USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 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 71 SER OG : rot 72:sc= 0.256 USER MOD Set 1.2: A 201 HEM CMB :methyl -30:sc= -0.23 (180deg=-0.641) USER MOD Set 2.1: A 21 THR OG1 : rot -130:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot -100:sc= -0.0646 USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.15) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 167:sc= 1.13 USER MOD Single : A 8 THR OG1 : rot -141:sc= 2.04 USER MOD Single : A 13 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.66) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-0.95) USER MOD Single : A 16 ASN : amide:sc= -1.04 K(o=-1,f=-3.2!) USER MOD Single : A 17 ASN : amide:sc= 0.805 K(o=0.8,f=-6.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.051 USER MOD Single : A 26 HIS : no HE2:sc= -0.552 X(o=-0.55,f=-0.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.975) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.325 K(o=-0.32,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 17:sc= 0.834 USER MOD Single : A 57 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.0021) USER MOD Single : A 64 SER OG : rot 25:sc= 0.0182 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= -0.0531 (180deg=-0.121) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-3.2) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.17 (180deg=-0.31) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.425 (180deg=-0.425) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.117 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 4.439 -4.936 -17.950 1.00 10.00 N ATOM 2 CA ALA A 3 3.639 -6.142 -17.674 1.00 10.00 C ATOM 3 C ALA A 3 2.474 -5.699 -16.798 1.00 10.00 C ATOM 4 O ALA A 3 2.521 -4.557 -16.345 1.00 10.00 O ATOM 5 CB ALA A 3 4.486 -7.222 -16.990 1.00 10.00 C ATOM 0 HA ALA A 3 3.273 -6.591 -18.597 1.00 10.00 H new ATOM 0 HB1 ALA A 3 3.870 -8.100 -16.798 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.318 -7.497 -17.638 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.873 -6.837 -16.046 1.00 10.00 H new ATOM 13 N VAL A 4 1.461 -6.541 -16.586 1.00 10.00 N ATOM 14 CA VAL A 4 0.345 -6.239 -15.701 1.00 10.00 C ATOM 15 C VAL A 4 -0.236 -7.559 -15.194 1.00 10.00 C ATOM 16 O VAL A 4 0.047 -8.628 -15.754 1.00 10.00 O ATOM 17 CB VAL A 4 -0.685 -5.335 -16.418 1.00 10.00 C ATOM 18 CG1 VAL A 4 -1.393 -6.019 -17.599 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.718 -4.735 -15.453 1.00 10.00 C ATOM 0 H VAL A 4 1.396 -7.457 -17.029 1.00 10.00 H new ATOM 0 HA VAL A 4 0.673 -5.668 -14.832 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.089 -4.521 -16.831 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -2.100 -5.324 -18.052 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -0.654 -6.320 -18.342 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.928 -6.899 -17.242 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.416 -4.110 -16.010 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.265 -5.539 -14.960 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.207 -4.130 -14.703 1.00 10.00 H new ATOM 29 N LYS A 5 -1.003 -7.488 -14.108 1.00 10.00 N ATOM 30 CA LYS A 5 -1.748 -8.592 -13.538 1.00 10.00 C ATOM 31 C LYS A 5 -2.636 -8.008 -12.448 1.00 10.00 C ATOM 32 O LYS A 5 -2.149 -7.280 -11.590 1.00 10.00 O ATOM 33 CB LYS A 5 -0.793 -9.668 -12.993 1.00 10.00 C ATOM 34 CG LYS A 5 -1.102 -11.025 -13.636 1.00 10.00 C ATOM 35 CD LYS A 5 0.091 -11.985 -13.517 1.00 10.00 C ATOM 36 CE LYS A 5 0.709 -12.261 -14.895 1.00 10.00 C ATOM 37 NZ LYS A 5 1.243 -11.037 -15.534 1.00 10.00 N ATOM 0 H LYS A 5 -1.123 -6.621 -13.585 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.361 -9.088 -14.290 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.240 -9.386 -13.199 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.894 -9.739 -11.910 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.976 -11.466 -13.156 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.353 -10.883 -14.687 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.844 -11.556 -12.855 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.234 -12.922 -13.065 1.00 10.00 H new ATOM 0 HE2 LYS A 5 1.511 -12.991 -14.790 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -0.044 -12.707 -15.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 1.446 -11.229 -16.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 0.541 -10.273 -15.463 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 2.119 -10.748 -15.053 1.00 10.00 H new ATOM 51 N TYR A 6 -3.939 -8.261 -12.524 1.00 10.00 N ATOM 52 CA TYR A 6 -4.878 -7.736 -11.554 1.00 10.00 C ATOM 53 C TYR A 6 -4.883 -8.647 -10.329 1.00 10.00 C ATOM 54 O TYR A 6 -4.600 -9.837 -10.467 1.00 10.00 O ATOM 55 CB TYR A 6 -6.269 -7.616 -12.177 1.00 10.00 C ATOM 56 CG TYR A 6 -6.294 -7.064 -13.588 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.199 -7.943 -14.683 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.351 -5.675 -13.806 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.130 -7.433 -15.990 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.307 -5.168 -15.117 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.207 -6.049 -16.208 1.00 10.00 C ATOM 62 OH TYR A 6 -6.189 -5.569 -17.483 1.00 10.00 O ATOM 0 H TYR A 6 -4.365 -8.831 -13.255 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.577 -6.736 -11.242 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.735 -8.601 -12.180 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.881 -6.976 -11.542 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.179 -9.010 -14.518 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.428 -4.999 -12.967 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.018 -8.106 -16.827 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.350 -4.102 -15.286 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.251 -4.591 -17.465 1.00 10.00 H new ATOM 72 N TYR A 7 -5.200 -8.110 -9.149 1.00 10.00 N ATOM 73 CA TYR A 7 -5.251 -8.889 -7.918 1.00 10.00 C ATOM 74 C TYR A 7 -6.607 -8.680 -7.245 1.00 10.00 C ATOM 75 O TYR A 7 -7.144 -7.570 -7.262 1.00 10.00 O ATOM 76 CB TYR A 7 -4.087 -8.496 -7.006 1.00 10.00 C ATOM 77 CG TYR A 7 -2.732 -8.481 -7.685 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.101 -9.684 -8.054 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.128 -7.254 -8.002 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.878 -9.653 -8.748 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.906 -7.225 -8.688 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.296 -8.421 -9.095 1.00 10.00 C ATOM 83 OH TYR A 7 0.834 -8.389 -9.857 1.00 10.00 O ATOM 0 H TYR A 7 -5.428 -7.124 -9.024 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.146 -9.951 -8.138 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.283 -7.506 -6.594 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.050 -9.190 -6.166 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.556 -10.631 -7.804 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.607 -6.329 -7.716 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.385 -10.576 -9.015 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.432 -6.279 -8.904 1.00 10.00 H new ATOM 0 HH TYR A 7 0.989 -7.475 -10.174 1.00 10.00 H new ATOM 93 N THR A 8 -7.184 -9.762 -6.715 1.00 10.00 N ATOM 94 CA THR A 8 -8.479 -9.743 -6.048 1.00 10.00 C ATOM 95 C THR A 8 -8.320 -9.121 -4.664 1.00 10.00 C ATOM 96 O THR A 8 -7.230 -9.178 -4.091 1.00 10.00 O ATOM 97 CB THR A 8 -9.057 -11.170 -5.951 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.443 -11.883 -4.895 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.920 -11.947 -7.264 1.00 10.00 C ATOM 0 H THR A 8 -6.755 -10.687 -6.740 1.00 10.00 H new ATOM 0 HA THR A 8 -9.180 -9.142 -6.628 1.00 10.00 H new ATOM 0 HB THR A 8 -10.123 -11.068 -5.745 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.299 -12.813 -5.168 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.342 -12.945 -7.142 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.454 -11.421 -8.055 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.866 -12.029 -7.530 1.00 10.00 H new ATOM 107 N LEU A 9 -9.401 -8.573 -4.098 1.00 10.00 N ATOM 108 CA LEU A 9 -9.391 -8.090 -2.727 1.00 10.00 C ATOM 109 C LEU A 9 -8.840 -9.179 -1.806 1.00 10.00 C ATOM 110 O LEU A 9 -8.009 -8.895 -0.953 1.00 10.00 O ATOM 111 CB LEU A 9 -10.805 -7.656 -2.297 1.00 10.00 C ATOM 112 CG LEU A 9 -10.825 -6.258 -1.643 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.263 -5.743 -1.508 1.00 10.00 C ATOM 114 CD2 LEU A 9 -10.160 -6.228 -0.260 1.00 10.00 C ATOM 0 H LEU A 9 -10.294 -8.456 -4.577 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.744 -7.216 -2.656 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.461 -7.655 -3.168 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.208 -8.387 -1.596 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.249 -5.613 -2.306 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.254 -4.756 -1.045 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.720 -5.676 -2.495 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.839 -6.430 -0.888 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -10.208 -5.217 0.145 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.682 -6.912 0.410 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -9.118 -6.534 -0.351 1.00 10.00 H new ATOM 126 N GLU A 10 -9.277 -10.428 -2.001 1.00 10.00 N ATOM 127 CA GLU A 10 -8.846 -11.562 -1.197 1.00 10.00 C ATOM 128 C GLU A 10 -7.337 -11.779 -1.303 1.00 10.00 C ATOM 129 O GLU A 10 -6.623 -11.802 -0.301 1.00 10.00 O ATOM 130 CB GLU A 10 -9.597 -12.820 -1.635 1.00 10.00 C ATOM 131 CG GLU A 10 -9.434 -13.950 -0.607 1.00 10.00 C ATOM 132 CD GLU A 10 -10.105 -13.635 0.724 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.353 -13.676 0.753 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.355 -13.361 1.686 1.00 10.00 O ATOM 0 H GLU A 10 -9.946 -10.676 -2.730 1.00 10.00 H new ATOM 0 HA GLU A 10 -9.076 -11.349 -0.153 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.655 -12.590 -1.762 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.224 -13.150 -2.605 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.856 -14.869 -1.013 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.373 -14.133 -0.440 1.00 10.00 H new ATOM 141 N GLU A 11 -6.841 -11.954 -2.528 1.00 10.00 N ATOM 142 CA GLU A 11 -5.421 -12.139 -2.765 1.00 10.00 C ATOM 143 C GLU A 11 -4.634 -11.002 -2.114 1.00 10.00 C ATOM 144 O GLU A 11 -3.660 -11.241 -1.408 1.00 10.00 O ATOM 145 CB GLU A 11 -5.132 -12.218 -4.270 1.00 10.00 C ATOM 146 CG GLU A 11 -4.922 -13.667 -4.730 1.00 10.00 C ATOM 147 CD GLU A 11 -6.168 -14.519 -4.535 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.194 -14.155 -5.153 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.069 -15.507 -3.775 1.00 10.00 O ATOM 0 H GLU A 11 -7.412 -11.971 -3.373 1.00 10.00 H new