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 49 GLN : amide:sc= 0.668 K(o=1.2,f=-1.4!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.546 K(o=1.2,f=-1.4) 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 -117:sc= 1.94 USER MOD Single : A 13 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0.72) USER MOD Single : A 15 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-2.7) USER MOD Single : A 16 ASN : amide:sc= 1 K(o=1,f=-0.27) USER MOD Single : A 17 ASN : amide:sc= 0.513 K(o=0.51,f=-5.1!) 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= -0.155 USER MOD Single : A 21 THR OG1 : rot -120:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.0338 K(o=-0.034,f=-0.57) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.22 (180deg=1.07) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -120:sc= 0.86 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 25:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 71 SER OG : rot -88:sc= 0.873 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.316 (180deg=-0.816) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-3.9!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.837 (180deg=-0.837) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.218 (180deg=-0.493) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.7 (180deg=-0.7) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.624 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.856 -9.400 -18.590 1.00 10.00 N ATOM 2 CA ALA A 3 1.177 -8.098 -18.708 1.00 10.00 C ATOM 3 C ALA A 3 0.676 -7.740 -17.315 1.00 10.00 C ATOM 4 O ALA A 3 1.069 -8.436 -16.379 1.00 10.00 O ATOM 5 CB ALA A 3 0.049 -8.156 -19.745 1.00 10.00 C ATOM 0 HA ALA A 3 1.857 -7.325 -19.067 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -0.435 -7.181 -19.811 1.00 10.00 H new ATOM 0 HB2 ALA A 3 0.462 -8.423 -20.718 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -0.684 -8.905 -19.444 1.00 10.00 H new ATOM 13 N VAL A 4 -0.162 -6.710 -17.170 1.00 10.00 N ATOM 14 CA VAL A 4 -0.834 -6.449 -15.905 1.00 10.00 C ATOM 15 C VAL A 4 -1.636 -7.688 -15.498 1.00 10.00 C ATOM 16 O VAL A 4 -2.181 -8.380 -16.358 1.00 10.00 O ATOM 17 CB VAL A 4 -1.712 -5.185 -16.013 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.847 -5.316 -17.039 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.310 -4.806 -14.652 1.00 10.00 C ATOM 0 H VAL A 4 -0.387 -6.048 -17.913 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.100 -6.252 -15.123 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.042 -4.398 -16.359 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.424 -4.392 -17.063 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.425 -5.506 -18.026 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.498 -6.143 -16.757 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.924 -3.912 -14.761 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.926 -5.626 -14.284 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.506 -4.610 -13.943 1.00 10.00 H new ATOM 29 N LYS A 5 -1.697 -7.969 -14.196 1.00 10.00 N ATOM 30 CA LYS A 5 -2.564 -8.987 -13.635 1.00 10.00 C ATOM 31 C LYS A 5 -3.276 -8.328 -12.459 1.00 10.00 C ATOM 32 O LYS A 5 -2.624 -7.875 -11.522 1.00 10.00 O ATOM 33 CB LYS A 5 -1.740 -10.216 -13.222 1.00 10.00 C ATOM 34 CG LYS A 5 -2.629 -11.462 -13.107 1.00 10.00 C ATOM 35 CD LYS A 5 -1.800 -12.685 -12.690 1.00 10.00 C ATOM 36 CE LYS A 5 -2.589 -13.978 -12.952 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.878 -15.180 -12.465 1.00 10.00 N ATOM 0 H LYS A 5 -1.134 -7.484 -13.497 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.297 -9.354 -14.353 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.953 -10.393 -13.955 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.250 -10.025 -12.267 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.418 -11.285 -12.376 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.117 -11.656 -14.062 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.862 -12.704 -13.246 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.543 -12.616 -11.633 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.562 -13.912 -12.465 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.774 -14.077 -14.