATOM 37 NZ LYS A 5 9.102 -6.249 -10.657 1.00 0.00 N ATOM 0 H LYS A 5 3.869 -1.661 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 5 4.479 -4.143 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.183 -3.025 -13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.147 -2.908 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.254 -5.263 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.849 -5.618 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.026 -4.543 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.435 -4.093 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.025 -6.526 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.649 -6.963 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.322 -7.203 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.778 -5.991 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.173 -5.567 -9.875 1.00 0.00 H new ATOM 47 N TYR A 6 2.294 -4.287 -12.170 1.00 0.00 N ATOM 48 CA TYR A 6 1.403 -5.144 -11.388 1.00 0.00 C ATOM 49 C TYR A 6 2.195 -6.040 -10.421 1.00 0.00 C ATOM 50 O TYR A 6 3.301 -6.489 -10.713 1.00 0.00 O ATOM 51 CB TYR A 6 0.503 -6.003 -12.294 1.00 0.00 C ATOM 52 CG TYR A 6 -0.285 -5.300 -13.393 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.588 -4.827 -13.151 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.214 -5.289 -14.712 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.344 -4.267 -14.195 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.554 -4.753 -15.759 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.827 -4.231 -15.497 1.00 0.00 C ATOM 58 OH TYR A 6 -2.577 -3.725 -16.512 1.00 0.00 O ATOM 0 H TYR A 6 2.185 -3.297 -11.952 1.00 0.00 H new ATOM 0 HA TYR A 6 0.763 -4.485 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.129 -6.761 -12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.208 -6.528 -11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.009 -4.895 -12.159 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.193 -5.695 -14.919 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.325 -3.864 -13.993 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.163 -4.743 -16.766 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.070 -3.773 -17.349 1.00 0.00 H new ATOM 67 N TYR A 7 1.632 -6.290 -9.242 1.00 0.00 N ATOM 68 CA TYR A 7 2.220 -7.161 -8.240 1.00 0.00 C ATOM 69 C TYR A 7 1.111 -8.002 -7.613 1.00 0.00 C ATOM 70 O TYR A 7 0.128 -7.463 -7.114 1.00 0.00 O ATOM 71 CB TYR A 7 2.996 -6.343 -7.202 1.00 0.00 C ATOM 72 CG TYR A 7 4.033 -5.404 -7.784 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.664 -4.112 -8.206 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.375 -5.808 -7.870 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.649 -3.220 -8.663 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.370 -4.860 -8.160 1.00 0.00 C ATOM 77 CZ TYR A 7 6.003 -3.559 -8.536 1.00 0.00 C ATOM 78 OH TYR A 7 6.963 -2.634 -8.803 1.00 0.00 O ATOM 0 H TYR A 7 0.741 -5.885 -8.956 1.00 0.00 H new ATOM 0 HA TYR A 7 2.943 -7.835 -8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.287 -5.760 -6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.491 -7.029 -6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.628 -3.808 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.641 -6.843 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.364 -2.279 -9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.413 -5.131 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 7 7.848 -3.032 -8.665 1.00 0.00 H new ATOM 87 N THR A 8 1.254 -9.324 -7.676 1.00 0.00 N ATOM 88 CA THR A 8 0.288 -10.260 -7.116 1.00 0.00 C ATOM 89 C THR A 8 0.387 -10.232 -5.599 1.00 0.00 C ATOM 90 O THR A 8 1.466 -10.059 -5.037 1.00 0.00 O ATOM 91 CB THR A 8 0.565 -11.665 -7.661 1.00 0.00 C ATOM 92 OG1 THR A 8 1.957 -11.921 -7.622 1.00 0.00 O ATOM 93 CG2 THR A 8 0.114 -11.770 -9.118 1.00 0.00 C ATOM 0 H THR A 8 2.052 -9.777 -8.122 1.00 0.00 H new ATOM 0 HA THR A 8 -0.724 -9.975 -7.403 1.00 0.00 H new ATOM 0 HB THR A 8 0.019 -12.383 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.134 -12.820 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.318 -12.774 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.955 -11.569 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.658 -11.042 -9.721 1.00 0.00 H new ATOM 101 N LEU A 9 -0.745 -10.414 -4.937 1.00 0.00 N ATOM 102 CA LEU A 9 -0.924 -10.403 -3.498 1.00 0.00 C ATOM 103 C LEU A 9 0.031 -11.349 -2.774 1.00 0.00 C ATOM 104 O LEU A 9 0.352 -11.099 -1.625 1.00 0.00 O ATOM 105 CB LEU A 9 -2.346 -10.838 -3.244 1.00 0.00 C ATOM 106 CG LEU A 9 -2.906 -10.593 -1.834 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.136 -9.105 -1.555 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.239 -11.338 -1.710 1.00 0.00 C ATOM 0 H LEU A 9 -1.623 -10.585 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.713 -9.404 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.990 -10.326 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.418 -11.905 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.178 -10.955 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.532 -8.981 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.191 -8.568 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.848 -8.705 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.654 -11.177 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.936 -10.963 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.076 -12.404 -1.867 1.00 0.00 H new ATOM 119 N GLU A 10 0.477 -12.436 -3.414 1.00 0.00 N ATOM 120 CA GLU A 10 1.603 -13.209 -2.877 1.00 0.00 C ATOM 121 C GLU A 10 2.750 -12.236 -2.566 1.00 0.00 C ATOM 122 O GLU A 10 3.237 -12.141 -1.441 1.00 0.00 O ATOM 123 CB GLU A 10 2.081 -14.302 -3.862 1.00 0.00 C ATOM 124 CG GLU A 10 3.586 -14.570 -3.621 1.00 0.00 C ATOM 125 CD GLU A 10 4.186 -15.866 -4.137 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.432 -16.711 -4.657 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.425 -15.962 -3.966 1.00 0.00 O ATOM 0 H GLU A 10 0.086 -12.795 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 10 1.277 -13.722 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.507 -15.217 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.915 -13.981 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.144 -13.747 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.761 -14.529 -2.546 1.00 0.00 H new ATOM 132 N GLU A 11 3.164 -11.496 -3.591 1.00 0.00 N ATOM 133 CA GLU A 11 4.232 -10.527 -3.511 1.00 0.00 C ATOM 134 C GLU A 11 3.852 -9.451 -2.526 1.00 0.00 C ATOM 135 O GLU A 11 4.569 -9.237 -1.559 1.00 0.00 O ATOM 136 CB GLU A 11 4.596 -9.980 -4.905 1.00 0.00 C ATOM 137 CG GLU A 11 6.123 -9.826 -5.046 1.00 0.00 C ATOM 138 CD GLU A 11 6.871 -11.147 -4.881 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.290 -12.200 -5.225 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.993 -11.137 -4.337 1.00 0.00 O ATOM 0 H GLU A 11 2.749 -11.562 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 11 5.140 -11.005 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.220 -10.654 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.112 -9.016 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.352 -9.405 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.482 -9.116 -4.301 1.00 0.00 H new ATOM 145 N ILE A 12 2.677 -8.849 -2.689 1.00 0.00 N ATOM 146 CA ILE A 12 2.229 -7.850 -1.729 1.00 0.00 C ATOM 147 C ILE A 12 2.338 -8.359 -0.286 1.00 0.00 C ATOM 148 O ILE A 12 2.914 -7.677 0.560 1.00 0.00 O ATOM 149 CB ILE A 12 0.841 -7.276 -2.071 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.602 -7.035 -3.575 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.685 -5.924 -1.377 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.844 -6.639 -3.877 1.00 0.00 C ATOM 0 H ILE A 12 2.032 -9.031 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 12 2.913 -7.005 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 12 0.121 -8.023 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.272 -6.250 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.852 -7.939 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.294 -5.506 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.775 -6.056 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.462 -5.244 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.961 -6.480 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.515 -7.435 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.088 -5.719 -3.345 1.00 0.00 H new ATOM 163 N GLN A 13 1.929 -9.603 -0.024 1.00 0.00 N ATOM 164 CA GLN A 13 2.088 -10.187 1.310 1.00 0.00 C ATOM 165 C GLN A 13 3.540 -10.232 1.788 1.00 0.00 C ATOM 166 O GLN A 13 3.806 -10.120 2.983 1.00 0.00 O ATOM 167 CB GLN A 13 1.514 -11.605 1.347 1.00 0.00 C ATOM 168 CG GLN A 13 -0.006 -11.619 1.557 1.00 0.00 C ATOM 169 CD GLN A 13 -0.428 -11.168 2.951 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.447 -11.954 3.890 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.790 -9.903 3.110 1.00 0.00 N ATOM 0 H GLN A 13 1.490 -10.219 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 13 1.540 -9.531 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.753 -12.115 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.993 -12.167 2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.474 -10.971 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.381 -12.627 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.768 -9.263 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.091 -9.570 4.026 1.00 0.00 H new ATOM 178 N LYS A 14 4.486 -10.416 0.867 1.00 0.00 N ATOM 179 CA LYS A 14 5.892 -10.574 1.189 1.00 0.00 C ATOM 180 C LYS A 14 6.538 -9.212 1.530 1.00 0.00 C ATOM 181 O LYS A 14 7.652 -9.171 2.053 1.00 0.00 O ATOM 182 CB LYS A 14 6.569 -11.320 0.021 1.00 0.00 C ATOM 183 CG LYS A 14 6.229 -12.824 0.045 1.00 0.00 C ATOM 184 CD LYS A 14 6.139 -13.479 -1.347 1.00 0.00 C ATOM 185 CE LYS A 14 7.436 -13.548 -2.157 1.00 0.00 C ATOM 186 NZ LYS A 14 7.155 -14.008 -3.539 1.00 0.00 N ATOM 0 H LYS A 14 4.289 -10.459 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 14 6.025 -11.175 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.246 -10.887 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.649 -11.188 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.986 -13.346 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.278 -12.961 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.761 -14.494 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.400 -12.933 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.910 -12.567 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.138 -14.229 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.038 -14.018 -4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.754 -14.967 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.475 -13.362 -3.989 1.00 0.00 H new ATOM 196 N HIS A 15 5.829 -8.098 1.284 1.00 0.00 N ATOM 197 CA HIS A 15 6.220 -6.743 1.665 1.00 0.00 C ATOM 198 C HIS A 15 5.250 -6.158 2.703 1.00 0.00 C ATOM 199 O HIS A 15 4.347 -5.390 2.377 1.00 0.00 O ATOM 200 CB HIS A 15 6.251 -5.864 0.418 1.00 0.00 C ATOM 201 CG HIS A 15 7.219 -6.303 -0.656 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.529 -5.905 -0.854 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.874 -7.097 -1.712 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.951 -6.470 -1.998 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.980 -7.206 -2.557 1.00 0.00 N ATOM 0 H HIS A 15 4.934 -8.124 0.795 1.00 0.00 H new ATOM 0 HA HIS A 15 7.211 -6.776 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.249 -5.833 -0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.502 -4.846 0.717 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.911 -7.561 -1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.941 -6.347 -2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.038 -7.739 -3.425 1.00 0.00 H new ATOM 212 N ASN A 16 5.465 -6.491 3.975 1.00 0.00 N ATOM 213 CA ASN A 16 4.607 -6.064 5.080 1.00 0.00 C ATOM 214 C ASN A 16 5.374 -5.705 6.361 1.00 0.00 C ATOM 215 O ASN A 16 4.845 -5.860 7.461 1.00 0.00 O ATOM 216 CB ASN A 16 3.564 -7.157 5.337 1.00 0.00 C ATOM 217 CG ASN A 16 4.163 -8.439 5.910 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.376 -8.621 5.961 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.316 -9.353 6.358 1.00 0.00 N ATOM 0 H ASN A 16 6.249 -7.072 4.271 1.00 0.00 H new ATOM 0 HA ASN A 16 4.119 -5.136 4.783 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.811 -6.776 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.053 -7.389 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.668 -10.225 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.311 -9.185 6.308 1.00 0.00 H new ATOM 225 N ASN A 17 6.622 -5.236 6.251 1.00 0.00 N ATOM 226 CA ASN A 17 7.393 -4.860 7.430 1.00 0.00 C ATOM 227 C ASN A 17 8.402 -3.730 7.138 1.00 0.00 C ATOM 228 O ASN A 17 8.287 -3.029 6.136 1.00 0.00 O ATOM 229 CB ASN A 17 7.996 -6.140 8.039 1.00 0.00 C ATOM 230 CG ASN A 17 8.292 -5.971 9.519 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.409 -5.633 9.890 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.292 -6.128 10.370 1.00 0.00 N ATOM 0 H ASN A 17 7.111 -5.110 5.365 1.00 0.00 H new ATOM 0 HA ASN A 17 6.746 -4.414 8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.305 -6.971 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.914 -6.397 7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.440 -5.967 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.373 -6.410 10.030 1.00 0.00 H new ATOM 238 N SER A 18 9.418 -3.552 7.986 1.00 0.00 N ATOM 239 CA SER A 18 10.437 -2.505 7.825 1.00 0.00 C ATOM 240 C SER A 18 11.246 -2.813 6.560 1.00 0.00 C ATOM 241 O SER A 18 11.690 -1.933 5.833 1.00 0.00 O ATOM 242 CB SER A 18 11.290 -2.410 9.095 1.00 0.00 C ATOM 243 OG SER A 18 10.445 -2.177 10.215 1.00 0.00 O ATOM 0 H SER A 18 9.560 -4.134 8.811 1.00 0.00 H new ATOM 0 HA SER A 18 9.985 -1.522 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.855 -3.332 9.237 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.016 -1.603 8.999 1.00 0.00 H new ATOM 0 HG SER A 18 10.989 -2.118 11.028 1.00 0.00 H new ATOM 248 N LYS A 19 11.364 -4.119 6.314 1.00 0.00 N ATOM 249 CA LYS A 19 11.727 -4.785 5.078 1.00 0.00 C ATOM 250 C LYS A 19 11.270 -4.013 3.826 1.00 0.00 C ATOM 251 O LYS A 19 12.032 -3.813 2.885 1.00 0.00 O ATOM 252 CB LYS A 19 10.892 -6.080 5.132 1.00 0.00 C ATOM 253 CG LYS A 19 11.548 -7.287 5.799 1.00 0.00 C ATOM 254 CD LYS A 19 12.741 -7.862 5.014 1.00 0.00 C ATOM 255 CE LYS A 19 12.382 -8.200 3.558 1.00 0.00 C ATOM 256 NZ LYS A 19 13.481 -8.915 2.873 1.00 0.00 N ATOM 0 H LYS A 19 11.188 -4.798 7.055 1.00 0.00 H new ATOM 0 HA LYS A 19 12.808 -4.905 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.961 -5.864 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.626 -6.357 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.885 -7.000 6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.800 -8.069 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.559 -7.142 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.101 -8.761 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.481 -8.814 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.153 -7.282 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.201 -9.125 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.333 -8.319 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.682 -9.804 3.374 1.00 0.00 H new ATOM 266 N SER A 20 9.975 -3.692 3.817 1.00 0.00 N ATOM 267 CA SER A 20 9.151 -3.161 2.737 1.00 0.00 C ATOM 268 C SER A 20 7.720 -3.174 3.275 1.00 0.00 C ATOM 269 O SER A 20 7.274 -4.234 3.714 1.00 0.00 O ATOM 270 CB SER A 20 9.133 -4.077 1.508 1.00 0.00 C ATOM 271 OG SER A 20 10.342 -4.181 0.787 1.00 0.00 O ATOM 0 H SER A 20 9.419 -3.813 4.664 1.00 0.00 H new ATOM 0 HA SER A 20 9.536 -2.184 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.840 -5.076 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.359 -3.722 0.828 1.00 0.00 H new ATOM 0 HG SER A 20 11.091 -3.928 1.366 1.00 0.00 H new ATOM 276 N THR A 21 7.004 -2.054 3.256 1.00 0.00 N ATOM 277 CA THR A 21 5.610 -1.987 3.687 1.00 0.00 C ATOM 278 C THR A 21 4.740 -1.620 2.496 1.00 0.00 C ATOM 279 O THR A 21 4.626 -0.441 2.151 1.00 0.00 O ATOM 280 CB THR A 21 5.454 -1.002 4.856 1.00 0.00 C ATOM 281 OG1 THR A 21 5.918 -1.632 6.031 1.00 0.00 O ATOM 282 CG2 THR A 21 4.011 -0.550 5.087 1.00 0.00 C ATOM 0 H THR A 21 7.377 -1.159 2.939 1.00 0.00 H new ATOM 0 HA THR A 21 5.284 -2.959 4.056 1.00 0.00 H new ATOM 0 HB THR A 21 6.031 -0.112 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.775 -2.072 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.977 0.144 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.637 -0.054 4.191 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.389 -1.417 5.307 1.00 0.00 H new ATOM 290 N TRP A 22 4.143 -2.647 1.883 1.00 0.00 N ATOM 291 CA TRP A 22 3.159 -2.500 0.827 1.00 0.00 C ATOM 292 C TRP A 22 1.748 -2.444 1.348 1.00 0.00 C ATOM 293 O TRP A 22 1.471 -2.774 2.490 1.00 0.00 O ATOM 294 CB TRP A 22 3.345 -3.531 -0.297 1.00 0.00 C ATOM 295 CG TRP A 22 4.598 -3.473 -1.115 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.696 -2.732 -0.863 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.903 -4.219 -2.330 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.638 -2.946 -1.844 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.203 -3.856 -2.782 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.200 -5.153 -3.114 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.748 -4.381 -3.966 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.801 -5.801 -4.197 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.058 -5.391 -4.648 1.00 0.00 C ATOM 0 H TRP A 22 4.340 -3.620 2.118 1.00 0.00 H new ATOM 0 HA TRP A 22 3.342 -1.526 0.373 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.285 -4.524 0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.499 -3.436 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.818 -2.070 -0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.548 -2.486 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.171 -5.374 -2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.688 -4.010 -4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.293 -6.619 -4.686 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.497 -5.852 -5.521 1.00 0.00 H new ATOM 313 N LEU A 23 0.853 -1.958 0.504 1.00 0.00 N ATOM 314 CA LEU A 23 -0.548 -1.895 0.803 1.00 0.00 C ATOM 315 C LEU A 23 -1.360 -1.774 -0.485 1.00 0.00 C ATOM 316 O LEU A 23 -0.772 -1.519 -1.532 1.00 0.00 O ATOM 317 CB LEU A 23 -0.865 -0.764 1.788 1.00 0.00 C ATOM 318 CG LEU A 23 0.052 0.293 2.416 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.672 1.654 2.255 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.152 0.127 3.942 1.00 0.00 C ATOM 0 H LEU A 23 1.093 -1.594 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.835 -2.824 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.649 -0.187 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.325 -1.266 2.639 1.00 0.00 H new ATOM 0 HG LEU A 23 1.033 0.214 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.060 2.445 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.833 1.857 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.633 1.618 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.810 0.894 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.839 0.227 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.556 -0.858 4.175 1.00 0.00 H new ATOM 331 N ILE A 24 -2.689 -1.940 -0.408 1.00 0.00 N ATOM 332 CA ILE A 24 -3.594 -1.678 -1.531 1.00 0.00 C ATOM 333 C ILE A 24 -4.602 -0.593 -1.163 1.00 0.00 C ATOM 334 O ILE A 24 -5.365 -0.762 -0.211 1.00 0.00 O ATOM 335 CB ILE A 24 -4.327 -2.943 -2.031 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.356 -4.047 -2.465 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.282 -2.628 -3.190 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.960 -5.434 -2.221 1.00 0.00 C ATOM 0 H ILE A 24 -3.164 -2.260 0.436 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.970 -1.333 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.905 -3.305 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.116 -3.931 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.421 -3.951 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.777 -3.544 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.030 -1.908 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.718 -2.208 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.252 -6.200 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.176 -5.555 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.883 -5.535 -2.793 1.00 0.00 H new ATOM 349 N LEU A 25 -4.628 0.496 -1.934 1.00 0.00 N ATOM 350 CA LEU A 25 -5.643 1.541 -1.811 1.00 0.00 C ATOM 351 C LEU A 25 -6.349 1.630 -3.164 1.00 0.00 C ATOM 352 O LEU A 25 -5.836 2.253 -4.096 1.00 0.00 O ATOM 353 CB LEU A 25 -5.109 2.904 -1.319 1.00 0.00 C ATOM 354 CG LEU A 25 -3.904 2.855 -0.376 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.424 4.261 -0.022 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.209 2.159 0.946 1.00 0.00 C ATOM 0 H LEU A 25 -3.941 0.678 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.344 1.267 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.839 3.501 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.920 3.428 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.144 2.295 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.567 4.195 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.133 4.786 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.229 4.807 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.316 2.157 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.010 2.690 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.520 1.132 0.753 1.00 0.00 H new ATOM 367 N HIS A 26 -7.498 0.963 -3.287 1.00 0.00 N ATOM 368 CA HIS A 26 -8.313 0.972 -4.501 1.00 0.00 C ATOM 369 C HIS A 26 -7.625 0.192 -5.651 1.00 0.00 C ATOM 370 O HIS A 26 -7.349 0.753 -6.710 1.00 0.00 O ATOM 371 CB HIS A 26 -8.669 2.434 -4.872 1.00 0.00 C ATOM 372 CG HIS A 26 -8.971 3.360 -3.704 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.174 3.462 -3.044 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.103 4.237 -3.097 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.028 4.372 -2.065 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.784 4.889 -2.061 1.00 0.00 N ATOM 0 H HIS A 26 -7.892 0.395 -2.537 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.249 0.445 -4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.841 2.856 -5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.535 2.420 -5.533 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.024 2.941 -3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.071 4.396 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.807 4.652 -1.372 1.00 0.00 H new ATOM 383 N TYR A 27 -7.277 -1.090 -5.436 1.00 0.00 N ATOM 384 CA TYR A 27 -6.529 -1.961 -6.361 1.00 0.00 C ATOM 385 C TYR A 27 -5.070 -1.572 -6.602 1.00 0.00 C ATOM 386 O TYR A 27 -4.273 -2.427 -6.984 1.00 0.00 O ATOM 387 CB TYR A 27 -7.178 -2.101 -7.739 1.00 0.00 C ATOM 388 CG TYR A 27 -8.668 -2.377 -7.751 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.149 -3.583 -7.208 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.544 -1.530 -8.454 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.461 -4.002 -7.477 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.881 -1.917 -8.657 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.333 -3.161 -8.184 1.00 0.00 C ATOM 394 OH TYR A 27 -12.606 -3.564 -8.437 1.00 0.00 O ATOM 0 H TYR A 27 -7.522 -1.570 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.557 -2.907 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.995 -1.184 -8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.676 -2.907 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.507 -4.187 -6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.191 -0.584 -8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.799 -4.971 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.561 -1.258 -9.177 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.078 -2.864 -8.935 1.00 0.00 H new ATOM 403 N LYS A 28 -4.710 -0.298 -6.456 1.00 0.00 N ATOM 404 CA LYS A 28 -3.346 0.124 -6.705 1.00 0.00 C ATOM 405 C LYS A 28 -2.466 -0.392 -5.557 1.00 0.00 C ATOM 406 O LYS A 28 -2.972 -0.506 -4.448 1.00 0.00 O ATOM 407 CB LYS A 28 -3.310 1.633 -6.935 1.00 0.00 C ATOM 408 CG LYS A 28 -3.954 1.991 -8.282 1.00 0.00 C ATOM 409 CD LYS A 28 -2.977 1.972 -9.468 1.00 0.00 C ATOM 410 CE LYS A 28 -3.575 2.602 -10.734 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.720 1.832 -11.266 1.00 0.00 N ATOM 0 H LYS A 28 -5.342 0.449 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.936 -0.306 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.837 2.142 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.279 1.985 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.766 1.291 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.399 2.983 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.068 2.508 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.688 0.943 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.898 3.619 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.803 2.673 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.054 2.271 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.422 0.854 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.491 1.829 -10.568 1.00 0.00 H new ATOM 421 N VAL A 29 -1.200 -0.744 -5.800 1.00 0.00 N ATOM 422 CA VAL A 29 -0.265 -1.163 -4.749 1.00 0.00 C ATOM 423 C VAL A 29 0.640 0.008 -4.356 1.00 0.00 C ATOM 424 O VAL A 29 1.090 0.767 -5.221 1.00 0.00 O ATOM 425 CB VAL A 29 0.568 -2.381 -5.166 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.568 -2.748 -4.067 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.315 -3.614 -5.268 1.00 0.00 C ATOM 0 H VAL A 29 -0.792 -0.747 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.854 -1.466 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 29 1.049 -2.119 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.151 -3.614 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.237 -1.906 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.029 -2.985 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.290 -4.471 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.776 -3.813 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.093 -3.444 -6.012 1.00 0.00 H new ATOM 437 N TYR A 30 0.907 0.136 -3.052 1.00 0.00 N ATOM 438 CA TYR A 30 1.517 1.277 -2.412 1.00 0.00 C ATOM 439 C TYR A 30 2.652 0.862 -1.476 1.00 0.00 C ATOM 440 O TYR A 30 2.347 0.269 -0.455 1.00 0.00 O ATOM 441 CB TYR A 30 0.382 1.858 -1.578 1.00 0.00 C ATOM 442 CG TYR A 30 -0.688 2.564 -2.374 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.691 1.777 -2.950 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.724 3.961 -2.525 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.723 2.375 -3.674 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.803 4.557 -3.210 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.801 3.762 -3.787 1.00 0.00 C ATOM 448 OH TYR A 30 -3.907 4.313 -4.359 1.00 0.00 O ATOM 0 H TYR A 30 0.685 -0.605 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 30 1.948 1.967 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.081 1.053 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.801 2.559 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.666 0.704 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.068 4.573 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.469 1.757 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.860 5.633 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.643 3.667 -4.336 1.00 0.00 H new ATOM 457 N ASP A 31 3.902 1.223 -1.777 1.00 0.00 N ATOM 458 CA ASP A 31 5.124 0.892 -1.016 1.00 0.00 C ATOM 459 C ASP A 31 5.622 2.135 -0.279 1.00 0.00 C ATOM 460 O ASP A 31 6.009 3.121 -0.908 1.00 0.00 O ATOM 461 CB ASP A 31 6.253 0.373 -1.919 1.00 0.00 C ATOM 462 CG ASP A 31 7.490 -0.091 -1.137 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.630 0.255 0.061 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.263 -0.865 -1.742 1.00 0.00 O ATOM 0 H ASP A 31 4.107 1.785 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 31 4.860 0.101 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.878 -0.457 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.545 1.161 -2.613 1.00 0.00 H new ATOM 468 N LEU A 32 5.608 2.085 1.050 1.00 0.00 N ATOM 469 CA LEU A 32 5.727 3.286 1.867 1.00 0.00 C ATOM 470 C LEU A 32 6.999 3.341 2.701 1.00 0.00 C ATOM 471 O LEU A 32 7.708 4.340 2.626 1.00 0.00 O ATOM 472 CB LEU A 32 4.428 3.396 2.663 1.00 0.00 C ATOM 473 CG LEU A 32 3.261 3.152 1.695 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.935 3.364 2.350 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.189 4.137 0.541 1.00 0.00 C ATOM 0 H LEU A 32 5.515 1.221 1.585 1.00 0.00 H new ATOM 0 HA LEU A 32 5.846 4.169 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.413 2.665 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.344 4.381 3.122 1.00 0.00 H new ATOM 0 HG LEU A 32 3.449 2.131 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.139 3.180 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.830 2.676 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.868 4.390 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.337 3.893 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.072 5.148 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.106 4.079 -0.045 1.00 0.00 H new ATOM 486 N THR A 33 7.261 2.284 3.476 1.00 0.00 N ATOM 487 CA THR A 33 8.494 1.920 4.196 1.00 0.00 C ATOM 488 C THR A 33 9.286 3.011 4.948 1.00 0.00 C ATOM 489 O THR A 33 9.602 2.840 6.119 1.00 0.00 O ATOM 490 CB THR A 33 9.361 1.085 3.236 1.00 0.00 C ATOM 491 OG1 THR A 33 8.539 0.150 2.553 1.00 0.00 O ATOM 492 CG2 THR A 33 10.396 0.280 4.020 1.00 0.00 C ATOM 0 H THR A 33 6.537 1.583 3.634 1.00 0.00 H new ATOM 0 HA THR A 33 8.162 1.349 5.063 1.00 0.00 H new ATOM 0 HB THR A 33 9.853 1.766 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.564 0.334 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.002 -0.305 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.039 0.960 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.887 -0.390 4.713 1.00 0.00 H new ATOM 500 N LYS A 34 9.627 4.124 4.307 1.00 0.00 N ATOM 501 CA LYS A 34 10.138 5.335 4.943 1.00 0.00 C ATOM 502 C LYS A 34 9.019 6.237 5.427 1.00 0.00 C ATOM 503 O LYS A 34 9.152 