ATOM 0 HA GLU A 11 -5.105 -13.080 -2.315 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.961 -11.776 -4.824 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.244 -11.630 -4.502 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.640 -13.675 -5.783 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.093 -14.106 -4.175 1.00 10.00 H new ATOM 156 N ILE A 12 -5.061 -9.759 -2.330 1.00 10.00 N ATOM 157 CA ILE A 12 -4.388 -8.615 -1.739 1.00 10.00 C ATOM 158 C ILE A 12 -4.430 -8.728 -0.206 1.00 10.00 C ATOM 159 O ILE A 12 -3.401 -8.596 0.455 1.00 10.00 O ATOM 160 CB ILE A 12 -5.005 -7.312 -2.279 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.823 -7.215 -3.807 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.349 -6.104 -1.600 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.840 -6.264 -4.443 1.00 10.00 C ATOM 0 H ILE A 12 -5.867 -9.524 -2.909 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.335 -8.598 -2.022 1.00 10.00 H new ATOM 0 HB ILE A 12 -6.072 -7.317 -2.057 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.814 -6.870 -4.031 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.927 -8.206 -4.249 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.790 -5.185 -1.987 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.511 -6.159 -0.524 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.279 -6.107 -1.806 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.677 -6.224 -5.520 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.849 -6.623 -4.242 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.719 -5.266 -4.021 1.00 10.00 H new ATOM 175 N GLN A 13 -5.604 -9.016 0.362 1.00 10.00 N ATOM 176 CA GLN A 13 -5.810 -9.265 1.780 1.00 10.00 C ATOM 177 C GLN A 13 -4.830 -10.306 2.312 1.00 10.00 C ATOM 178 O GLN A 13 -4.230 -10.084 3.354 1.00 10.00 O ATOM 179 CB GLN A 13 -7.268 -9.661 2.051 1.00 10.00 C ATOM 180 CG GLN A 13 -8.171 -8.451 2.346 1.00 10.00 C ATOM 181 CD GLN A 13 -8.519 -8.317 3.830 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.796 -8.777 4.710 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.668 -7.711 4.127 1.00 10.00 N ATOM 0 H GLN A 13 -6.466 -9.083 -0.179 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.611 -8.340 2.321 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.660 -10.199 1.188 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.302 -10.348 2.897 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.672 -7.541 2.011 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -9.091 -8.541 1.769 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.254 -7.336 3.381 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.961 -7.622 5.100 1.00 10.00 H new ATOM 192 N LYS A 14 -4.612 -11.419 1.609 1.00 10.00 N ATOM 193 CA LYS A 14 -3.666 -12.434 2.058 1.00 10.00 C ATOM 194 C LYS A 14 -2.260 -11.854 2.314 1.00 10.00 C ATOM 195 O LYS A 14 -1.496 -12.419 3.096 1.00 10.00 O ATOM 196 CB LYS A 14 -3.604 -13.599 1.059 1.00 10.00 C ATOM 197 CG LYS A 14 -4.886 -14.450 0.982 1.00 10.00 C ATOM 198 CD LYS A 14 -4.539 -15.938 1.166 1.00 10.00 C ATOM 199 CE LYS A 14 -5.618 -16.860 0.580 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.423 -18.265 0.996 1.00 10.00 N ATOM 0 H LYS A 14 -5.078 -11.637 0.728 1.00 10.00 H new ATOM 0 HA LYS A 14 -4.032 -12.812 3.013 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.390 -13.199 0.068 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.770 -14.247 1.328 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.590 -14.134 1.752 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.376 -14.298 0.020 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.583 -16.149 0.686 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.417 -16.153 2.228 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.602 -16.519 0.902 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.599 -16.797 -0.508 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -6.171 -18.857 0.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.494 -18.599 0.667 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.467 -18.329 2.033 1.00 10.00 H new ATOM 214 N HIS A 15 -1.901 -10.740 1.668 1.00 10.00 N ATOM 215 CA HIS A 15 -0.580 -10.124 1.780 1.00 10.00 C ATOM 216 C HIS A 15 -0.592 -9.018 2.847 1.00 10.00 C ATOM 217 O HIS A 15 -0.425 -7.833 2.539 1.00 10.00 O ATOM 218 CB HIS A 15 -0.124 -9.617 0.405 1.00 10.00 C ATOM 219 CG HIS A 15 0.327 -10.696 -0.549 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.554 -10.762 -1.170 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.421 -11.747 -1.008 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.548 -11.843 -1.968 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.369 -12.479 -1.899 1.00 10.00 N ATOM 0 H HIS A 15 -2.531 -10.236 1.044 1.00 10.00 H new ATOM 0 HA HIS A 15 0.146 -10.867 2.109 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.945 -9.066 -0.054 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.695 -8.911 0.547 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.441 -11.971 -0.731 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.379 -12.157 -2.582 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.102 -13.328 -2.398 1.00 10.00 H new ATOM 231 N ASN A 16 -0.751 -9.432 4.111 1.00 10.00 N ATOM 232 CA ASN A 16 -0.797 -8.569 5.293 1.00 10.00 C ATOM 233 C ASN A 16 -0.047 -9.198 6.463 1.00 10.00 C ATOM 234 O ASN A 16 -0.593 -9.345 7.562 1.00 10.00 O ATOM 235 CB ASN A 16 -2.247 -8.257 5.690 1.00 10.00 C ATOM 236 CG ASN A 16 -3.116 -9.495 5.912 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.629 -10.623 5.968 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.427 -9.295 5.997 1.00 10.00 N ATOM 0 H ASN A 16 -0.855 -10.419 4.345 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.303 -7.632 5.037 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.242 -7.662 6.603 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.701 -7.643 4.912 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.058 -10.088 6.112 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.803 -8.348 5.947 1.00 10.00 H new ATOM 245 N ASN A 17 1.231 -9.525 6.259 1.00 10.00 N ATOM 246 CA ASN A 17 2.045 -10.138 7.305 1.00 10.00 C ATOM 247 C ASN A 17 3.458 -9.561 7.306 1.00 10.00 C ATOM 248 O ASN A 17 3.800 -8.764 6.434 1.00 10.00 O ATOM 249 CB ASN A 17 2.026 -11.668 7.169 1.00 10.00 C ATOM 250 CG ASN A 17 1.994 -12.331 8.544 1.00 10.00 C ATOM 251 OD1 ASN A 17 2.852 -12.065 9.381 1.00 10.00 O ATOM 252 ND2 ASN A 17 0.991 -13.162 8.808 1.00 10.00 N ATOM 0 H ASN A 17 1.722 -9.375 5.378 1.00 10.00 H new ATOM 0 HA ASN A 17 1.615 -9.898 8.277 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.155 -11.976 6.591 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.907 -12.000 6.620 1.00 10.00 H new ATOM 0 HD21 ASN A 17 0.919 -13.599 9.727 1.00 10.00 H new ATOM 0 HD22 ASN A 17 0.293 -13.363 8.092 1.00 10.00 H new ATOM 259 N SER A 18 4.277 -9.950 8.288 1.00 10.00 N ATOM 260 CA SER A 18 5.630 -9.441 8.496 1.00 10.00 C ATOM 261 C SER A 18 6.585 -10.032 7.445 1.00 10.00 C ATOM 262 O SER A 18 7.529 -10.745 7.776 1.00 10.00 O ATOM 263 CB SER A 18 6.058 -9.732 9.951 1.00 10.00 C ATOM 264 OG SER A 18 6.729 -8.618 10.504 1.00 10.00 O ATOM 0 H SER A 18 4.005 -10.649 8.979 1.00 10.00 H new ATOM 0 HA SER A 18 5.663 -8.360 8.359 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.181 -9.971 10.553 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.710 -10.605 9.976 1.00 10.00 H new ATOM 0 HG SER A 18 6.991 -8.819 11.427 1.00 10.00 H new ATOM 270 N LYS A 19 6.305 -9.753 6.169 1.00 10.00 N ATOM 271 CA LYS A 19 6.950 -10.337 4.998 1.00 10.00 C ATOM 272 C LYS A 19 6.377 -9.760 3.706 1.00 10.00 C ATOM 273 O LYS A 19 7.089 -9.672 2.708 1.00 10.00 O ATOM 274 CB LYS A 19 6.773 -11.862 4.980 1.00 10.00 C ATOM 275 CG LYS A 19 7.366 -12.493 3.707 1.00 10.00 C ATOM 276 CD LYS A 19 7.839 -13.929 3.969 1.00 10.00 C ATOM 277 CE LYS A 19 9.271 -13.941 4.530 1.00 10.00 C ATOM 278 NZ LYS A 19 10.290 -13.909 3.458 1.00 10.00 N ATOM 0 H LYS A 19 5.584 -9.078 5.916 1.00 10.00 H new ATOM 0 HA LYS A 19 8.010 -10.093 5.061 1.00 10.00 H new ATOM 0 HB2 LYS A 19 7.254 -12.294 5.857 1.00 10.00 H new ATOM 0 HB3 LYS A 19 5.713 -12.105 5.046 1.00 10.00 H new ATOM 0 HG2 LYS A 19 6.617 -12.493 2.915 1.00 10.00 H new ATOM 0 HG3 LYS A 19 8.203 -11.890 3.355 1.00 10.00 H new ATOM 0 HD2 LYS A 19 7.164 -14.416 4.673 1.00 10.00 H new ATOM 0 HD3 LYS A 19 7.802 -14.503 3.043 1.00 10.00 H new ATOM 0 HE2 LYS A 19 9.410 -13.082 5.187 1.00 10.00 H new ATOM 0 HE3 LYS A 19 9.414 -14.834 5.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 11.240 -13.918 3.882 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 10.176 -14.742 2.845 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 10.172 -13.044 2.892 1.00 10.00 H new ATOM 292 N SER A 20 5.075 -9.466 3.677 1.00 10.00 N ATOM 293 CA SER A 20 4.433 -8.894 2.513 1.00 10.00 C ATOM 294 C SER A 20 3.343 -7.923 2.954 1.00 10.00 C ATOM 295 O SER A 20 2.491 -8.268 3.777 1.00 10.00 O ATOM 296 CB SER A 20 3.906 -10.010 1.619 1.00 10.00 C ATOM 297 OG SER A 20 4.978 -10.860 1.254 1.00 10.00 O ATOM 0 H SER A 20 4.445 -9.621 4.464 1.00 10.00 H new ATOM 0 HA SER A 20 5.150 -8.323 1.924 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.137 -10.579 2.142 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.440 -9.589 0.728 1.00 10.00 H new ATOM 0 HG SER A 20 4.643 -11.580 0.680 1.00 10.00 H new ATOM 303 N THR A 21 3.415 -6.710 2.400 1.00 10.00 N ATOM 304 CA THR A 21 2.536 -5.585 2.649 1.00 10.00 C ATOM 305 C THR A 21 2.042 -5.109 1.293 1.00 10.00 C ATOM 306 O THR A 21 2.703 -4.297 0.639 1.00 10.00 O ATOM 307 CB THR A 21 3.323 -4.489 3.379 1.00 10.00 C ATOM 308 OG1 THR A 21 3.659 -4.964 4.666 1.00 10.00 O ATOM 309 CG2 THR A 21 2.593 -3.140 3.469 1.00 10.00 C ATOM 0 H THR A 21 4.141 -6.482 1.721 1.00 10.00 H new ATOM 0 HA THR A 21 1.687 -5.854 3.278 1.00 10.00 H new ATOM 0 HB THR A 21 4.217 -4.283 2.790 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.408 -4.296 5.337 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.219 -2.422 4.000 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.388 -2.770 2.465 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.654 -3.270 4.007 1.00 10.00 H new ATOM 317 N TRP A 22 0.900 -5.654 0.875 1.00 10.00 N ATOM 318 CA TRP A 22 0.145 -5.145 -0.255 1.00 10.00 C ATOM 319 C TRP A 22 -0.996 -4.318 0.310 1.00 10.00 C ATOM 320 O TRP A 22 -1.132 -4.235 1.525 1.00 10.00 O ATOM 321 CB TRP A 22 -0.392 -6.313 -1.072 1.00 10.00 C ATOM 322 CG TRP A 22 0.623 -7.140 -1.791 1.00 10.00 C ATOM 323 CD1 TRP A 22 1.952 -7.162 -1.558 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.419 -7.997 -2.948 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.577 -7.963 -2.477 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.684 -8.488 -3.386 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.711 -8.369 -3.699 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.822 -9.292 -4.526 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.595 -9.220 -4.808 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.670 -9.655 -5.245 1.00 10.00 C ATOM 0 H TRP A 22 0.475 -6.468 1.319 1.00 10.00 H new ATOM 0 HA TRP A 22 0.767 -4.535 -0.910 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.956 -6.966 -0.406 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.097 -5.922 -1.806 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.450 -6.626 -0.763 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.580 -8.148 -2.487 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.683 -7.993 -3.417 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.797 -9.627 -4.847 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.483 -9.544 -5.330 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.756 -10.267 -6.131 1.00 10.00 H new ATOM 341 N LEU A 23 -1.803 -3.697 -0.547 1.00 10.00 N ATOM 342 CA LEU A 23 -2.927 -2.845 -0.177 1.00 10.00 C ATOM 343 C LEU A 23 -3.483 -2.229 -1.454 1.00 10.00 C ATOM 344 O LEU A 23 -2.839 -2.342 -2.497 1.00 10.00 O ATOM 345 CB LEU A 23 -2.541 -1.771 0.854 1.00 10.00 C ATOM 346 CG LEU A 23 -1.176 -1.113 0.596 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.216 -0.172 -0.604 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.735 -0.350 1.840 1.00 10.00 C ATOM 0 H LEU A 23 -1.686 -3.778 -1.557 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.691 -3.448 0.314 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.309 -0.998 0.862 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.533 -2.222 1.846 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.460 -1.903 0.370 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.231 0.272 -0.751 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.499 -0.731 -1.496 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.946 0.617 -0.424 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.233 0.116 1.657 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.470 0.420 2.074 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.652 -1.040 2.680 1.00 10.00 H new ATOM 360 N ILE A 24 -4.658 -1.597 -1.376 1.00 10.00 N ATOM 361 CA ILE A 24 -5.299 -0.945 -2.516 1.00 10.00 C ATOM 362 C ILE A 24 -5.383 0.550 -2.236 1.00 10.00 C ATOM 363 O ILE A 24 -6.027 0.968 -1.266 1.00 10.00 O ATOM 364 CB ILE A 24 -6.691 -1.537 -2.775 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.575 -3.013 -3.171 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.425 -0.791 -3.899 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.739 -3.807 -2.567 1.00 10.00 C ATOM 0 H ILE A 24 -5.194 -1.524 -0.511 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.707 -1.114 -3.415 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.259 -1.434 -1.850 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.582 -3.109 -4.257 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.626 -3.419 -2.821 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.407 -1.239 -4.053 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.544 0.257 -3.623 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.846 -0.860 -4.820 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.651 -4.855 -2.852 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.712 -3.723 -1.481 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.683 -3.408 -2.938 1.00 10.00 H new ATOM 379 N LEU A 25 -4.722 1.334 -3.092 1.00 10.00 N ATOM 380 CA LEU A 25 -4.765 2.787 -3.117 1.00 10.00 C ATOM 381 C LEU A 25 -5.317 3.165 -4.491 1.00 10.00 C ATOM 382 O LEU A 25 -4.619 3.054 -5.495 1.00 10.00 O ATOM 383 CB LEU A 25 -3.349 3.351 -2.908 1.00 10.00 C ATOM 384 CG LEU A 25 -2.833 3.632 -1.498 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.583 2.828 -0.466 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.319 3.416 -1.391 1.00 10.00 C ATOM 0 H LEU A 25 -4.116 0.949 -3.817 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.391 3.197 -2.324 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.652 2.655 -3.374 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.288 4.285 -3.466 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.020 4.686 -1.291 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.190 3.052 0.526 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.642 3.085 -0.504 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.460 1.765 -0.673 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.993 3.626 -0.373 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.080 2.383 -1.642 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.806 4.085 -2.082 1.00 10.00 H new ATOM 398 N HIS A 26 -6.585 3.577 -4.541 1.00 10.00 N ATOM 399 CA HIS A 26 -7.259 4.030 -5.754 1.00 10.00 C ATOM 400 C HIS A 26 -7.278 2.935 -6.818 1.00 10.00 C ATOM 401 O HIS A 26 -6.937 3.176 -7.975 1.00 10.00 O ATOM 402 CB HIS A 26 -6.636 5.317 -6.308 1.00 10.00 C ATOM 403 CG HIS A 26 -6.449 6.396 -5.281 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.396 7.300 -4.868 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.309 6.622 -4.563 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.827 8.061 -3.920 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.552 7.693 -3.701 1.00 10.00 N ATOM 0 H HIS A 26 -7.185 3.605 -3.717 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.289 4.257 -5.480 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.669 5.079 -6.750 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.268 5.698 -7.110 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -8.352 7.379 -5.216 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.384 6.070 -4.647 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.328 8.864 -3.401 1.00 10.00 H new ATOM 415 N TYR A 27 -7.665 1.724 -6.415 1.00 10.00 N ATOM 416 CA TYR A 27 -7.788 0.575 -7.303 1.00 10.00 C ATOM 417 C TYR A 27 -6.438 0.134 -7.872 1.00 10.00 C ATOM 418 O TYR A 27 -6.406 -0.623 -8.841 1.00 10.00 O ATOM 419 CB TYR A 27 -8.805 0.862 -8.421 1.00 10.00 C ATOM 420 CG TYR A 27 -10.083 1.528 -7.947 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.762 1.016 -6.827 1.00 10.00 C ATOM 422 CD2 TYR A 27 -10.549 2.703 -8.566 1.00 10.00 C ATOM 423 CE1 TYR A 27 -11.928 1.639 -6.361 1.00 10.00 C ATOM 424 CE2 TYR A 27 -11.731 3.315 -8.111 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.431 2.767 -7.021 1.00 10.00 C ATOM 426 OH TYR A 27 -13.616 3.300 -6.614 1.00 10.00 O ATOM 0 H TYR A 27 -7.905 1.514 -5.446 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.159 -0.260 -6.708 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.334 1.498 -9.170 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.059 -0.076 -8.914 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.383 0.139 -6.324 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.000 3.134 -9.390 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.439 1.249 -5.493 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.101 4.205 -8.598 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.832 4.079 -7.168 1.00 10.00 H new ATOM 436 N LYS A 28 -5.331 0.594 -7.281 1.00 10.00 N ATOM 437 CA LYS A 28 -3.987 0.264 -7.710 1.00 10.00 C ATOM 438 C LYS A 28 -3.294 -0.438 -6.548 1.00 10.00 C ATOM 439 O LYS A 28 -3.308 0.072 -5.423 1.00 10.00 O ATOM 440 CB LYS A 28 -3.246 1.535 -8.130 1.00 10.00 C ATOM 441 CG LYS A 28 -4.060 2.394 -9.111 1.00 10.00 C ATOM 442 CD LYS A 28 -3.222 2.769 -10.333 1.00 10.00 C ATOM 443 CE LYS A 28 -3.876 3.894 -11.145 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.974 3.533 -12.577 1.00 10.00 N ATOM 0 H LYS A 28 -5.355 1.219 -6.475 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.000 -0.397 -8.577 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.012 2.125 -7.244 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.297 1.263 -8.592 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.948 1.848 -9.428 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.404 3.299 -8.610 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.229 3.082 -10.011 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.090 1.892 -10.967 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.871 4.100 -10.750 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.294 4.810 -11.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.567 4.230 -13.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.024 3.526 -12.999 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.401 2.589 -12.669 1.00 10.00 H new ATOM 458 N VAL A 29 -2.745 -1.624 -6.819 1.00 10.00 N ATOM 459 CA VAL A 29 -2.046 -2.427 -5.833 1.00 10.00 C ATOM 460 C VAL A 29 -0.556 -2.096 -5.858 1.00 10.00 C ATOM 461 O VAL A 29 0.051 -1.967 -6.926 1.00 10.00 O ATOM 462 CB VAL A 29 -2.297 -3.922 -6.067 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.932 -4.739 -4.820 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.767 -4.171 -6.406 1.00 10.00 C ATOM 0 H VAL A 29 -2.778 -2.053 -7.744 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.432 -2.188 -4.842 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.669 -4.236 -6.901 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.118 -5.796 -5.010 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.878 -4.593 -4.585 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.540 -4.409 -3.978 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.927 -5.237 -6.569 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.393 -3.832 -5.581 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.030 -3.622 -7.310 1.00 10.00 H new ATOM 474 N TYR A 30 0.015 -1.965 -4.661 1.00 10.00 N ATOM 475 CA TYR A 30 1.390 -1.570 -4.429 1.00 10.00 C ATOM 476 C TYR A 30 2.015 -2.595 -3.483 1.00 10.00 C ATOM 477 O TYR A 30 1.630 -2.648 -2.317 1.00 10.00 O ATOM 478 CB TYR A 30 1.366 -0.157 -3.830 1.00 10.00 C ATOM 479 CG TYR A 30 0.777 0.881 -4.770 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.447 1.183 -5.964 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.493 1.437 -4.539 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.865 2.052 -6.902 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.015 2.396 -5.432 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.332 2.707 -6.611 1.00 10.00 C ATOM 485 OH TYR A 30 -0.788 3.689 -7.441 1.00 10.00 O ATOM 0 H TYR A 30 -0.495 -2.140 -3.795 1.00 10.00 H new ATOM 0 HA TYR A 30 1.987 -1.546 -5.341 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.788 -0.171 -2.906 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.382 0.136 -3.566 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.414 0.746 -6.163 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.069 1.130 -3.678 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.347 2.214 -7.855 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -1.947 2.892 -5.204 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.635 4.042 -7.096 1.00 10.00 H new ATOM 495 N ASP A 31 2.943 -3.419 -3.982 1.00 10.00 N ATOM 496 CA ASP A 31 3.709 -4.350 -3.155 1.00 10.00 C ATOM 497 C ASP A 31 4.891 -3.589 -2.586 1.00 10.00 C ATOM 498 O ASP A 31 5.832 -3.314 -3.326 1.00 10.00 O ATOM 499 CB ASP A 31 4.240 -5.518 -3.996 1.00 10.00 C ATOM 500 CG ASP A 31 5.190 -6.424 -3.218 1.00 10.00 C ATOM 501 OD1 ASP A 31 4.882 -6.702 -2.037 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.164 -6.898 -3.836 1.00 10.00 O ATOM 0 H ASP A 31 3.182 -3.457 -4.973 1.00 10.00 H new ATOM 0 HA ASP A 31 3.069 -4.751 -2.369 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.400 -6.108 -4.361 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.756 -5.124 -4.871 1.00 10.00 H new ATOM 507 N LEU A 32 4.840 -3.203 -1.309 1.00 10.00 N ATOM 508 CA LEU A 32 5.950 -2.506 -0.699 1.00 10.00 C ATOM 509 C LEU A 32 6.764 -3.494 0.128 1.00 10.00 C ATOM 510 O LEU A 32 7.664 -4.132 -0.407 1.00 10.00 O ATOM 511 CB LEU A 32 5.493 -1.236 0.028 1.00 10.00 C ATOM 512 CG LEU A 32 4.639 -0.332 -0.881 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.171 -0.539 -0.505 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.093 1.122 -0.744 1.00 10.00 C ATOM 0 H LEU A 32 4.045 -3.364 -0.691 1.00 10.00 H new ATOM 0 HA LEU A 32 6.629 -2.120 -1.459 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.917 -1.510 0.912 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.365 -0.682 0.375 1.00 10.00 H new ATOM 0 HG LEU A 32 4.762 -0.592 -1.932 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.542 0.090 -1.134 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.901 -1.585 -0.653 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.022 -0.270 0.541 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.485 1.755 -1.390 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.979 1.443 0.291 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.140 1.205 -1.036 1.00 10.00 H new ATOM 526 N THR A 33 6.467 -3.621 1.424 1.00 10.00 N ATOM 527 CA THR A 33 7.137 -4.496 2.382 1.00 10.00 C ATOM 528 C THR A 33 8.594 -4.085 2.640 1.00 10.00 C ATOM 529 O THR A 33 8.953 -3.668 3.737 1.00 10.00 O ATOM 530 CB THR A 33 6.897 -5.986 2.058 1.00 10.00 C ATOM 531 OG1 THR A 33 6.419 -6.626 3.229 1.00 10.00 O ATOM 532 CG2 THR A 33 8.109 -6.767 1.538 1.00 10.00 C ATOM 0 H THR A 33 5.712 -3.086 1.853 1.00 10.00 H new ATOM 0 HA THR A 33 6.670 -4.358 3.357 1.00 10.00 H new ATOM 0 HB THR A 33 6.180 -5.991 1.237 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.155 -7.105 3.664 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.821 -7.800 1.345 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.466 -6.312 0.614 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.903 -6.745 2.284 1.00 10.00 H new ATOM 540 N LYS A 34 9.437 -4.092 1.613 1.00 10.00 N ATOM 541 CA LYS A 34 10.830 -3.708 1.732 1.00 10.00 C ATOM 542 C LYS A 34 10.950 -2.194 1.933 1.00 10.00 C ATOM 543 O LYS A 34 12.025 -1.702 2.254 1.00 10.00 O ATOM 544 CB LYS A 34 11.580 -4.206 0.489 1.00 10.00 C ATOM 545 CG LYS A 34 13.084 -4.302 0.762 1.00 10.00 C ATOM 546 CD LYS A 34 13.796 -4.982 -0.412 1.00 10.00 C ATOM 547 CE LYS A 34 15.319 -4.926 -0.217 1.00 10.00 C ATOM 548 NZ LYS A 34 15.927 -3.781 -0.926 1.00 10.00 N ATOM 0 H LYS A 34 9.166 -4.367 0.669 1.00 10.00 H new ATOM 0 HA LYS A 34 11.284 -4.168 2.610 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.196 -5.183 0.195 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.400 -3.528 -0.345 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.496 -3.305 0.918 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.259 -4.866 1.678 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.471 -6.019 -0.492 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.524 -4.490 -1.346 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.546 -4.855 0.847 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.765 -5.853 -0.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.955 -3.781 -0.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.733 -3.861 -1.945 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.521 -2.894 -0.565 1.00 10.00 H new ATOM 562 N PHE A 35 9.841 -1.467 1.753 1.00 10.00 N ATOM 563 CA PHE A 35 9.767 -0.032 1.938 1.00 10.00 C ATOM 564 C PHE A 35 9.137 0.287 3.294 1.00 10.00 C ATOM 565 O PHE A 35 8.901 1.452 3.575 1.00 10.00 O ATOM 566 CB PHE A 35 8.918 0.559 0.808 1.00 10.00 C ATOM 567 CG PHE A 35 9.199 2.006 0.445 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.474 2.374 -0.024 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.175 2.973 0.505 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.735 3.701 -0.400 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.426 4.294 0.092 1.00 10.00 C ATOM 572 CZ PHE A 35 9.707 4.659 -0.358 1.00 10.00 C ATOM 0 H PHE A 35 8.953 -1.881 1.467 1.00 10.00 H new ATOM 0 HA PHE A 35 10.767 0.401 1.914 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.061 -0.052 -0.083 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.868 0.474 1.088 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.255 1.632 -0.095 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.196 2.699 0.869 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.726 3.986 -0.722 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.634 5.028 0.121 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.901 5.674 -0.671 1.00 10.00 H new ATOM 582 N LEU A 36 8.805 -0.707 4.131 1.00 10.00 N ATOM 583 CA LEU A 36 8.222 -0.425 5.436 1.00 10.00 C ATOM 584 C LEU A 36 9.143 0.487 6.239 1.00 10.00 C ATOM 585 O LEU A 36 8.745 1.591 6.599 1.00 10.00 O ATOM 586 CB LEU A 36 7.942 -1.729 6.192 1.00 10.00 C ATOM 587 CG LEU A 36 6.815 -2.542 5.547 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.830 -3.960 6.130 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.450 -1.904 5.785 1.00 10.00 C ATOM 0 H LEU A 36 8.931 -1.698 3.925 1.00 10.00 H new ATOM 0 HA LEU A 36 7.272 0.091 5.293 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.850 -2.331 6.223 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.677 -1.499 7.224 1.00 10.00 H new ATOM 0 HG LEU A 36 6.983 -2.569 4.470 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.031 -4.548 5.678 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.791 -4.430 5.919 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.679 -3.912 7.208 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.678 -2.510 5.312 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.259 -1.843 6.856 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.437 -0.902 5.357 1.00 10.00 H new ATOM 601 N GLU A 37 10.369 0.033 6.511 1.00 10.00 N ATOM 602 CA GLU A 37 11.335 0.821 7.265 1.00 10.00 C ATOM 603 C GLU A 37 11.608 2.165 6.577 1.00 10.00 C ATOM 604 O GLU A 37 11.775 3.188 7.238 1.00 10.00 O ATOM 605 CB GLU A 37 12.614 0.005 7.510 1.00 10.00 C ATOM 606 CG GLU A 37 13.310 -0.491 6.231 1.00 10.00 C ATOM 607 CD GLU A 37 14.643 -1.164 6.543 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.428 -0.549 7.297 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.854 -2.279 6.019 1.00 10.00 O ATOM 0 H GLU A 37 10.713 -0.881 6.217 1.00 10.00 H new ATOM 0 HA GLU A 37 10.914 1.058 8.242 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.316 0.616 8.077 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.367 -0.856 8.131 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.659 -1.194 5.711 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.475 0.349 5.556 1.00 10.00 H new ATOM 616 N GLU A 38 11.626 2.158 5.242 1.00 10.00 N ATOM 617 CA GLU A 38 11.850 3.339 4.426 1.00 10.00 C ATOM 618 C GLU A 38 10.699 4.340 4.558 1.00 10.00 C ATOM 619 O GLU A 38 10.913 5.551 4.516 1.00 10.00 O ATOM 620 CB GLU A 38 12.023 2.911 2.967 1.00 10.00 C ATOM 621 CG GLU A 38 13.217 1.965 2.768 1.00 10.00 C ATOM 622 CD GLU A 38 13.843 2.147 1.388 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.405 3.241 1.165 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.728 1.209 0.570 1.00 10.00 O ATOM 0 H GLU A 38 11.482 1.310 4.693 1.00 10.00 H new ATOM 0 HA GLU A 38 12.754 3.839 4.774 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.113 2.418 2.626 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.158 3.796 2.346 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.966 2.154 3.537 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.890 0.932 2.888 1.00 10.00 H new ATOM 631 N HIS A 39 9.468 3.840 4.666 1.00 10.00 N ATOM 632 CA HIS A 39 8.275 4.667 4.667 1.00 10.00 C ATOM 633 C HIS A 39 8.307 5.601 5.882 1.00 10.00 C ATOM 634 O HIS A 39 8.285 5.130 7.020 1.00 10.00 O ATOM 635 CB HIS A 39 7.015 3.794 4.658 1.00 10.00 C ATOM 636 CG HIS A 39 5.742 4.597 4.682 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.938 4.757 5.782 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.199 5.321 3.650 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.924 5.548 5.409 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.030 5.932 4.121 1.00 10.00 N ATOM 0 H HIS A 39 9.276 2.842 4.756 1.00 10.00 H new ATOM 0 HA HIS A 39 8.251 5.276 3.763 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.023 3.163 3.769 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.035 3.129 5.521 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.084 4.351 6.706 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.602 5.405 2.651 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.117 5.843 6.063 1.00 10.00 H new ATOM 648 N PRO A 40 8.326 6.927 5.675 1.00 10.00 N ATOM 649 CA PRO A 40 8.545 7.878 6.752 1.00 10.00 C ATOM 650 C PRO A 40 7.398 7.881 7.765 1.00 10.00 C ATOM 651 O PRO A 40 7.590 8.314 8.897 1.00 10.00 O ATOM 652 CB PRO A 40 8.749 9.235 6.073 1.00 10.00 C ATOM 653 CG PRO A 40 8.001 9.082 4.753 1.00 10.00 C ATOM 654 CD PRO A 40 8.185 7.609 4.401 1.00 10.00 C ATOM 0 HA PRO A 40 9.418 7.612 7.347 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.344 10.050 6.673 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.806 9.451 5.914 1.00 10.00 H new ATOM 0 HG2 PRO A 40 6.947 9.340 4.858 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.413 9.732 3.982 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.330 7.228 3.843 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.065 7.461 3.776 1.00 10.00 H new ATOM 662 N GLY A 41 6.220 7.355 7.411 1.00 10.00 N ATOM 663 CA GLY A 41 5.100 7.266 8.337 1.00 10.00 C ATOM 664 C GLY A 41 5.203 6.113 9.336 1.00 10.00 C ATOM 665 O GLY A 41 4.167 5.655 9.809 1.00 10.00 O ATOM 0 H GLY A 41 6.023 6.984 6.482 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.023 8.203 8.888 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.178 7.156 7.766 1.00 10.00 H new ATOM 669 N GLY A 42 6.418 5.658 9.661 1.00 10.00 N ATOM 670 CA GLY A 42 6.669 4.637 10.667 1.00 10.00 C ATOM 671 C GLY A 42 6.189 3.256 10.213 1.00 10.00 C ATOM 672 O GLY A 42 4.992 3.039 10.010 1.00 10.00 O ATOM 0 H GLY A 42 7.270 6.002 9.218 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.736 4.597 10.884 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.165 