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.449 -16.026 -12.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.961 -15.260 -12.948 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.724 -15.100 -11.440 1.00 10.00 H new ATOM 51 N TYR A 6 -4.601 -8.214 -12.539 1.00 10.00 N ATOM 52 CA TYR A 6 -5.387 -7.673 -11.445 1.00 10.00 C ATOM 53 C TYR A 6 -5.337 -8.638 -10.262 1.00 10.00 C ATOM 54 O TYR A 6 -5.120 -9.835 -10.458 1.00 10.00 O ATOM 55 CB TYR A 6 -6.826 -7.417 -11.894 1.00 10.00 C ATOM 56 CG TYR A 6 -6.985 -6.503 -13.094 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.870 -7.010 -14.403 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.259 -5.137 -12.903 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.896 -6.133 -15.503 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.307 -4.266 -14.003 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.069 -4.754 -15.297 1.00 10.00 C ATOM 62 OH TYR A 6 -6.994 -3.889 -16.346 1.00 10.00 O ATOM 0 H TYR A 6 -5.148 -8.491 -13.354 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.968 -6.716 -11.133 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.291 -8.375 -12.125 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.378 -6.988 -11.058 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.762 -8.073 -14.563 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.433 -4.757 -11.907 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.783 -6.520 -16.505 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.527 -3.219 -13.853 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.138 -2.974 -16.026 1.00 10.00 H new ATOM 72 N TYR A 7 -5.539 -8.121 -9.049 1.00 10.00 N ATOM 73 CA TYR A 7 -5.535 -8.915 -7.831 1.00 10.00 C ATOM 74 C TYR A 7 -6.843 -8.679 -7.082 1.00 10.00 C ATOM 75 O TYR A 7 -7.397 -7.577 -7.126 1.00 10.00 O ATOM 76 CB TYR A 7 -4.318 -8.561 -6.972 1.00 10.00 C ATOM 77 CG TYR A 7 -2.990 -8.624 -7.703 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.418 -9.870 -8.018 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.334 -7.438 -8.081 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.186 -9.930 -8.693 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.119 -7.500 -8.782 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.541 -8.743 -9.082 1.00 10.00 C ATOM 83 OH TYR A 7 0.677 -8.790 -9.692 1.00 10.00 O ATOM 0 H TYR A 7 -5.711 -7.129 -8.889 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.461 -9.975 -8.075 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.451 -7.555 -6.573 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.281 -9.240 -6.120 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.926 -10.782 -7.741 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.765 -6.480 -7.832 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.736 -10.887 -8.912 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.628 -6.589 -9.091 1.00 10.00 H new ATOM 0 HH TYR A 7 0.977 -7.879 -9.894 1.00 10.00 H new ATOM 93 N THR A 8 -7.351 -9.733 -6.444 1.00 10.00 N ATOM 94 CA THR A 8 -8.579 -9.702 -5.668 1.00 10.00 C ATOM 95 C THR A 8 -8.269 -9.223 -4.253 1.00 10.00 C ATOM 96 O THR A 8 -7.146 -9.370 -3.768 1.00 10.00 O ATOM 97 CB THR A 8 -9.183 -11.114 -5.594 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.360 -11.917 -4.774 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.355 -11.771 -6.967 1.00 10.00 C ATOM 0 H THR A 8 -6.906 -10.651 -6.456 1.00 10.00 H new ATOM 