6.882 6.459 1.00 0.00 O ATOM 504 CB LYS A 34 10.870 6.152 3.878 1.00 0.00 C ATOM 505 CG LYS A 34 12.146 5.478 3.386 1.00 0.00 C ATOM 506 CD LYS A 34 13.383 6.296 3.798 1.00 0.00 C ATOM 507 CE LYS A 34 13.556 6.196 5.323 1.00 0.00 C ATOM 508 NZ LYS A 34 14.144 7.396 5.949 1.00 0.00 N ATOM 0 H LYS A 34 9.553 4.212 3.293 1.00 0.00 H new ATOM 0 HA LYS A 34 10.765 5.026 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.203 6.317 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.117 7.132 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.215 4.472 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.115 5.376 2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.271 5.918 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.264 7.337 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.583 6.005 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.187 5.337 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.934 7.115 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.493 8.038 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.420 7.882 6.516 1.00 0.00 H new ATOM 518 N PHE A 35 7.931 6.315 4.664 1.00 0.00 N ATOM 519 CA PHE A 35 6.810 7.196 5.014 1.00 0.00 C ATOM 520 C PHE A 35 6.339 6.913 6.445 1.00 0.00 C ATOM 521 O PHE A 35 5.962 7.811 7.185 1.00 0.00 O ATOM 522 CB PHE A 35 5.673 7.061 4.007 1.00 0.00 C ATOM 523 CG PHE A 35 4.482 7.941 4.328 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.673 9.313 4.575 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.183 7.402 4.360 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.571 10.161 4.750 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.080 8.247 4.569 1.00 0.00 C ATOM 528 CZ PHE A 35 2.272 9.633 4.713 1.00 0.00 C ATOM 0 H PHE A 35 7.798 5.784 3.803 1.00 0.00 H new ATOM 0 HA PHE A 35 7.153 8.230 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.045 7.312 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.349 6.021 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.674 9.715 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.034 6.341 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.722 11.218 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.084 7.832 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.419 10.291 4.795 1.00 0.00 H new ATOM 537 N LEU A 36 6.446 5.642 6.827 1.00 0.00 N ATOM 538 CA LEU A 36 6.373 5.112 8.178 1.00 0.00 C ATOM 539 C LEU A 36 6.934 6.098 9.231 1.00 0.00 C ATOM 540 O LEU A 36 6.250 6.421 10.195 1.00 0.00 O ATOM 541 CB LEU A 36 7.192 3.809 8.132 1.00 0.00 C ATOM 542 CG LEU A 36 6.662 2.737 7.165 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.227 1.373 7.598 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.143 2.574 7.160 1.00 0.00 C ATOM 0 H LEU A 36 6.598 4.901 6.142 1.00 0.00 H new ATOM 0 HA LEU A 36 5.341 4.942 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.217 4.053 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.227 3.385 9.136 1.00 0.00 H new ATOM 0 HG LEU A 36 6.971 3.061 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.863 0.598 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.316 1.402 7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.903 1.151 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.863 1.797 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.804 2.293 8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.677 3.516 6.871 1.00 0.00 H new ATOM 555 N GLU A 37 8.155 6.605 9.014 1.00 0.00 N ATOM 556 CA GLU A 37 8.865 7.563 9.865 1.00 0.00 C ATOM 557 C GLU A 37 8.161 8.933 9.994 1.00 0.00 C ATOM 558 O GLU A 37 8.362 9.647 10.974 1.00 0.00 O ATOM 559 CB GLU A 37 10.265 7.786 9.255 1.00 0.00 C ATOM 560 CG GLU A 37 11.157 6.533 9.156 1.00 0.00 C ATOM 561 CD GLU A 37 12.482 6.804 8.447 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.753 7.956 8.041 1.00 0.00 O ATOM 563 OE2 GLU A 37 13.240 5.846 8.194 1.00 0.00 O ATOM 0 H GLU A 37 8.702 6.342 8.194 1.00 0.00 H new ATOM 0 HA GLU A 37 8.902 7.139 10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.144 8.203 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.786 8.535 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.357 6.155 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.618 5.750 8.622 1.00 0.00 H new ATOM 568 N GLU A 38 7.404 9.330 8.967 1.00 0.00 N ATOM 569 CA GLU A 38 6.839 10.667 8.767 1.00 0.00 C ATOM 570 C GLU A 38 5.332 10.750 9.082 1.00 0.00 C ATOM 571 O GLU A 38 4.862 11.699 9.712 1.00 0.00 O ATOM 572 CB GLU A 38 7.140 11.032 7.304 1.00 0.00 C ATOM 573 CG GLU A 38 6.462 12.321 6.821 1.00 0.00 C ATOM 574 CD GLU A 38 6.872 12.671 5.396 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.906 13.357 5.254 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.150 12.226 4.477 1.00 0.00 O ATOM 0 H GLU A 38 7.155 8.692 8.211 1.00 0.00 H new ATOM 0 HA GLU A 38 7.290 11.375 9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.218 11.135 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.824 10.208 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.379 12.204 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.724 13.142 7.488 1.00 0.00 H new ATOM 581 N HIS A 39 4.560 9.777 8.597 1.00 0.00 N ATOM 582 CA HIS A 39 3.102 9.752 8.584 1.00 0.00 C ATOM 583 C HIS A 39 2.438 10.073 9.939 1.00 0.00 C ATOM 584 O HIS A 39 2.594 9.309 10.891 1.00 0.00 O ATOM 585 CB HIS A 39 2.687 8.356 8.118 1.00 0.00 C ATOM 586 CG HIS A 39 1.201 8.117 8.089 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.583 7.033 8.658 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.266 8.795 7.352 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.689 7.041 8.238 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.945 8.105 7.448 1.00 0.00 N ATOM 0 H HIS A 39 4.962 8.938 8.179 1.00 0.00 H new ATOM 0 HA HIS A 39 2.760 10.542 7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.088 8.188 7.118 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.147 7.617 8.774 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.011 6.350 9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.436 9.704 6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.419 6.289 8.499 1.00 0.00 H new ATOM 597 N PRO A 40 1.607 11.128 10.032 1.00 0.00 N ATOM 598 CA PRO A 40 0.931 11.500 11.274 1.00 0.00 C ATOM 599 C PRO A 40 -0.077 10.443 11.752 1.00 0.00 C ATOM 600 O PRO A 40 -0.353 10.350 12.944 1.00 0.00 O ATOM 601 CB PRO A 40 0.278 12.857 10.996 1.00 0.00 C ATOM 602 CG PRO A 40 0.041 12.824 9.488 1.00 0.00 C ATOM 603 CD PRO A 40 1.247 12.052 8.966 1.00 0.00 C ATOM 0 HA PRO A 40 1.641 11.564 12.099 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.654 12.977 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.927 13.684 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.896 12.326 9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.009 13.828 9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.003 11.517 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.073 12.724 8.733 1.00 0.00 H new ATOM 608 N GLY A 41 -0.600 9.614 10.843 1.00 0.00 N ATOM 609 CA GLY A 41 -1.391 8.437 11.203 1.00 0.00 C ATOM 610 C GLY A 41 -0.588 7.346 11.928 1.00 0.00 C ATOM 611 O GLY A 41 -1.182 6.413 12.461 1.00 0.00 O ATOM 0 H GLY A 41 -0.486 9.742 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.219 8.749 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.827 8.013 10.298 1.00 0.00 H new ATOM 615 N GLY A 42 0.749 7.432 11.924 1.00 0.00 N ATOM 616 CA GLY A 42 1.640 6.511 12.613 1.00 0.00 C ATOM 617 C GLY A 42 2.265 5.511 11.642 1.00 0.00 C ATOM 618 O GLY A 42 1.728 5.250 10.561 1.00 0.00 O ATOM 0 H GLY A 42 1.247 8.169 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.427 7.072 13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.087 5.975 13.384 1.00 0.00 H new ATOM 622 N GLU A 43 3.393 4.931 12.044 1.00 0.00 N ATOM 623 CA GLU A 43 4.085 3.893 11.310 1.00 0.00 C ATOM 624 C GLU A 43 3.337 2.586 11.455 1.00 0.00 C ATOM 625 O GLU A 43 2.954 1.917 10.490 1.00 0.00 O ATOM 626 CB GLU A 43 5.496 3.627 11.888 1.00 0.00 C ATOM 627 CG GLU A 43 5.794 4.016 13.355 1.00 0.00 C ATOM 628 CD GLU A 43 5.936 5.503 13.640 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.873 6.093 13.939 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.085 5.991 13.611 1.00 0.00 O ATOM 0 H GLU A 43 3.859 5.183 12.916 1.00 0.00 H new ATOM 0 HA GLU A 43 4.150 4.231 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.698 2.561 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.214 4.151 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.995 3.622 13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.715 3.519 13.661 1.00 0.00 H new ATOM 635 N GLU A 44 3.154 2.211 12.717 1.00 0.00 N ATOM 636 CA GLU A 44 2.783 0.865 13.026 1.00 0.00 C ATOM 637 C GLU A 44 1.373 0.573 12.544 1.00 0.00 C ATOM 638 O GLU A 44 1.071 -0.549 12.177 1.00 0.00 O ATOM 639 CB GLU A 44 2.963 0.541 14.515 1.00 0.00 C ATOM 640 CG GLU A 44 4.418 0.669 14.999 1.00 0.00 C ATOM 641 CD GLU A 44 5.381 -0.162 14.167 1.00 0.00 C ATOM 642 OE1 GLU A 44 5.216 -1.398 14.148 1.00 0.00 O ATOM 643 OE2 GLU A 44 6.238 0.420 13.469 1.00 0.00 O ATOM 0 H GLU A 44 3.259 2.825 13.524 1.00 0.00 H new ATOM 0 HA GLU A 44 3.462 0.203 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.333 1.208 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.614 -0.474 14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.720 1.716 14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.480 0.357 16.041 1.00 0.00 H new ATOM 648 N HIS A 45 0.529 1.602 12.480 1.00 0.00 N ATOM 649 CA HIS A 45 -0.813 1.485 11.942 1.00 0.00 C ATOM 650 C HIS A 45 -0.843 1.326 10.415 1.00 0.00 C ATOM 651 O HIS A 45 -1.788 0.763 9.867 1.00 0.00 O ATOM 652 CB HIS A 45 -1.634 2.671 12.437 1.00 0.00 C ATOM 653 CG HIS A 45 -3.117 2.423 12.298 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.803 1.358 12.838 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.999 3.117 11.513 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.070 1.422 12.403 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.243 2.477 11.588 1.00 0.00 N ATOM 0 H HIS A 45 0.764 2.541 12.803 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.262 0.562 12.308 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.395 