4.910 11.594 1.00 10.00 H new ATOM 676 N GLU A 43 7.119 2.307 10.059 1.00 10.00 N ATOM 677 CA GLU A 43 6.799 0.921 9.756 1.00 10.00 C ATOM 678 C GLU A 43 5.794 0.346 10.761 1.00 10.00 C ATOM 679 O GLU A 43 6.138 -0.106 11.848 1.00 10.00 O ATOM 680 CB GLU A 43 8.067 0.073 9.681 1.00 10.00 C ATOM 681 CG GLU A 43 9.012 0.230 10.886 1.00 10.00 C ATOM 682 CD GLU A 43 9.607 -1.100 11.348 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.901 -2.127 11.246 1.00 10.00 O ATOM 684 OE2 GLU A 43 10.768 -1.062 11.807 1.00 10.00 O ATOM 0 H GLU A 43 8.119 2.487 10.143 1.00 10.00 H new ATOM 0 HA GLU A 43 6.324 0.894 8.775 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.783 -0.976 9.592 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.610 0.334 8.773 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.820 0.912 10.622 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.467 0.686 11.713 1.00 10.00 H new ATOM 691 N ALA A 44 4.524 0.396 10.378 1.00 10.00 N ATOM 692 CA ALA A 44 3.387 0.046 11.206 1.00 10.00 C ATOM 693 C ALA A 44 2.136 0.396 10.425 1.00 10.00 C ATOM 694 O ALA A 44 1.344 -0.490 10.136 1.00 10.00 O ATOM 695 CB ALA A 44 3.400 0.789 12.548 1.00 10.00 C ATOM 0 H ALA A 44 4.252 0.695 9.442 1.00 10.00 H new ATOM 0 HA ALA A 44 3.423 -1.018 11.441 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.530 0.495 13.135 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.308 0.536 13.095 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.371 1.864 12.369 1.00 10.00 H new ATOM 701 N VAL A 45 1.968 1.664 10.038 1.00 10.00 N ATOM 702 CA VAL A 45 0.758 2.108 9.365 1.00 10.00 C ATOM 703 C VAL A 45 0.533 1.290 8.088 1.00 10.00 C ATOM 704 O VAL A 45 -0.515 0.682 7.895 1.00 10.00 O ATOM 705 CB VAL A 45 0.759 3.633 9.190 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.069 4.358 10.504 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.735 4.101 8.122 1.00 10.00 C ATOM 0 H VAL A 45 2.661 2.398 10.183 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.118 1.911 9.983 1.00 10.00 H new ATOM 0 HB VAL A 45 -0.251 3.887 8.868 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.060 5.435 10.336 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.315 4.100 11.248 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.052 4.055 10.863 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.693 5.187 8.042 1.00 10.00 H new ATOM 0 HG22 VAL A 45 2.746 3.796 8.394 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.467 3.656 7.164 1.00 10.00 H new ATOM 717 N LEU A 46 1.567 1.178 7.254 1.00 10.00 N ATOM 718 CA LEU A 46 1.540 0.317 6.081 1.00 10.00 C ATOM 719 C LEU A 46 1.167 -1.110 6.475 1.00 10.00 C ATOM 720 O LEU A 46 0.306 -1.706 5.845 1.00 10.00 O ATOM 721 CB LEU A 46 2.903 0.362 5.378 1.00 10.00 C ATOM 722 CG LEU A 46 3.032 1.478 4.333 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.336 1.137 3.014 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.493 2.813 4.836 1.00 10.00 C ATOM 0 H LEU A 46 2.445 1.683 7.376 1.00 10.00 H new ATOM 0 HA LEU A 46 0.781 0.677 5.387 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.683 0.490 6.129 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.082 -0.598 4.893 1.00 10.00 H new ATOM 0 HG LEU A 46 4.104 1.568 4.154 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.460 1.962 2.313 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.777 0.234 2.593 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.274 0.972 3.195 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.608 3.568 4.058 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.437 2.708 5.086 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.048 3.118 5.723 1.00 10.00 H new ATOM 736 N ARG A 47 1.794 -1.667 7.513 1.00 10.00 N ATOM 737 CA ARG A 47 1.608 -3.062 7.901 1.00 10.00 C ATOM 738 C ARG A 47 0.207 -3.297 8.488 1.00 10.00 C ATOM 739 O ARG A 47 -0.323 -4.409 8.404 1.00 10.00 O ATOM 740 CB ARG A 47 2.751 -3.480 8.856 1.00 10.00 C ATOM 741 CG ARG A 47 3.423 -4.832 8.539 1.00 10.00 C ATOM 742 CD ARG A 47 2.908 -6.004 9.386 1.00 10.00 C ATOM 743 NE ARG A 47 1.474 -6.209 9.172 1.00 10.00 N ATOM 744 CZ ARG A 47 0.725 -7.237 9.580 1.00 10.00 C ATOM 745 NH1 ARG A 47 1.266 -8.223 10.304 1.00 10.00 N ATOM 746 NH2 ARG A 47 -0.562 -7.253 9.235 1.00 10.00 N ATOM 0 H ARG A 47 2.447 -1.159 8.109 1.00 10.00 H new ATOM 0 HA ARG A 47 1.662 -3.702 7.020 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.515 -2.703 8.842 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.356 -3.520 9.871 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.268 -5.064 7.485 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.498 -4.735 8.689 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.452 -6.912 9.128 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.098 -5.807 10.441 1.00 10.00 H new ATOM 0 HE ARG A 47 0.989 -5.480 8.649 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.256 -8.193 10.548 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.689 -9.005 10.612 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.949 -6.494 8.675 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.160 -8.024 9.531 1.00 10.00 H new ATOM 760 N ALA A 48 -0.379 -2.269 9.095 1.00 10.00 N ATOM 761 CA ALA A 48 -1.691 -2.298 9.713 1.00 10.00 C ATOM 762 C ALA A 48 -2.762 -2.227 8.628 1.00 10.00 C ATOM 763 O ALA A 48 -3.649 -3.073 8.576 1.00 10.00 O ATOM 764 CB ALA A 48 -1.796 -1.128 10.695 1.00 10.00 C ATOM 0 H ALA A 48 0.071 -1.357 9.170 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.841 -3.225 10.266 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.778 -1.137 11.168 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.025 -1.224 11.459 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.660 -0.189 10.158 1.00 10.00 H new ATOM 770 N GLN A 49 -2.665 -1.228 7.749 1.00 10.00 N ATOM 771 CA GLN A 49 -3.576 -1.055 6.636 1.00 10.00 C ATOM 772 C GLN A 49 -3.319 -2.086 5.526 1.00 10.00 C ATOM 773 O GLN A 49 -4.170 -2.261 4.654 1.00 10.00 O ATOM 774 CB GLN A 49 -3.443 0.386 6.129 1.00 10.00 C ATOM 775 CG GLN A 49 -4.389 1.367 6.838 1.00 10.00 C ATOM 776 CD GLN A 49 -4.104 1.634 8.316 1.00 10.00 C ATOM 777 OE1 GLN A 49 -3.011 1.408 8.816 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.087 2.161 9.040 1.00 10.00 N ATOM 0 H GLN A 49 -1.940 -0.512 7.798 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.600 -1.228 6.966 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.414 0.719 6.267 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.644 0.407 5.058 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.357 2.318 6.306 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.406 0.986 6.749 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.994 2.345 8.611 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.934 2.381 10.024 1.00 10.00 H new ATOM 787 N ALA A 50 -2.155 -2.748 5.531 1.00 10.00 N ATOM 788 CA ALA A 50 -1.807 -3.764 4.547 1.00 10.00 C ATOM 789 C ALA A 50 -2.900 -4.820 4.401 1.00 10.00 C ATOM 790 O ALA A 50 -3.559 -5.193 5.369 1.00 10.00 O ATOM 791 CB ALA A 50 -0.507 -4.485 4.913 1.00 10.00 C ATOM 0 H ALA A 50 -1.427 -2.587 6.227 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.685 -3.229 3.605 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.281 -5.235 4.155 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.308 -3.763 4.963 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.621 -4.971 5.882 1.00 10.00 H new ATOM 797 N GLY A 51 -3.036 -5.335 3.180 1.00 10.00 N ATOM 798 CA GLY A 51 -4.058 -6.278 2.785 1.00 10.00 C ATOM 799 C GLY A 51 -5.428 -5.740 3.164 1.00 10.00 C ATOM 800 O GLY A 51 -6.196 -6.392 3.864 1.00 10.00 O ATOM 0 H GLY A 51 -2.407 -5.091 2.415 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.010 -6.452 1.710 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.887 -7.239 3.271 1.00 10.00 H new ATOM 804 N GLY A 52 -5.729 -4.541 2.676 1.00 10.00 N ATOM 805 CA GLY A 52 -7.012 -3.907 2.850 1.00 10.00 C ATOM 806 C GLY A 52 -7.046 -2.667 1.968 1.00 10.00 C ATOM 807 O GLY A 52 -6.010 -2.228 1.453 1.00 10.00 O ATOM 0 H GLY A 52 -5.068 -3.979 2.139 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.815 -4.591 2.577 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.165 -3.636 3.895 1.00 10.00 H new ATOM 811 N ASP A 53 -8.243 -2.109 1.794 1.00 10.00 N ATOM 812 CA ASP A 53 -8.406 -0.813 1.169 1.00 10.00 C ATOM 813 C ASP A 53 -7.787 0.218 2.095 1.00 10.00 C ATOM 814 O ASP A 53 -8.248 0.395 3.222 1.00 10.00 O ATOM 815 CB ASP A 53 -9.889 -0.494 0.950 1.00 10.00 C ATOM 816 CG ASP A 53 -10.540 -1.407 -0.074 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.860 -1.705 -1.078 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.706 -1.777 0.173 1.00 10.00 O ATOM 0 H ASP A 53 -9.118 -2.546 2.083 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.920 -0.805 0.193 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.419 -0.582 1.898 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.989 0.541 0.624 1.00 10.00 H new ATOM 823 N ALA A 54 -6.749 0.908 1.625 1.00 10.00 N ATOM 824 CA ALA A 54 -6.122 1.966 2.398 1.00 10.00 C ATOM 825 C ALA A 54 -6.189 3.283 1.645 1.00 10.00 C ATOM 826 O ALA A 54 -5.487 4.220 2.004 1.00 10.00 O ATOM 827 CB ALA A 54 -4.690 1.575 2.742 1.00 10.00 C ATOM 0 H ALA A 54 -6.327 0.749 0.710 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.663 2.103 3.334 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.224 2.372 3.322 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.695 0.656 3.327 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.125 1.417 1.823 1.00 10.00 H new ATOM 833 N THR A 55 -7.034 3.369 0.616 1.00 10.00 N ATOM 834 CA THR A 55 -7.179 4.570 -0.186 1.00 10.00 C ATOM 835 C THR A 55 -7.564 5.740 0.727 1.00 10.00 C ATOM 836 O THR A 55 -6.886 6.766 0.763 1.00 10.00 O ATOM 837 CB THR A 55 -8.197 4.316 -1.311 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.882 3.147 -2.049 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.144 5.469 -2.306 1.00 10.00 C ATOM 0 H THR A 55 -7.636 2.601 0.320 1.00 10.00 H new ATOM 0 HA THR A 55 -6.238 4.836 -0.668 1.00 10.00 H new ATOM 0 HB THR A 55 -9.175 4.212 -0.840 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.250 2.598 -1.539 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.864 5.293 -3.105 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.388 6.401 -1.796 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.142 5.539 -2.729 1.00 10.00 H new ATOM 847 N ALA A 56 -8.623 5.547 1.519 1.00 10.00 N ATOM 848 CA ALA A 56 -9.071 6.526 2.496 1.00 10.00 C ATOM 849 C ALA A 56 -7.940 6.908 3.452 1.00 10.00 C ATOM 850 O ALA A 56 -7.684 8.089 3.645 1.00 10.00 O ATOM 851 CB ALA A 56 -10.292 5.991 3.253 1.00 10.00 C ATOM 0 H ALA A 56 -9.192 4.701 1.495 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.366 7.434 1.971 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.621 6.731 3.983 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.099 