0 HA THR A 8 -9.288 -9.025 -6.145 1.00 10.00 H new ATOM 0 HB THR A 8 -10.184 -11.022 -5.172 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.989 -12.653 -5.304 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.786 -12.765 -6.843 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.018 -11.162 -7.581 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.384 -11.855 -7.455 1.00 10.00 H new ATOM 107 N LEU A 9 -9.286 -8.723 -3.560 1.00 10.00 N ATOM 108 CA LEU A 9 -9.219 -8.339 -2.167 1.00 10.00 C ATOM 109 C LEU A 9 -8.662 -9.500 -1.342 1.00 10.00 C ATOM 110 O LEU A 9 -7.836 -9.287 -0.467 1.00 10.00 O ATOM 111 CB LEU A 9 -10.621 -7.914 -1.696 1.00 10.00 C ATOM 112 CG LEU A 9 -10.624 -6.558 -0.973 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.065 -6.144 -0.656 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.800 -6.592 0.319 1.00 10.00 C ATOM 0 H LEU A 9 -10.207 -8.571 -3.972 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.547 -7.491 -2.034 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.288 -7.862 -2.557 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.021 -8.677 -1.028 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.163 -5.829 -1.639 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.063 -5.182 -0.143 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.632 -6.060 -1.583 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.527 -6.895 -0.016 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.831 -5.612 0.796 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.216 -7.338 0.996 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.767 -6.849 0.085 1.00 10.00 H new ATOM 126 N GLU A 10 -9.091 -10.727 -1.651 1.00 10.00 N ATOM 127 CA GLU A 10 -8.621 -11.965 -1.037 1.00 10.00 C ATOM 128 C GLU A 10 -7.107 -12.120 -1.200 1.00 10.00 C ATOM 129 O GLU A 10 -6.364 -12.194 -0.219 1.00 10.00 O ATOM 130 CB GLU A 10 -9.380 -13.126 -1.692 1.00 10.00 C ATOM 131 CG GLU A 10 -9.075 -14.542 -1.160 1.00 10.00 C ATOM 132 CD GLU A 10 -9.447 -14.833 0.291 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.026 -13.945 0.948 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.109 -15.960 0.729 1.00 10.00 O ATOM 0 H GLU A 10 -9.803 -10.888 -2.364 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.815 -11.954 0.036 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.448 -12.942 -1.577 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.168 -13.111 -2.761 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.595 -15.261 -1.793 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.007 -14.726 -1.279 1.00 10.00 H new ATOM 141 N GLU A 11 -6.646 -12.172 -2.451 1.00 10.00 N ATOM 142 CA GLU A 11 -5.235 -12.300 -2.770 1.00 10.00 C ATOM 143 C GLU A 11 -4.436 -11.220 -2.036 1.00 10.00 C ATOM 144 O GLU A 11 -3.471 -11.522 -1.336 1.00 10.00 O ATOM 145 CB GLU A 11 -5.042 -12.219 -4.291 1.00 10.00 C ATOM 146 CG GLU A 11 -5.020 -13.605 -4.953 1.00 10.00 C ATOM 147 CD GLU A 11 -6.302 -14.396 -4.732 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.254 -14.144 -5.504 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.305 -15.228 -3.799 1.00 10.00 O ATOM 0 H GLU A 11 -7.250 -12.126 -3.272 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.864 -13.269 -2.436 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.846 -11.625 -4.725 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.108 -11.700 -4.509 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.854 -13.486 -6.024 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.177 -14.174 -4.561 1.00 10.00 H new ATOM 156 N ILE A 12 -4.854 -9.962 -2.175 1.00 10.00 N ATOM 157 CA ILE A 12 -4.168 -8.840 -1.552 1.00 10.00 C ATOM 158 C ILE A 12 -4.172 -9.016 -0.023 1.00 10.00 C ATOM 159 O ILE A 12 -3.132 -8.857 0.612 1.00 10.00 O ATOM 160 CB ILE A 12 -4.791 -7.510 -2.025 