2.868 13.482 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.360 3.563 11.874 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.416 0.647 13.459 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.775 4.003 10.937 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.846 0.721 12.671 1.00 0.00 H new ATOM 664 N LEU A 46 0.209 1.762 9.711 1.00 0.00 N ATOM 665 CA LEU A 46 0.358 1.408 8.303 1.00 0.00 C ATOM 666 C LEU A 46 0.790 -0.053 8.244 1.00 0.00 C ATOM 667 O LEU A 46 0.262 -0.832 7.455 1.00 0.00 O ATOM 668 CB LEU A 46 1.394 2.301 7.602 1.00 0.00 C ATOM 669 CG LEU A 46 0.964 3.767 7.454 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.153 4.602 6.967 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.170 3.907 6.440 1.00 0.00 C ATOM 0 H LEU A 46 0.953 2.349 10.088 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.588 1.557 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.328 2.263 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.599 1.893 6.612 1.00 0.00 H new ATOM 0 HG LEU A 46 0.619 4.117 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.848 5.643 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.966 4.533 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.492 4.224 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.455 4.956 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.163 3.542 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.029 3.324 6.772 1.00 0.00 H new ATOM 682 N ARG A 47 1.725 -0.435 9.118 1.00 0.00 N ATOM 683 CA ARG A 47 2.287 -1.782 9.137 1.00 0.00 C ATOM 684 C ARG A 47 1.210 -2.835 9.426 1.00 0.00 C ATOM 685 O ARG A 47 1.120 -3.866 8.768 1.00 0.00 O ATOM 686 CB ARG A 47 3.400 -1.806 10.182 1.00 0.00 C ATOM 687 CG ARG A 47 4.297 -3.042 10.020 1.00 0.00 C ATOM 688 CD ARG A 47 5.072 -3.338 11.308 1.00 0.00 C ATOM 689 NE ARG A 47 5.937 -2.218 11.721 1.00 0.00 N ATOM 690 CZ ARG A 47 7.163 -1.913 11.288 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.791 -2.694 10.424 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.784 -0.832 11.733 1.00 0.00 N ATOM 0 H ARG A 47 2.112 0.183 9.831 1.00 0.00 H new ATOM 0 HA ARG A 47 2.695 -2.033 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.004 -0.903 10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.963 -1.800 11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.687 -3.905 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.997 -2.881 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.367 -3.561 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.683 -4.229 11.163 1.00 0.00 H new ATOM 0 HE ARG A 47 5.549 -1.595 12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.339 -3.541 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.727 -2.449 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.326 -0.224 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.720 -0.607 11.397 1.00 0.00 H new ATOM 703 N GLU A 48 0.372 -2.517 10.406 1.00 0.00 N ATOM 704 CA GLU A 48 -0.862 -3.207 10.784 1.00 0.00 C ATOM 705 C GLU A 48 -1.713 -3.620 9.570 1.00 0.00 C ATOM 706 O GLU A 48 -2.151 -4.763 9.470 1.00 0.00 O ATOM 707 CB GLU A 48 -1.633 -2.256 11.708 1.00 0.00 C ATOM 708 CG GLU A 48 -2.872 -2.871 12.375 1.00 0.00 C ATOM 709 CD GLU A 48 -3.633 -1.846 13.210 1.00 0.00 C ATOM 710 OE1 GLU A 48 -2.964 -0.987 13.827 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.879 -1.903 13.191 1.00 0.00 O ATOM 0 H GLU A 48 0.548 -1.710 11.004 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.621 -4.142 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.957 -1.901 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.943 -1.384 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.532 -3.279 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.568 -3.703 13.010 1.00 0.00 H new ATOM 716 N GLN A 49 -1.938 -2.688 8.635 1.00 0.00 N ATOM 717 CA GLN A 49 -2.659 -2.958 7.390 1.00 0.00 C ATOM 718 C GLN A 49 -1.776 -3.635 6.339 1.00 0.00 C ATOM 719 O GLN A 49 -2.255 -4.394 5.502 1.00 0.00 O ATOM 720 CB GLN A 49 -3.103 -1.639 6.753 1.00 0.00 C ATOM 721 CG GLN A 49 -4.246 -0.892 7.433 1.00 0.00 C ATOM 722 CD GLN A 49 -5.580 -1.630 7.492 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.348 -1.415 8.423 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.915 -2.472 6.522 1.00 0.00 N ATOM 0 H GLN A 49 -1.623 -1.722 8.724 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.494 -3.605 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.240 -0.974 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.396 -1.842 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.941 -0.649 8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.398 0.053 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.270 -2.645 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.818 -2.946 6.547 1.00 0.00 H new ATOM 731 N ALA A 50 -0.504 -3.239 6.311 1.00 0.00 N ATOM 732 CA ALA A 50 0.428 -3.549 5.244 1.00 0.00 C ATOM 733 C ALA A 50 0.503 -5.024 4.843 1.00 0.00 C ATOM 734 O ALA A 50 0.230 -5.945 5.612 1.00 0.00 O ATOM 735 CB ALA A 50 1.830 -3.102 5.658 1.00 0.00 C ATOM 0 H ALA A 50 -0.088 -2.678 7.054 1.00 0.00 H new ATOM 0 HA ALA A 50 0.050 -3.014 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.536 -3.332 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.830 -2.028 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.126 -3.627 6.566 1.00 0.00 H new ATOM 741 N GLY A 51 0.934 -5.223 3.602 1.00 0.00 N ATOM 742 CA GLY A 51 0.983 -6.525 2.946 1.00 0.00 C ATOM 743 C GLY A 51 -0.177 -6.729 1.970 1.00 0.00 C ATOM 744 O GLY A 51 -0.295 -7.780 1.342 1.00 0.00 O ATOM 0 H GLY A 51 1.268 -4.463 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.927 -6.624 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.962 -7.311 3.701 1.00 0.00 H new ATOM 748 N GLY A 52 -1.035 -5.715 1.844 1.00 0.00 N ATOM 749 CA GLY A 52 -2.161 -5.682 0.931 1.00 0.00 C ATOM 750 C GLY A 52 -3.439 -5.261 1.646 1.00 0.00 C ATOM 751 O GLY A 52 -3.790 -5.800 2.690 1.00 0.00 O ATOM 0 H GLY A 52 -0.954 -4.864 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.952 -4.989 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.299 -6.666 0.484 1.00 0.00 H new ATOM 755 N ASP A 53 -4.109 -4.281 1.048 1.00 0.00 N ATOM 756 CA ASP A 53 -5.356 -3.687 1.500 1.00 0.00 C ATOM 757 C ASP A 53 -5.261 -2.811 2.763 1.00 0.00 C ATOM 758 O ASP A 53 -5.087 -3.249 3.900 1.00 0.00 O ATOM 759 CB ASP A 53 -6.527 -4.670 1.499 1.00 0.00 C ATOM 760 CG ASP A 53 -7.867 -3.935 1.608 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.853 -2.679 1.623 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.890 -4.645 1.641 1.00 0.00 O ATOM 0 H ASP A 53 -3.773 -3.857 0.183 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.590 -2.954 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.507 -5.262 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.422 -5.366 2.331 1.00 0.00 H new ATOM 766 N ALA A 54 -5.404 -1.515 2.513 1.00 0.00 N ATOM 767 CA ALA A 54 -5.629 -0.494 3.513 1.00 0.00 C ATOM 768 C ALA A 54 -6.663 0.481 2.954 1.00 0.00 C ATOM 769 O ALA A 54 -6.733 1.630 3.376 1.00 0.00 O ATOM 770 CB ALA A 54 -4.281 0.132 3.857 1.00 0.00 C ATOM 0 H ALA A 54 -5.364 -1.137 1.566 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.036 -0.880 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.421 0.907 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.612 -0.636 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.845 0.573 2.960 1.00 0.00 H new ATOM 776 N THR A 55 -7.479 0.007 2.005 1.00 0.00 N ATOM 777 CA THR A 55 -8.436 0.803 1.254 1.00 0.00 C ATOM 778 C THR A 55 -9.534 1.270 2.197 1.00 0.00 C ATOM 779 O THR A 55 -9.830 2.461 2.283 1.00 0.00 O ATOM 780 CB THR A 55 -8.994 -0.060 0.107 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.997 -0.378 -0.839 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.108 0.654 -0.659 1.00 0.00 C ATOM 0 H THR A 55 -7.485 -0.977 1.735 1.00 0.00 H new ATOM 0 HA THR A 55 -7.966 1.686 0.822 1.00 0.00 H new ATOM 0 HB THR A 55 -9.377 -0.961 0.587 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.145 -0.529 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.471 0.008 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.927 0.885 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.720 1.578 -1.087 1.00 0.00 H new ATOM 790 N GLU A 56 -10.095 0.319 2.946 1.00 0.00 N ATOM 791 CA GLU A 56 -11.098 0.608 3.951 1.00 0.00 C ATOM 792 C GLU A 56 -10.564 1.583 5.003 1.00 0.00 C ATOM 793 O GLU A 56 -11.145 2.644 5.198 1.00 0.00 O ATOM 794 CB GLU A 56 -11.607 -0.715 4.537 1.00 0.00 C ATOM 795 CG GLU A 56 -12.785 -0.496 5.497 1.00 0.00 C ATOM 796 CD GLU A 56 -13.394 -1.817 5.951 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.757 -2.466 6.808 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.473 -2.157 5.419 1.00 0.00 O ATOM 0 H GLU A 56 -9.861 -0.671 2.867 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.949 1.118 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.916 -1.377 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.795 -1.215 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.446 0.067 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.548 0.107 5.005 1.00 0.00 H new ATOM 803 N ASN A 57 -9.413 1.290 5.621 1.00 0.00 N ATOM 804 CA ASN A 57 -8.857 2.174 6.647 1.00 0.00 C ATOM 805 C ASN A 57 -8.587 3.581 6.068 1.00 0.00 C ATOM 806 O ASN A 57 -8.954 4.602 6.648 1.00 0.00 O ATOM 807 CB ASN A 57 -7.600 1.546 7.281 1.00 0.00 C ATOM 808 CG ASN A 57 -7.401 2.015 8.720 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.627 3.173 9.044 1.00 0.00 O ATOM 810 ND2 ASN A 57 -6.923 1.142 9.593 1.00 0.00 N ATOM 0 H ASN A 57 -8.856 0.457 5.430 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.590 2.295 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.686 0.460 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.724 1.808 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.737 1.431 10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.741 0.181 9.305 1.00 0.00 H new ATOM 816 N PHE A 58 -7.992 3.628 4.870 1.00 0.00 N ATOM 817 CA PHE A 58 -7.674 4.871 4.162 1.00 0.00 C ATOM 818 C PHE A 58 -8.895 5.775 3.897 1.00 0.00 C ATOM 819 O PHE A 58 -8.729 6.998 3.900 1.00 0.00 O ATOM 820 CB PHE