5.793 2.548 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.025 5.068 3.767 1.00 10.00 H new ATOM 857 N ASN A 57 -7.257 5.925 4.047 1.00 10.00 N ATOM 858 CA ASN A 57 -6.178 6.192 4.997 1.00 10.00 C ATOM 859 C ASN A 57 -5.071 7.023 4.334 1.00 10.00 C ATOM 860 O ASN A 57 -4.651 8.052 4.861 1.00 10.00 O ATOM 861 CB ASN A 57 -5.620 4.880 5.570 1.00 10.00 C ATOM 862 CG ASN A 57 -6.564 4.220 6.574 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.648 4.636 7.723 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.265 3.158 6.181 1.00 10.00 N ATOM 0 H ASN A 57 -7.435 4.934 3.885 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.584 6.771 5.826 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.425 4.186 4.752 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.664 5.079 6.054 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.881 2.681 6.840 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.186 2.822 5.221 1.00 10.00 H new ATOM 871 N PHE A 58 -4.610 6.577 3.163 1.00 10.00 N ATOM 872 CA PHE A 58 -3.585 7.233 2.361 1.00 10.00 C ATOM 873 C PHE A 58 -3.928 8.710 2.154 1.00 10.00 C ATOM 874 O PHE A 58 -3.116 9.596 2.437 1.00 10.00 O ATOM 875 CB PHE A 58 -3.481 6.492 1.019 1.00 10.00 C ATOM 876 CG PHE A 58 -2.417 6.996 0.065 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.065 6.899 0.426 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.761 7.423 -1.232 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.059 7.263 -0.484 1.00 10.00 C ATOM 880 CE2 PHE A 58 -1.753 7.754 -2.155 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.401 7.692 -1.776 1.00 10.00 C ATOM 0 H PHE A 58 -4.955 5.718 2.735 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.624 7.196 2.874 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.290 5.438 1.222 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.447 6.550 0.518 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.796 6.542 1.409 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -3.800 7.496 -1.518 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.979 7.213 -0.189 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.018 8.056 -3.157 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.372 7.973 -2.476 1.00 10.00 H new ATOM 891 N GLU A 59 -5.146 8.963 1.674 1.00 10.00 N ATOM 892 CA GLU A 59 -5.642 10.311 1.453 1.00 10.00 C ATOM 893 C GLU A 59 -5.778 11.081 2.768 1.00 10.00 C ATOM 894 O GLU A 59 -5.453 12.263 2.814 1.00 10.00 O ATOM 895 CB GLU A 59 -6.975 10.240 0.712 1.00 10.00 C ATOM 896 CG GLU A 59 -6.788 9.687 -0.708 1.00 10.00 C ATOM 897 CD GLU A 59 -7.073 10.754 -1.758 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.242 11.177 -1.838 1.00 10.00 O ATOM 899 OE2 GLU A 59 -6.129 11.115 -2.498 1.00 10.00 O ATOM 0 H GLU A 59 -5.814 8.233 1.428 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.922 10.857 0.843 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.669 9.606 1.264 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.421 11.233 0.663 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.769 9.320 -0.827 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.453 8.837 -0.860 1.00 10.00 H new ATOM 906 N ALA A 60 -6.251 10.427 3.833 1.00 10.00 N ATOM 907 CA ALA A 60 -6.439 11.044 5.141 1.00 10.00 C ATOM 908 C ALA A 60 -5.140 11.683 5.621 1.00 10.00 C ATOM 909 O ALA A 60 -5.148 12.799 6.132 1.00 10.00 O ATOM 910 CB ALA A 60 -6.943 10.019 6.165 1.00 10.00 C ATOM 0 H ALA A 60 -6.516 9.442 3.806 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.195 11.823 5.042 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.075 10.505 7.132 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.897 9.610 5.831 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.216 9.212 6.261 1.00 10.00 H new ATOM 916 N VAL A 61 -4.021 10.974 5.445 1.00 10.00 N ATOM 917 CA VAL A 61 -2.707 11.536 5.728 1.00 10.00 C ATOM 918 C VAL A 61 -2.461 12.790 4.885 1.00 10.00 C ATOM 919 O VAL A 61 -1.971 13.796 5.392 1.00 10.00 O ATOM 920 CB VAL A 61 -1.619 10.488 5.465 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.234 11.091 5.721 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.845 9.253 6.345 1.00 10.00 C ATOM 0 H VAL A 61 -4.004 10.011 5.108 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.671 11.823 6.779 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.673 10.178 4.422 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.531 10.338 5.531 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.079 11.941 5.057 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.168 11.423 6.757 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.065 8.518 6.147 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.812 9.544 7.395 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.819 8.819 6.119 1.00 10.00 H new ATOM 932 N GLY A 62 -2.750 12.698 3.587 1.00 10.00 N ATOM 933 CA GLY A 62 -2.540 13.762 2.621 1.00 10.00 C ATOM 934 C GLY A 62 -1.671 13.235 1.489 1.00 10.00 C ATOM 935 O GLY A 62 -2.166 12.993 0.388 1.00 10.00 O ATOM 0 H GLY A 62 -3.148 11.855 3.173 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.496 14.111 2.231 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.060 14.616 3.099 1.00 10.00 H new ATOM 939 N HIS A 63 -0.378 13.049 1.780 1.00 10.00 N ATOM 940 CA HIS A 63 0.656 12.748 0.795 1.00 10.00 C ATOM 941 C HIS A 63 0.740 13.862 -0.270 1.00 10.00 C ATOM 942 O HIS A 63 -0.006 14.841 -0.228 1.00 10.00 O ATOM 943 CB HIS A 63 0.456 11.336 0.206 1.00 10.00 C ATOM 944 CG HIS A 63 0.631 10.209 1.200 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.332 9.707 2.045 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.767 9.464 1.389 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.232 8.706 2.747 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.508 8.493 2.368 1.00 10.00 N ATOM 0 H HIS A 63 -0.017 13.106 2.732 1.00 10.00 H new ATOM 0 HA HIS A 63 1.628 12.732 1.287 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.544 11.273 -0.222 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.162 11.194 -0.612 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.295 10.033 2.125 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.704 9.602 0.871 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.275 8.144 3.518 1.00 10.00 H new ATOM 956 N SER A 64 1.668 13.734 -1.222 1.00 10.00 N ATOM 957 CA SER A 64 1.901 14.719 -2.271 1.00 10.00 C ATOM 958 C SER A 64 2.220 14.013 -3.587 1.00 10.00 C ATOM 959 O SER A 64 2.424 12.800 -3.616 1.00 10.00 O ATOM 960 CB SER A 64 3.026 15.680 -1.847 1.00 10.00 C ATOM 961 OG SER A 64 2.501 16.714 -1.038 1.00 10.00 O ATOM 0 H SER A 64 2.288 12.926 -1.283 1.00 10.00 H new ATOM 0 HA SER A 64 1.000 15.312 -2.425 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.795 15.134 -1.300 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.504 16.105 -2.730 1.00 10.00 H new ATOM 0 HG SER A 64 1.682 16.402 -0.600 1.00 10.00 H new ATOM 967 N THR A 65 2.237 14.793 -4.673 1.00 10.00 N ATOM 968 CA THR A 65 2.456 14.356 -6.048 1.00 10.00 C ATOM 969 C THR A 65 3.590 13.334 -6.121 1.00 10.00 C ATOM 970 O THR A 65 3.424 12.239 -6.650 1.00 10.00 O ATOM 971 CB THR A 65 2.744 15.578 -6.934 1.00 10.00 C ATOM 972 OG1 THR A 65 3.896 16.259 -6.475 1.00 10.00 O ATOM 973 CG2 THR A 65 1.566 16.561 -6.954 1.00 10.00 C ATOM 0 H THR A 65 2.090 15.800 -4.608 1.00 10.00 H new ATOM 0 HA THR A 65 1.555 13.864 -6.415 1.00 10.00 H new ATOM 0 HB THR A 65 2.905 15.206 -7.946 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.069 17.034 -7.050 1.00 10.00 H new ATOM 0 HG21 THR A 65 1.811 17.410 -7.592 1.00 10.00 H new ATOM 0 HG22 THR A 65 0.680 16.059 -7.343 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.369 16.913 -5.941 1.00 10.00 H new ATOM 981 N ASP A 66 4.725 13.694 -5.527 1.00 10.00 N ATOM 982 CA ASP A 66 5.888 12.839 -5.384 1.00 10.00 C ATOM 983 C ASP A 66 5.494 11.437 -4.928 1.00 10.00 C ATOM 984 O ASP A 66 5.795 10.453 -5.593 1.00 10.00 O ATOM 985 CB ASP A 66 6.860 13.491 -4.386 1.00 10.00 C ATOM 986 CG ASP A 66 8.301 13.363 -4.848 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.703 12.215 -5.132 1.00 10.00 O ATOM 988 OD2 ASP A 66 8.968 14.418 -4.906 1.00 10.00 O ATOM 0 H ASP A 66 4.859 14.620 -5.121 1.00 10.00 H new ATOM 0 HA ASP A 66 6.376 12.731 -6.353 1.00 10.00 H new ATOM 0 HB2 ASP A 66 6.608 14.545 -4.266 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.747 13.023 -3.408 1.00 10.00 H new ATOM 993 N ALA A 67 4.748 11.338 -3.825 1.00 10.00 N ATOM 994 CA ALA A 67 4.322 10.053 -3.290 1.00 10.00 C ATOM 995 C ALA A 67 3.342 9.395 -4.277 1.00 10.00 C ATOM 996 O ALA A 67 3.442 8.199 -4.521 1.00 10.00 O ATOM 997 CB ALA A 67 3.624 10.249 -1.944 1.00 10.00 C ATOM 0 H ALA A 67 4.427 12.142 -3.285 1.00 10.00 H new ATOM 0 HA ALA A 67 5.196 9.417 -3.150 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.309 9.281 -1.553 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.313 10.718 -1.242 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.751 10.888 -2.077 1.00 10.00 H new ATOM 1003 N ARG A 68 2.385 10.154 -4.843 1.00 10.00 N ATOM 1004 CA ARG A 68 1.440 9.647 -5.843 1.00 10.00 C ATOM 1005 C ARG A 68 2.195 8.924 -6.973 1.00 10.00 C ATOM 1006 O ARG A 68 1.803 7.836 -7.402 1.00 10.00 O ATOM 1007 CB ARG A 68 0.585 10.785 -6.444 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.196 11.680 -5.463 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.594 11.142 -5.154 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.372 12.108 -4.356 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.640 11.923 -3.948 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -4.347 10.875 -4.370 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.220 12.770 -3.096 1.00 10.00 N ATOM 0 H ARG A 68 2.249 11.139 -4.615 1.00 10.00 H new ATOM 0 HA ARG A 68 0.775 8.946 -5.338 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.242 11.425 -7.033 1.00 10.00 H new ATOM 0 HB3 ARG A 68 -0.130 10.340 -7.136 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.367 11.770 -4.534 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.282 12.682 -5.883 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -2.119 10.929 -6.085 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -1.513 10.200 -4.612 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.914 12.981 -4.094 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -3.927 10.201 -5.010 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -5.308 10.747 -4.053 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.701 13.574 -2.743 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.183 12.614 -2.798 1.00 10.00 H new ATOM 1027 N GLU A 69 3.277 9.544 -7.451 1.00 10.00 N ATOM 1028 CA GLU A 69 4.096 9.053 -8.551 1.00 10.00 C ATOM 1029 C GLU A 69 4.943 7.877 -8.072 1.00 10.00 C ATOM 1030 O GLU A 69 5.058 6.842 -8.728 1.00 10.00 O ATOM 1031 CB GLU A 69 4.961 10.216 -9.053 1.00 10.00 C ATOM 1032 CG GLU A 69 4.308 10.911 -10.254 