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.763 -7.389 -3.565 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.031 -6.305 -1.454 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.783 -6.366 -4.068 1.00 10.00 C ATOM 0 H ILE A 12 -5.674 -9.697 -2.721 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.123 -8.812 -1.860 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.821 -7.512 -1.668 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.764 -7.098 -3.890 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.972 -8.361 -4.011 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.494 -5.383 -1.805 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.065 -6.336 -0.365 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.993 -6.339 -1.786 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.734 -6.308 -5.155 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.785 -6.672 -3.765 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.558 -5.388 -3.642 1.00 10.00 H new ATOM 175 N GLN A 13 -5.307 -9.404 0.569 1.00 10.00 N ATOM 176 CA GLN A 13 -5.452 -9.649 1.995 1.00 10.00 C ATOM 177 C GLN A 13 -4.397 -10.624 2.497 1.00 10.00 C ATOM 178 O GLN A 13 -3.835 -10.418 3.567 1.00 10.00 O ATOM 179 CB GLN A 13 -6.870 -10.138 2.327 1.00 10.00 C ATOM 180 CG GLN A 13 -7.829 -8.984 2.651 1.00 10.00 C ATOM 181 CD GLN A 13 -7.550 -8.335 4.006 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.631 -8.718 4.723 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.350 -7.343 4.384 1.00 10.00 N ATOM 0 H GLN A 13 -6.170 -9.559 0.048 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.297 -8.704 2.515 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.262 -10.706 1.483 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.826 -10.819 3.177 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.754 -8.227 1.870 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.853 -9.356 2.637 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.109 -7.039 3.774 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.205 -6.886 5.284 1.00 10.00 H new ATOM 192 N LYS A 14 -4.100 -11.680 1.738 1.00 10.00 N ATOM 193 CA LYS A 14 -3.099 -12.659 2.155 1.00 10.00 C ATOM 194 C LYS A 14 -1.734 -11.979 2.338 1.00 10.00 C ATOM 195 O LYS A 14 -0.963 -12.333 3.230 1.00 10.00 O ATOM 196 CB LYS A 14 -3.038 -13.834 1.164 1.00 10.00 C ATOM 197 CG LYS A 14 -4.443 -14.333 0.796 1.00 10.00 C ATOM 198 CD LYS A 14 -4.726 -15.818 1.045 1.00 10.00 C ATOM 199 CE LYS A 14 -6.183 -15.999 0.590 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.861 -17.198 1.109 1.00 10.00 N ATOM 0 H LYS A 14 -4.536 -11.877 0.837 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.389 -13.075 3.120 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.513 -13.523 0.261 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.464 -14.651 1.601 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.171 -13.748 1.357 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.613 -14.125 -0.260 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.048 -16.455 0.476 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.601 -16.078 2.096 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.752 -15.120 0.893 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.204 -16.033 -0.499 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.884 -17.020 1.