A 58 -6.931 4.508 2.871 1.00 0.00 C ATOM 821 CG PHE A 58 -6.429 5.646 2.005 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.377 6.458 2.467 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.761 5.659 0.637 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.697 7.313 1.581 1.00 0.00 C ATOM 825 CE2 PHE A 58 -5.996 6.415 -0.268 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.000 7.287 0.209 1.00 0.00 C ATOM 0 H PHE A 58 -7.714 2.790 4.359 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.037 5.477 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.076 3.888 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.594 3.892 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.090 6.425 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.605 5.087 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.942 7.989 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.173 6.327 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.471 7.933 -0.476 1.00 0.00 H new ATOM 835 N GLU A 59 -10.092 5.192 3.703 1.00 0.00 N ATOM 836 CA GLU A 59 -11.372 5.831 3.424 1.00 0.00 C ATOM 837 C GLU A 59 -12.229 6.057 4.688 1.00 0.00 C ATOM 838 O GLU A 59 -12.956 7.042 4.775 1.00 0.00 O ATOM 839 CB GLU A 59 -12.124 5.095 2.307 1.00 0.00 C ATOM 840 CG GLU A 59 -13.004 6.092 1.518 1.00 0.00 C ATOM 841 CD GLU A 59 -12.200 7.032 0.622 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.899 6.620 -0.517 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.775 8.122 1.065 1.00 0.00 O ATOM 0 H GLU A 59 -10.186 4.177 3.743 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.155 6.834 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.414 4.613 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.745 4.307 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.712 5.534 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.589 6.684 2.221 1.00 0.00 H new ATOM 848 N ASP A 60 -12.120 5.173 5.687 1.00 0.00 N ATOM 849 CA ASP A 60 -12.675 5.370 7.024 1.00 0.00 C ATOM 850 C ASP A 60 -12.052 6.634 7.635 1.00 0.00 C ATOM 851 O ASP A 60 -12.754 7.567 8.022 1.00 0.00 O ATOM 852 CB ASP A 60 -12.407 4.108 7.851 1.00 0.00 C ATOM 853 CG ASP A 60 -12.942 4.248 9.266 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.140 3.954 9.452 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.138 4.657 10.130 1.00 0.00 O ATOM 0 H ASP A 60 -11.632 4.283 5.582 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.754 5.522 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.873 3.249 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.335 3.913 7.883 1.00 0.00 H new ATOM 859 N VAL A 61 -10.713 6.696 7.636 1.00 0.00 N ATOM 860 CA VAL A 61 -9.997 7.939 7.916 1.00 0.00 C ATOM 861 C VAL A 61 -10.348 8.948 6.811 1.00 0.00 C ATOM 862 O VAL A 61 -10.670 10.102 7.078 1.00 0.00 O ATOM 863 CB VAL A 61 -8.485 7.673 7.971 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.713 8.991 8.117 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.140 6.756 9.151 1.00 0.00 C ATOM 0 H VAL A 61 -10.108 5.897 7.445 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.291 8.345 8.884 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.197 7.185 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.643 8.784 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.928 9.635 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.018 9.491 9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.065 6.580 9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.449 7.230 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.661 5.805 9.038 1.00 0.00 H new ATOM 875 N GLY A 62 -10.283 8.483 5.560 1.00 0.00 N ATOM 876 CA GLY A 62 -10.772 9.185 4.383 1.00 0.00 C ATOM 877 C GLY A 62 -9.919 10.391 4.027 1.00 0.00 C ATOM 878 O GLY A 62 -10.285 11.555 4.175 1.00 0.00 O ATOM 0 H GLY A 62 -9.873 7.576 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.794 8.498 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.798 9.509 4.558 1.00 0.00 H new ATOM 882 N HIS A 63 -8.737 10.036 3.526 1.00 0.00 N ATOM 883 CA HIS A 63 -7.613 10.911 3.259 1.00 0.00 C ATOM 884 CB HIS A 63 -6.454 10.020 2.831 1.00 0.00 C ATOM 885 CG HIS A 63 -5.837 9.340 4.013 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.418 8.390 4.818 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.587 9.593 4.491 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.508 8.050 5.746 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.366 8.745 5.573 1.00 0.00 N ATOM 0 H HIS A 63 -8.533 9.067 3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.808 9.273 2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.701 10.618 2.317 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.362 8.014 4.728 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.892 10.321 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.669 7.319 6.525 1.00 0.00 H new ATOM 896 N SER A 64 -7.225 13.142 2.425 1.00 0.00 N ATOM 897 CA SER A 64 -7.338 14.353 1.623 1.00 0.00 C ATOM 898 C SER A 64 -6.943 14.186 0.153 1.00 0.00 C ATOM 899 O SER A 64 -6.293 13.222 -0.257 1.00 0.00 O ATOM 900 CB SER A 64 -6.434 15.426 2.239 1.00 0.00 C ATOM 901 OG SER A 64 -5.101 14.961 2.237 1.00 0.00 O ATOM 0 HA SER A 64 -8.393 14.627 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.510 16.353 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.754 15.648 3.257 1.00 0.00 H new ATOM 0 HG SER A 64 -4.986 14.294 2.946 1.00 0.00 H new ATOM 906 N THR A 65 -7.289 15.197 -0.647 1.00 0.00 N ATOM 907 CA THR A 65 -6.790 15.326 -2.007 1.00 0.00 C ATOM 908 C THR A 65 -5.269 15.404 -2.006 1.00 0.00 C ATOM 909 O THR A 65 -4.630 14.629 -2.705 1.00 0.00 O ATOM 910 CB THR A 65 -7.360 16.584 -2.666 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.210 17.667 -1.768 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.845 16.427 -2.985 1.00 0.00 C ATOM 0 H THR A 65 -7.922 15.945 -0.366 1.00 0.00 H new ATOM 0 HA THR A 65 -7.106 14.449 -2.572 1.00 0.00 H new ATOM 0 HB THR A 65 -6.822 16.758 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.569 18.482 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.215 17.340 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.984 15.588 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.397 16.241 -2.064 1.00 0.00 H new ATOM 920 N ASP A 66 -4.699 16.295 -1.193 1.00 0.00 N ATOM 921 CA ASP A 66 -3.270 16.359 -0.905 1.00 0.00 C ATOM 922 C ASP A 66 -2.670 14.957 -0.691 1.00 0.00 C ATOM 923 O ASP A 66 -1.719 14.566 -1.362 1.00 0.00 O ATOM 924 CB ASP A 66 -3.084 17.260 0.321 1.00 0.00 C ATOM 925 CG ASP A 66 -1.619 17.381 0.708 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.142 16.453 1.394 1.00 0.00 O ATOM 927 OD2 ASP A 66 -1.011 18.392 0.300 1.00 0.00 O ATOM 0 H ASP A 66 -5.236 17.011 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.733 16.779 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.489 18.250 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.651 16.856 1.160 1.00 0.00 H new ATOM 931 N ALA A 67 -3.285 14.161 0.186 1.00 0.00 N ATOM 932 CA ALA A 67 -2.805 12.821 0.516 1.00 0.00 C ATOM 933 C ALA A 67 -2.958 11.838 -0.654 1.00 0.00 C ATOM 934 O ALA A 67 -2.082 11.007 -0.899 1.00 0.00 O ATOM 935 CB ALA A 67 -3.535 12.320 1.760 1.00 0.00 C ATOM 0 H ALA A 67 -4.132 14.430 0.687 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.736 12.881 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.181 11.320 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.339 12.995 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.607 12.287 1.564 1.00 0.00 H new ATOM 941 N ARG A 68 -4.055 11.926 -1.411 1.00 0.00 N ATOM 942 CA ARG A 68 -4.218 11.114 -2.609 1.00 0.00 C ATOM 943 C ARG A 68 -3.149 11.499 -3.624 1.00 0.00 C ATOM 944 O ARG A 68 -2.497 10.630 -4.206 1.00 0.00 O ATOM 945 CB ARG A 68 -5.640 11.292 -3.178 1.00 0.00 C ATOM 946 CG ARG A 68 -6.603 10.173 -2.762 1.00 0.00 C ATOM 947 CD ARG A 68 -7.087 10.217 -1.305 1.00 0.00 C ATOM 948 NE ARG A 68 -7.676 8.903 -0.982 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.882 8.588 -0.495 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.620 9.439 0.206 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.364 7.376 -0.740 1.00 0.00 N ATOM 0 H ARG A 68 -4.837 12.550 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.094 10.059 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.040 12.249 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.587 11.330 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.474 10.207 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.113 9.215 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.257 10.438 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.824 11.009 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.065 8.106 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.273 10.380 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.534 9.153 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.818 6.711 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.281 7.109 -0.381 1.00 0.00 H new ATOM 962 N GLU A 69 -2.918 12.798 -3.802 1.00 0.00 N ATOM 963 CA GLU A 69 -1.960 13.252 -4.783 1.00 0.00 C ATOM 964 C GLU A 69 -0.529 12.911 -4.363 1.00 0.00 C ATOM 965 O GLU A 69 0.274 12.465 -5.179 1.00 0.00 O ATOM 966 CB GLU A 69 -2.210 14.723 -5.144 1.00 0.00 C ATOM 967 CG GLU A 69 -1.622 14.875 -6.561 1.00 0.00 C ATOM 968 CD GLU A 69 -1.978 16.079 -7.405 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.498 17.074 -6.866 1.00 0.00 O ATOM 970 OE2 GLU A 69 -1.699 15.920 -8.620 1.00 0.00 O ATOM 0 H GLU A 69 -3.381 13.542 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.102 12.706 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.274 14.961 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.722 15.394 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.536 14.857 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.907 13.988 -7.126 1.00 0.00 H new ATOM 975 N LEU A 70 -0.227 12.989 -3.066 1.00 0.00 N ATOM 976 CA LEU A 70 1.023 12.463 -2.545 1.00 0.00 C ATOM 977 C LEU A 70 1.218 11.022 -2.995 1.00 0.00 C ATOM 978 O LEU A 70 2.286 10.634 -3.461 1.00 0.00 O ATOM 979 CB LEU A 70 1.077 12.476 -1.002 1.00 0.00 C ATOM 980 CG LEU A 70 2.457 12.013 -0.481 