1.00 10.00 C ATOM 1033 CD GLU A 69 4.657 10.204 -11.560 1.00 10.00 C ATOM 1034 OE1 GLU A 69 3.943 9.231 -11.892 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.643 10.641 -12.190 1.00 10.00 O ATOM 0 H GLU A 69 3.613 10.428 -7.068 1.00 10.00 H new ATOM 0 HA GLU A 69 3.479 8.693 -9.374 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.110 10.936 -8.249 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.946 9.845 -9.335 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.226 10.926 -10.124 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.638 11.949 -10.300 1.00 10.00 H new ATOM 1042 N LEU A 70 5.516 8.028 -6.884 1.00 10.00 N ATOM 1043 CA LEU A 70 6.293 7.000 -6.232 1.00 10.00 C ATOM 1044 C LEU A 70 5.482 5.708 -6.173 1.00 10.00 C ATOM 1045 O LEU A 70 5.945 4.666 -6.630 1.00 10.00 O ATOM 1046 CB LEU A 70 6.710 7.513 -4.860 1.00 10.00 C ATOM 1047 CG LEU A 70 7.713 6.660 -4.083 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.033 5.276 -4.617 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.971 7.444 -3.733 1.00 10.00 C ATOM 0 H LEU A 70 5.448 8.889 -6.342 1.00 10.00 H new ATOM 0 HA LEU A 70 7.201 6.769 -6.789 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.135 8.509 -4.984 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.813 7.623 -4.251 1.00 10.00 H new ATOM 0 HG LEU A 70 7.162 6.428 -3.171 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.758 4.792 -3.962 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.121 4.680 -4.652 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.450 5.361 -5.620 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.658 6.802 -3.181 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.452 7.788 -4.649 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.705 8.304 -3.118 1.00 10.00 H new ATOM 1061 N SER A 71 4.253 5.757 -5.657 1.00 10.00 N ATOM 1062 CA SER A 71 3.399 4.589 -5.653 1.00 10.00 C ATOM 1063 C SER A 71 3.361 3.960 -7.048 1.00 10.00 C ATOM 1064 O SER A 71 3.616 2.768 -7.159 1.00 10.00 O ATOM 1065 CB SER A 71 1.996 4.938 -5.148 1.00 10.00 C ATOM 1066 OG SER A 71 2.083 5.722 -3.975 1.00 10.00 O ATOM 0 H SER A 71 3.837 6.591 -5.241 1.00 10.00 H new ATOM 0 HA SER A 71 3.813 3.853 -4.964 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.449 5.481 -5.918 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.437 4.025 -4.944 1.00 10.00 H new ATOM 0 HG SER A 71 2.402 6.620 -4.204 1.00 10.00 H new ATOM 1072 N LYS A 72 3.129 4.726 -8.123 1.00 10.00 N ATOM 1073 CA LYS A 72 3.185 4.161 -9.473 1.00 10.00 C ATOM 1074 C LYS A 72 4.490 3.391 -9.739 1.00 10.00 C ATOM 1075 O LYS A 72 4.449 2.323 -10.344 1.00 10.00 O ATOM 1076 CB LYS A 72 2.954 5.216 -10.565 1.00 10.00 C ATOM 1077 CG LYS A 72 1.523 5.766 -10.555 1.00 10.00 C ATOM 1078 CD LYS A 72 1.105 6.287 -11.942 1.00 10.00 C ATOM 1079 CE LYS A 72 0.369 5.226 -12.781 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.247 4.131 -13.250 1.00 10.00 N ATOM 0 H LYS A 72 2.905 5.720 -8.084 1.00 10.00 H new ATOM 0 HA LYS A 72 2.362 3.447 -9.520 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.657 6.038 -10.427 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.165 4.777 -11.540 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.834 4.983 -10.237 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.448 6.572 -9.825 1.00 10.00 H new ATOM 0 HD2 LYS A 72 0.461 7.157 -11.819 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.991 6.620 -12.482 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.441 4.802 -12.187 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.088 5.710 -13.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.709 3.499 -13.877 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.053 4.531 -13.771 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.597 3.592 -12.432 1.00 10.00 H new ATOM 1094 N THR A 73 5.636 3.886 -9.270 1.00 10.00 N ATOM 1095 CA THR A 73 6.912 3.170 -9.353 1.00 10.00 C ATOM 1096 C THR A 73 6.874 1.816 -8.621 1.00 10.00 C ATOM 1097 O THR A 73 7.582 0.888 -9.002 1.00 10.00 O ATOM 1098 CB THR A 73 8.064 4.095 -8.904 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.398 4.955 -9.973 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.327 3.368 -8.432 1.00 10.00 C ATOM 0 H THR A 73 5.707 4.799 -8.820 1.00 10.00 H new ATOM 0 HA THR A 73 7.101 2.907 -10.394 1.00 10.00 H new ATOM 0 HB THR A 73 7.694 4.640 -8.036 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.128 5.549 -9.699 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.079 4.100 -8.137 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.084 2.733 -7.580 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.717 2.753 -9.243 1.00 10.00 H new ATOM 1108 N PHE A 74 6.030 1.691 -7.597 1.00 10.00 N ATOM 1109 CA PHE A 74 5.792 0.459 -6.846 1.00 10.00 C ATOM 1110 C PHE A 74 4.597 -0.325 -7.388 1.00 10.00 C ATOM 1111 O PHE A 74 4.233 -1.347 -6.805 1.00 10.00 O ATOM 1112 CB PHE A 74 5.545 0.789 -5.366 1.00 10.00 C ATOM 1113 CG PHE A 74 6.809 0.895 -4.551 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.700 1.952 -4.779 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.152 -0.127 -3.651 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.891 2.032 -4.043 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.343 -0.048 -2.913 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.201 1.050 -3.086 1.00 10.00 C ATOM 0 H PHE A 74 5.473 2.474 -7.255 1.00 10.00 H new ATOM 0 HA PHE A 74 6.681 -0.162 -6.955 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.999 1.730 -5.299 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.907 0.019 -4.932 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.470 2.703 -5.520 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.497 -0.977 -3.526 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.573 2.852 -4.212 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.599 -0.830 -2.214 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.095 1.140 -2.487 1.00 10.00 H new ATOM 1128 N ILE A 75 3.930 0.155 -8.441 1.00 10.00 N ATOM 1129 CA ILE A 75 2.723 -0.511 -8.899 1.00 10.00 C ATOM 1130 C ILE A 75 3.045 -1.946 -9.320 1.00 10.00 C ATOM 1131 O ILE A 75 3.984 -2.176 -10.081 1.00 10.00 O ATOM 1132 CB ILE A 75 2.031 0.303 -9.998 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.523 0.118 -9.848 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.523 -0.049 -11.404 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.249 0.790 -10.968 1.00 10.00 C ATOM 0 H ILE A 75 4.201 0.980 -8.976 1.00 10.00 H new ATOM 0 HA ILE A 75 2.008 -0.573 -8.079 1.00 10.00 H new ATOM 0 HB ILE A 75 2.287 1.355 -9.875 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.288 -0.946 -9.835 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.202 0.527 -8.890 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.995 0.561 -12.137 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.593 0.144 -11.474 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.331 -1.103 -11.603 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.317 0.632 -10.819 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.037 1.859 -10.966 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.052 0.362 -11.925 1.00 10.00 H new ATOM 1147 N ILE A 76 2.261 -2.908 -8.836 1.00 10.00 N ATOM 1148 CA ILE A 76 2.390 -4.304 -9.244 1.00 10.00 C ATOM 1149 C ILE A 76 1.269 -4.709 -10.197 1.00 10.00 C ATOM 1150 O ILE A 76 1.310 -5.797 -10.774 1.00 10.00 O ATOM 1151 CB ILE A 76 2.447 -5.219 -8.014 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.373 -4.844 -6.980 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.855 -5.151 -7.412 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.143 -5.942 -5.943 1.00 10.00 C ATOM 0 H ILE A 76 1.522 -2.742 -8.153 1.00 10.00 H new ATOM 0 HA ILE A 76 3.327 -4.416 -9.789 1.00 10.00 H new ATOM 0 HB ILE A 76 2.235 -6.244 -8.319 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.669 -3.926 -6.472 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.436 -4.635 -7.496 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.908 -5.798 -6.536 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.584 -5.482 -8.152 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.076 -4.125 -7.119 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.375 -5.622 -5.239 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.819 -6.854 -6.444 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.071 -6.134 -5.405 1.00 10.00 H new ATOM 1166 N GLY A 77 0.254 -3.857 -10.347 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.909 -4.126 -11.159 1.00 10.00 C ATOM 1168 C GLY A 77 -2.053 -3.266 -10.657 1.00 10.00 C ATOM 1169 O GLY A 77 -1.826 -2.176 -10.133 1.00 10.00 O ATOM 0 H GLY A 77 0.227 -2.944 -9.893 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.700 -3.905 -12.206 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.175 -5.182 -11.103 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.273 -3.772 -10.799 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.485 -3.036 -10.514 1.00 10.00 C ATOM 1175 C GLU A 78 -5.485 -3.964 -9.830 1.00 10.00 C ATOM 1176 O GLU A 78 -5.283 -5.174 -9.714 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.004 -2.367 -11.807 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.558 -0.887 -11.846 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.728 -0.152 -13.174 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.068 -0.819 -14.173 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.496 1.085 -13.156 1.00 10.00 O ATOM 0 H GLU A 78 -3.443 -4.724 -11.122 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.302 -2.220 -9.815 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.620 -2.895 -12.680 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.091 -2.430 -11.849 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.116 -0.344 -11.083 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.506 -0.842 -11.565 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.546 -3.362 -9.315 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.605 -4.063 -8.620 1.00 10.00 C ATOM 1190 C LEU A 79 -8.367 -4.932 -9.621 1.00 10.00 C ATOM 1191 O LEU A 79 -8.680 -4.482 -10.725 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.516 -3.014 -7.987 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.694 -3.635 -7.231 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.212 -4.330 -5.948 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.742 -2.561 -6.939 1.00 10.00 C ATOM 0 H LEU A 79 -6.694 -2.354 -9.371 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.212 -4.716 -7.841 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.933 -2.398 -7.302 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.897 -2.352 -8.765 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.158 -4.401 -7.852 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.065 -4.764 -5.427 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.504 -5.118 -6.205 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.724 -3.601 -5.301 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.579 -3.006 -6.401 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.297 -1.774 -6.330 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.099 -2.136 -7.877 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.675 -6.170 -9.231 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.434 -7.101 -10.054 1.00 10.00 C ATOM 1209 C HIS A 80 -10.754 -6.493 -10.538 1.00 10.00 C ATOM 1210 O HIS A 80 -11.468 -5.845 -9.771 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.667 -8.386 -9.261 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.006 -9.588 -10.092 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.202 -10.261 -10.096 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.128 -10.297 -10.868 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.063 -11.326 -10.902 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.817 -11.388 -11.401 1.00 10.00 N ATOM 0 H HIS A 80 -8.400 -6.554 -8.327 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.858 -7.329 -10.951 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.771 -8.605 -8.680 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.474 -8.215 -8.549 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.089 -10.055 -11.037 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.847 -12.037 -11.120 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.448 -12.091 -12.041 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.132 -6.724 -11.803 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.377 -6.208 -12.338 1.00 10.00 C ATOM 1226 C PRO A 81 -13.627 -6.853 -11.726 1.00 10.00 C ATOM 1227 O PRO A 81 -14.729 -6.422 -12.052 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.294 -6.398 -13.851 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.268 -7.514 -14.045 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.363 -7.416 -12.824 1.00 10.00 C ATOM 0 HA PRO A 81 -12.492 -5.156 -12.078 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.262 -6.673 -14.269 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -11.980 -5.481 -14.349 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.750 -8.490 -14.105 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.705 -7.379 -14.968 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.063 -8.406 -12.481 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.449 -6.870 -13.060 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.465 -7.840 -10.836 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.565 -8.506 -10.138 1.00 10.00 C ATOM 1240 C ASP A 82 -14.699 -8.014 -8.687 1.00 10.00 C ATOM 1241 O ASP A 82 -15.580 -8.466 -7.964 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.341 -10.028 -10.200 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.637 -10.813 -10.349 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.337 -10.562 -11.353 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.864 -11.701 -9.501 1.00 10.00 O ATOM 0 H ASP A 82 -12.547 -8.203 -10.578 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.505 -8.258 -10.632 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.684 -10.259 -11.038 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.828 -10.352 -9.294 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.802 -7.121 -8.244 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.766 -6.620 -6.875 1.00 10.00 C ATOM 1252 C ASP A 83 -14.679 -5.398 -6.710 1.00 10.00 C ATOM 1253 O ASP A 83 -15.511 -5.368 -5.805 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.299 -6.317 -6.565 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.045 -5.560 -5.280 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.667 -4.505 -5.052 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.122 -6.030 -4.593 1.00 10.00 O ATOM 0 H ASP A 83 -13.074 -6.725 -8.839 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.149 -7.354 -6.166 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.753 -7.259 -6.524 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.883 -5.743 -7.392 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.473 -4.406 -7.583 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.057 -3.071 -7.472 1.00 10.00 C ATOM 1264 C ARG A 84 -16.586 -3.050 -7.336 1.00 10.00 C ATOM 1265 O ARG A 84 -17.079 -2.060 -6.751 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.627 -2.192 -8.656 1.00 10.00 C ATOM 1267 CG ARG A 84 -15.117 -2.703 -10.024 1.00 10.00 C ATOM 1268 CD ARG A 84 -14.108 -3.598 -10.752 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.821 -2.922 -10.984 1.00 10.00 N ATOM 1270 CZ ARG A 84 -12.612 -1.988 -11.924 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -13.616 -1.629 -12.732 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -11.407 -1.422 -12.056 1.00 10.00 N ATOM 0 H ARG A 84 -13.880 -4.515 -8.406 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.667 -2.667 -6.538 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.004 -1.181 -8.501 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.539 -2.128 -8.672 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -16.044 -3.258 -9.882 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.352 -1.847 -10.657 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.940 -4.502 -10.166 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.528 -3.911 -11.708 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.034 -3.182 -10.389 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -14.533 -2.065 -12.631 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -13.465 -0.920 -13.449 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.643 -1.700 -11.441 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -11.253 -0.712 -12.772 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.815 7.179 3.135 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.262 9.865 4.685 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.019 7.476 0.429 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.220 4.558 1.452 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.639 6.738 5.833 1.00 10.00 C HETATM 1292 NA HEM A 201 4.357 8.424 2.648 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.733 9.486 3.414 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.723 10.223 2.660 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.973 9.525 1.497 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.090 8.387 1.485 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.932 9.891 0.385 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.203 11.614 2.999 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.059 12.633 2.942 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.530 13.956 2.360 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.421 14.561 2.993 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.008 14.317 1.283 1.00 10.00 O HETATM 1303 NB HEM A 201 3.102 6.171 1.311 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.078 6.460 0.378 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.942 5.529 -0.722 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.876 4.731 -0.402 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.332 5.137 0.866 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.778 5.448 -1.983 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.312 3.644 -1.288 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.993 2.427 -0.825 1.00 10.00 C HETATM 1311 NC HEM A 201 1.218 5.892 3.559 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.735 4.921 2.708 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.414 4.318 3.342 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.552 4.934 4.557 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.480 5.923 4.713 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.320 3.263 2.771 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.672 4.674 5.537 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.616 3.580 6.325 1.00 10.00 C HETATM 1319 ND HEM A 201 2.520 8.126 4.963 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.608 7.747 5.914 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.866 8.550 7.084 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.853 9.455 6.755 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.268 9.175 5.396 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.222 8.400 8.445 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.447 10.464 7.714 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.469 11.528 8.193 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.723 11.911 9.644 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.552 11.012 10.497 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.083 13.085 9.873 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.257 8.986 -0.128 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.799 10.401 0.805 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.432 10.551 -0.324 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.145 6.441 -2.240 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.167 5.064 -2.800 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.623 4.780 -1.817 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.719 2.650 3.579 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.756 2.633 2.083 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -2.142 3.740 2.237 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 1.921 8.724 9.216 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.958 7.355 8.610 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.322 9.013 8.491 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.589 1.675 -1.503 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 2.138 2.190 0.229 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.417 3.379 7.037 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.770 2.897 6.250 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.662 12.794 3.944 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.244 12.236 2.336 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.989 11.908 2.303 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.643 11.615 3.996 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.449 11.159 8.087 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.556 12.413 7.562 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.291 10.955 7.229 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.842 9.934 8.581 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.693 10.743 5.143 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.727 7.567 -0.382 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.700 3.784 0.907 1.00 10.00 H new HETATM 0 HHD HEM A 201 -0.016 6.584 6.678 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.159 3.858 -2.346 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.515 5.362 5.607 1.00 10.00 H new