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -6.686 -18.000 0.470 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -6.493 -17.423 2.055 1.00 10.00 H new ATOM 214 N HIS A 15 -1.458 -10.951 1.535 1.00 10.00 N ATOM 215 CA HIS A 15 -0.245 -10.155 1.602 1.00 10.00 C ATOM 216 C HIS A 15 -0.454 -9.031 2.623 1.00 10.00 C ATOM 217 O HIS A 15 -0.414 -7.845 2.296 1.00 10.00 O ATOM 218 CB HIS A 15 0.121 -9.628 0.207 1.00 10.00 C ATOM 219 CG HIS A 15 0.578 -10.675 -0.781 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.711 -10.601 -1.560 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.102 -11.800 -1.166 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.723 -11.672 -2.370 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.641 -12.437 -2.163 1.00 10.00 N ATOM 0 H HIS A 15 -2.095 -10.645 0.800 1.00 10.00 H new ATOM 0 HA HIS A 15 0.597 -10.762 1.934 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.746 -9.115 -0.208 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.911 -8.884 0.314 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.048 -12.136 -0.768 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.498 -11.888 -3.090 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.407 -13.309 -2.638 1.00 10.00 H new ATOM 231 N ASN A 16 -0.645 -9.429 3.883 1.00 10.00 N ATOM 232 CA ASN A 16 -0.718 -8.533 5.040 1.00 10.00 C ATOM 233 C ASN A 16 0.523 -8.651 5.931 1.00 10.00 C ATOM 234 O ASN A 16 0.711 -7.844 6.843 1.00 10.00 O ATOM 235 CB ASN A 16 -1.961 -8.844 5.885 1.00 10.00 C ATOM 236 CG ASN A 16 -1.862 -10.242 6.487 1.00 10.00 C ATOM 237 OD1 ASN A 16 -1.306 -10.433 7.566 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.340 -11.235 5.747 1.00 10.00 N ATOM 0 H ASN A 16 -0.756 -10.411 4.134 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.775 -7.517 4.650 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.061 -8.105 6.680 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.856 -8.770 5.267 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.252 -12.199 6.069 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.795 -11.034 4.857 1.00 10.00 H new ATOM 245 N ASN A 17 1.316 -9.711 5.754 1.00 10.00 N ATOM 246 CA ASN A 17 2.200 -10.222 6.797 1.00 10.00 C ATOM 247 C ASN A 17 3.643 -9.749 6.594 1.00 10.00 C ATOM 248 O ASN A 17 3.994 -9.242 5.525 1.00 10.00 O ATOM 249 CB ASN A 17 2.079 -11.753 6.855 1.00 10.00 C ATOM 250 CG ASN A 17 2.596 -12.357 8.163 1.00 10.00 C ATOM 251 OD1 ASN A 17 2.959 -11.644 9.096 1.00 10.00 O ATOM 252 ND2 ASN A 17 2.637 -13.682 8.249 1.00 10.00 N ATOM 0 H ASN A 17 1.361 -10.237 4.882 1.00 10.00 H new ATOM 0 HA ASN A 17 1.893 -9.820 7.762 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.034 -12.032 6.723 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.632 -12.185 6.021 1.00 10.00 H new ATOM 0 HD21 ASN A 17 2.975 -14.127 9.102 1.00 10.00 H new ATOM 0 HD22 ASN A 17 2.331 -14.254 7.462 1.00 10.00 H new ATOM 259 N SER A 18 4.480 -9.918 7.625 1.00 10.00 N ATOM 260 CA SER A 18 5.900 -9.583 7.630 1.00 10.00 C ATOM 261 C SER A 18 6.652 -10.472 6.632 1.00 10.00 C ATOM 262 O SER A 18 7.300 -11.451 6.997 1.00 10.00 O ATOM 263 CB SER A 18 6.460 -9.703 9.055 1.00 10.00 C ATOM 264 OG SER A 18 7.701 -9.031 9.132 1.00 10.00 O ATOM 0 H SER A 18 4.168 -10.309 8.514 1.00 10.00 H new ATOM 0 HA SER A 18 6.038 -8.550 7.311 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.758 -9.275 9.770 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.586 -10.753 9.321 1.00 10.00 H new ATOM 0 HG SER A 18 8.058 -9.106 10.042 1.00 10.00 H new ATOM 270 N LYS A 19 6.502 -10.132 5.355 1.00 10.00 N ATOM 271 CA LYS A 19 7.017 -10.821 4.186 1.00 10.00 C ATOM 272 C LYS A 19 6.512 -10.093 2.942 1.00 10.00 C ATOM 273 O LYS A 19 7.254 -9.920 1.976 1.00 10.00 O ATOM 274 CB LYS A 19 6.563 -12.294 4.143 1.00 10.00 C ATOM 275 CG LYS A 19 7.765 -13.238 4.256 1.00 10.00 C ATOM 276 CD LYS A 19 7.363 -14.668 3.873 1.00 10.00 C ATOM 277 CE LYS A 19 8.579 -15.603 3.957 1.00 10.00 C ATOM 278 NZ LYS A 19 8.275 -16.960 3.457 1.00 10.00 N ATOM 0 H LYS A 19 5.973 -9.299 5.095 1.00 10.00 H new ATOM 0 HA LYS A 19 8.106 -10.817 4.227 1.00 10.00 H new ATOM 0 HB2 LYS A 19 5.865 -12.488 4.957 1.00 10.00 H new ATOM 0 HB3 LYS A 19 6.029 -12.488 3.213 1.00 10.00 H new ATOM 0 HG2 LYS A 19 8.568 -12.893 3.605 1.00 10.00 H new ATOM 0 HG3 LYS A 19 8.152 -13.223 5.275 1.00 10.00 H new ATOM 0 HD2 LYS A 19 6.576 -15.023 4.539 1.00 10.00 H new ATOM 0 HD3 LYS A 19 6.955 -14.680 2.862 1.00 10.00 H new ATOM 0 HE2 LYS A 19 9.401 -15.180 3.379 1.00 10.00 H new ATOM 0 HE3 LYS A 19 8.916 -15.666 4.992 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 9.124 -17.556 3.533 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 7.509 -17.375 4.