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.645 12.515 -1.299 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.733 12.474 0.948 1.00 0.00 C ATOM 0 H LEU A 70 -0.833 13.412 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 70 1.808 13.112 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.868 13.482 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.299 11.825 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 70 2.380 10.928 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.571 12.142 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.558 12.157 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.655 13.605 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.715 12.120 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.709 13.563 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.972 12.068 1.615 1.00 0.00 H new ATOM 993 N SER A 71 0.171 10.200 -2.907 1.00 0.00 N ATOM 994 CA SER A 71 0.380 8.780 -3.018 1.00 0.00 C ATOM 995 C SER A 71 0.822 8.323 -4.412 1.00 0.00 C ATOM 996 O SER A 71 1.336 7.220 -4.574 1.00 0.00 O ATOM 997 CB SER A 71 -0.850 8.048 -2.493 1.00 0.00 C ATOM 998 OG SER A 71 -1.879 8.050 -3.463 1.00 0.00 O ATOM 0 H SER A 71 -0.796 10.493 -2.764 1.00 0.00 H new ATOM 0 HA SER A 71 1.231 8.513 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.587 7.022 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.203 8.526 -1.579 1.00 0.00 H new ATOM 0 HG SER A 71 -2.166 8.971 -3.634 1.00 0.00 H new ATOM 1003 N LYS A 72 0.726 9.214 -5.400 1.00 0.00 N ATOM 1004 CA LYS A 72 1.352 9.039 -6.717 1.00 0.00 C ATOM 1005 C LYS A 72 2.836 8.666 -6.550 1.00 0.00 C ATOM 1006 O LYS A 72 3.356 7.822 -7.273 1.00 0.00 O ATOM 1007 CB LYS A 72 1.195 10.329 -7.548 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.288 10.680 -7.702 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.591 12.115 -8.160 1.00 0.00 C ATOM 1010 CE LYS A 72 -0.196 12.567 -9.568 1.00 0.00 C ATOM 1011 NZ LYS A 72 -0.262 14.052 -9.672 1.00 0.00 N ATOM 0 H LYS A 72 0.207 10.087 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 72 0.855 8.227 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.722 11.150 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.649 10.196 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.733 9.989 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.783 10.512 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.666 12.267 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.106 12.790 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.813 12.224 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.862 12.114 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.363 14.326 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.079 14.402 -9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.611 14.466 -9.286 1.00 0.00 H new ATOM 1021 N THR A 73 3.491 9.268 -5.547 1.00 0.00 N ATOM 1022 CA THR A 73 4.888 8.975 -5.165 1.00 0.00 C ATOM 1023 C THR A 73 5.112 7.734 -4.299 1.00 0.00 C ATOM 1024 O THR A 73 6.254 7.357 -4.044 1.00 0.00 O ATOM 1025 CB THR A 73 5.576 10.185 -4.502 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.951 10.109 -4.799 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.474 10.227 -2.966 1.00 0.00 C ATOM 0 H THR A 73 3.060 9.986 -4.965 1.00 0.00 H new ATOM 0 HA THR A 73 5.348 8.751 -6.127 1.00 0.00 H new ATOM 0 HB THR A 73 5.071 11.069 -4.891 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.249 9.178 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.987 11.113 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.425 10.263 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.938 9.334 -2.546 1.00 0.00 H new ATOM 1035 N PHE A 74 4.029 7.139 -3.816 1.00 0.00 N ATOM 1036 CA PHE A 74 3.980 5.993 -2.918 1.00 0.00 C ATOM 1037 C PHE A 74 3.537 4.736 -3.655 1.00 0.00 C ATOM 1038 O PHE A 74 3.810 3.620 -3.225 1.00 0.00 O ATOM 1039 CB PHE A 74 2.997 6.362 -1.823 1.00 0.00 C ATOM 1040 CG PHE A 74 3.487 7.358 -0.787 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.857 7.669 -0.612 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.544 7.881 0.105 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.259 8.534 0.420 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.952 8.701 1.164 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.292 9.087 1.271 1.00 0.00 C ATOM 0 H PHE A 74 3.095 7.469 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 74 4.964 5.771 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.100 6.768 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.701 5.449 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.595 7.240 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.497 7.651 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.304 8.771 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.233 9.035 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.583 9.815 2.013 1.00 0.00 H new ATOM 1054 N ILE A 75 2.824 4.916 -4.759 1.00 0.00 N ATOM 1055 CA ILE A 75 2.395 3.821 -5.593 1.00 0.00 C ATOM 1056 C ILE A 75 3.567 3.167 -6.313 1.00 0.00 C ATOM 1057 O ILE A 75 4.519 3.823 -6.731 1.00 0.00 O ATOM 1058 CB ILE A 75 1.364 4.355 -6.600 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.014 4.311 -5.886 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.326 3.609 -7.946 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.119 4.642 -6.837 1.00 0.00 C ATOM 0 H ILE A 75 2.530 5.833 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 75 1.944 3.050 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 75 1.643 5.367 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.143 3.320 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.015 5.018 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.569 4.057 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.301 3.680 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.082 2.561 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.067 4.603 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.973 5.643 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.133 3.918 -7.652 1.00 0.00 H new ATOM 1072 N ILE A 76 3.423 1.861 -6.518 1.00 0.00 N ATOM 1073 CA ILE A 76 4.283 1.069 -7.388 1.00 0.00 C ATOM 1074 C ILE A 76 3.505 0.517 -8.596 1.00 0.00 C ATOM 1075 O ILE A 76 4.083 0.294 -9.658 1.00 0.00 O ATOM 1076 CB ILE A 76 4.981 -0.022 -6.573 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.945 -0.948 -5.925 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.887 0.618 -5.508 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.646 -2.064 -5.144 1.00 0.00 C ATOM 0 H ILE A 76 2.687 1.312 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 76 5.059 1.710 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 76 5.601 -0.622 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.302 -0.375 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.302 -1.380 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.380 -0.165 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.639 1.239 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.285 1.235 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.899 -2.714 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.269 -2.647 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.269 -1.626 -4.364 1.00 0.00 H new ATOM 1090 N GLY A 77 2.187 0.320 -8.459 1.00 0.00 N ATOM 1091 CA GLY A 77 1.309 -0.028 -9.572 1.00 0.00 C ATOM 1092 C GLY A 77 -0.019 -0.605 -9.086 1.00 0.00 C ATOM 1093 O GLY A 77 -0.750 0.102 -8.402 1.00 0.00 O ATOM 0 H GLY A 77 1.702 0.399 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.121 0.859 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.807 -0.753 -10.215 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.330 -1.864 -9.419 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.606 -2.523 -9.119 1.00 0.00 C ATOM 1099 C GLU A 78 -1.437 -3.908 -8.482 1.00 0.00 C ATOM 1100 O GLU A 78 -0.390 -4.537 -8.575 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.405 -2.700 -10.416 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.081 -1.396 -10.852 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.140 -1.554 -11.929 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.622 -2.688 -12.143 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.535 -0.483 -12.437 1.00 0.00 O ATOM 0 H GLU A 78 0.320 -2.470 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.123 -1.882 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.741 -3.047 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.162 -3.472 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.538 -0.931 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.315 -0.710 -11.214 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.546 -4.395 -7.930 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.812 -5.726 -7.374 1.00 0.00 C ATOM 1112 C LEU A 79 -2.844 -6.858 -8.385 1.00 0.00 C ATOM 1113 O LEU A 79 -2.970 -8.006 -7.985 1.00 0.00 O ATOM 1114 CB LEU A 79 -4.135 -5.580 -6.596 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.982 -6.829 -6.321 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.383 -7.731 -5.253 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.344 -6.370 -5.815 1.00 0.00 C ATOM 0 H LEU A 79 -3.373 -3.803 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.984 -6.030 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.902 -5.123 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.760 -4.873 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.039 -7.397 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.028 -8.597 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.395 -8.065 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.295 -7.179 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.968 -7.240 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.216 -5.792 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.823 -5.749 -6.572 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.695 -6.551 -9.672 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.691 -7.538 -10.739 1.00 0.00 C ATOM 1130 C HIS A 80 -4.101 -8.044 -10.997 1.00 0.00 C ATOM 1131 O HIS A 80 -4.939 -8.174 -10.103 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.663 -8.641 -10.460 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.161 -9.507 -11.586 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.725 -10.640 -12.106 1.00 0.00 N ATOM 1135 CD2 HIS A 80 0.017 -9.315 -12.252 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -0.981 -11.035 -13.148 1.00 0.00 C ATOM 1137 NE2 HIS A 80 0.106 -10.260 -13.274 1.00 0.00 N ATOM 0 H HIS A 80 -2.572 -5.594 -10.003 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.367 -7.073 -11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.794 -8.166 -10.004 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.094 -9.303 -9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.754 -8.559 -12.025 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.223 -11.863 -13.797 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.845 -10.344 -13.972 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.442 -8.254 -12.266 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.732 -8.818 -12.572 1.00 0.00 C ATOM 1146 C PRO A 81 -5.790 -10.317 -12.333 1.00 0.00 C ATOM 1147 O PRO A 81 -6.866 -10.892 -12.463 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.913 -8.534 -14.045 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.500 -8.499 -14.623 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.672 -7.956 -13.469 1.00 0.00 C ATOM 0 HA PRO A 81 -6.507 -8.390 -11.936 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.515 -9.306 -14.524 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.427 -7.586 -14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.165 -9.490 -14.929 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.439 -7.856 -15.501 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.690 -8.428 -13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.507 -6.884 -13.574 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.663 -10.940 -11.979 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.697 -12.404 -11.754 1.00 0.00 C ATOM 1157 C ASP A 82 -4.955 -12.734 -10.276 1.00 0.00 C ATOM 1158 O ASP A 82 -4.672 -13.830 -9.798 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.468 -13.090 -12.376 1.00 0.00 C ATOM 1160 CG ASP A 82 -3.681 -14.563 -12.699 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -4.710 -14.868 -13.339 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -2.763 -15.344 -12.371 1.00 0.00 O ATOM 0 H ASP A 82 -3.757 -10.492 -11.845 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.549 -12.831 -12.283 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.194 -12.564 -13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.626 -12.997 -11.690 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.476 -11.736 -9.559 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.616 -11.703 -8.129 1.00 0.00 C ATOM 1168 C ASP A 83 -7.027 -11.200 -7.746 1.00 0.00 C ATOM 1169 O ASP A 83 -7.729 -11.816 -6.946 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.471 -10.780 -7.707 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.967 -11.173 -6.344 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.791 -11.157 -5.409 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.762 -11.502 -6.275 1.00 0.00 O ATOM 0 H ASP A 83 -5.827 -10.887 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.545 -12.668 -7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.661 -10.837 -8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.814 -9.745 -7.692 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.443 -10.095 -8.379 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.802 -9.549 -8.361 1.00 0.00 C ATOM 1179 C ARG A 84 -9.875 -10.531 -8.861 1.00 0.00 C ATOM 1180 O ARG A 84 -10.957 -10.552 -8.233 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.825 -8.298 -9.249 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.028 -7.175 -8.590 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.899 -5.945 -9.486 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.832 -6.098 -10.496 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.257 -5.061 -11.120 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.616 -3.812 -10.874 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.295 -5.216 -12.013 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.631 -11.176 -9.904 1.00 0.00 O ATOM 0 H ARG A 84 -6.808 -9.532 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.046 -9.327 -7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.403 -8.529 -10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.854 -7.977 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.512 -6.891 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.033 -7.541 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.849 -5.763 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.691 -5.070 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.517 -7.040 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.350 -3.617 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.159 -3.044 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.964 -6.152 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.883 -4.400 -12.466 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.637 8.539 6.482 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.620 11.154 8.562 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.181 10.888 4.323 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.083 6.063 4.157 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.110 6.294 8.658 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.361 10.617 6.488 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.896 11.456 7.415 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.713 12.804 6.941 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.914 12.746 5.825 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.768 11.351 5.490 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.432 13.936 5.028 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.579 13.967 7.355 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.016 13.812 6.862 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.220 14.332 5.437 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.196 15.570 5.284 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.395 13.505 4.512 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.730 8.474 4.640 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.192 9.546 3.962 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.694 9.063 2.700 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.914 7.712 2.693 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.624 7.343 3.883 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.240 9.916 1.549 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.182 6.720 1.824 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.705 6.341 0.644 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.024 6.551 6.411 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.752 5.741 5.333 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.321 4.450 5.616 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.768 4.510 6.909 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.646 5.849 7.407 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.446 3.278 4.677 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.609 3.456 7.567 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.039 2.372 8.132 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.642 8.695 8.327 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.116 7.636 9.033 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.638 8.146 10.280 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.604 9.524 10.205 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.911 9.858 8.981 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.090 7.316 11.460 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.112 10.512 11.240 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.521 10.278 11.777 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.893 11.336 12.809 1.00 0.00 C HETATM 1241 O1D HEM A 201 -7.073 10.947 13.982 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.970 12.515 12.403 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.538 13.661 4.469 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.198 14.757 5.706 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.212 14.249 4.334 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 -0.793 10.855 1.552 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 -0.423 9.390 0.612 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 0.826 10.123 1.647 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.550 3.641 3.654 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.324 2.690 4.944 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.555 2.655 4.752 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.927 7.875 12.382 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.519 6.388 11.492 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.151 7.086 11.358 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.174 5.624 0.018 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.660 6.751 0.314 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.662 1.614 8.607 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -2.956 2.254 8.114 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.685 14.346 7.537 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.296 12.759 6.902 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.158 14.892 6.960 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.575 14.053 8.442 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.583 9.287 12.227 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.236 10.299 10.955 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.075 11.510 10.804 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.421 10.507 12.083 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.979 11.975 9.166 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.696 11.598 3.669 1.00 0.00 H new HETATM 0 HHC HEM A 201 -1.914 5.285 3.427 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.479 5.561 9.361 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.773 6.309 2.153 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.693 3.568 7.589 1.00 0.00 H new