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 7.978 -16.905 2.462 1.00 10.00 H new ATOM 292 N SER A 20 5.233 -9.707 2.943 1.00 10.00 N ATOM 293 CA SER A 20 4.598 -9.058 1.821 1.00 10.00 C ATOM 294 C SER A 20 3.429 -8.225 2.337 1.00 10.00 C ATOM 295 O SER A 20 2.366 -8.770 2.609 1.00 10.00 O ATOM 296 CB SER A 20 4.123 -10.119 0.831 1.00 10.00 C ATOM 297 OG SER A 20 5.198 -10.937 0.410 1.00 10.00 O ATOM 0 H SER A 20 4.611 -9.844 3.740 1.00 10.00 H new ATOM 0 HA SER A 20 5.299 -8.400 1.307 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.352 -10.735 1.295 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.668 -9.637 -0.034 1.00 10.00 H new ATOM 0 HG SER A 20 4.869 -11.610 -0.222 1.00 10.00 H new ATOM 303 N THR A 21 3.642 -6.918 2.477 1.00 10.00 N ATOM 304 CA THR A 21 2.612 -5.924 2.735 1.00 10.00 C ATOM 305 C THR A 21 2.131 -5.350 1.401 1.00 10.00 C ATOM 306 O THR A 21 2.830 -4.528 0.803 1.00 10.00 O ATOM 307 CB THR A 21 3.202 -4.842 3.649 1.00 10.00 C ATOM 308 OG1 THR A 21 3.387 -5.403 4.933 1.00 10.00 O ATOM 309 CG2 THR A 21 2.312 -3.598 3.741 1.00 10.00 C ATOM 0 H THR A 21 4.575 -6.511 2.411 1.00 10.00 H new ATOM 0 HA THR A 21 1.750 -6.364 3.237 1.00 10.00 H new ATOM 0 HB THR A 21 4.150 -4.512 3.225 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.860 -4.900 5.589 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.778 -2.865 4.400 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.188 -3.165 2.748 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.337 -3.877 4.140 1.00 10.00 H new ATOM 317 N TRP A 22 0.949 -5.781 0.947 1.00 10.00 N ATOM 318 CA TRP A 22 0.222 -5.190 -0.164 1.00 10.00 C ATOM 319 C TRP A 22 -0.996 -4.442 0.369 1.00 10.00 C ATOM 320 O TRP A 22 -1.392 -4.632 1.517 1.00 10.00 O ATOM 321 CB TRP A 22 -0.267 -6.273 -1.122 1.00 10.00 C ATOM 322 CG TRP A 22 0.742 -7.025 -1.926 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.081 -6.971 -1.791 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.495 -7.893 -3.070 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.677 -7.722 -2.775 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.748 -8.314 -3.605 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.668 -8.341 -3.726 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.839 -9.141 -4.735 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.593 -9.190 -4.842 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.658 -9.588 -5.351 1.00 10.00 C ATOM 0 H TRP A 22 0.463 -6.576 1.361 1.00 10.00 H new ATOM 0 HA TRP A 22 0.893 -4.511 -0.691 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.834 -6.999 -0.539 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.965 -5.808 -1.818 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.607 -6.420 -1.025 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.686 -7.829 -2.879 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.635 -8.026 -3.364 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.803 -9.430 -5.126 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.500 -9.540 -5.313 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.710 -10.236 -6.214 1.00 10.00 H new ATOM 341 N LEU A 23 -1.606 -3.604 -0.473 1.00 10.00 N ATOM 342 CA LEU A 23 -2.746 -2.774 -0.119 1.00 10.00 C ATOM 343 C LEU A 23 -3.262 -2.067 -1.373 1.00 10.00 C ATOM 344 O LEU A 23 -2.602 -2.119 -2.413 1.00 10.00 O ATOM 345 CB LEU A 23 -2.391 -1.801 1.019 1.00 10.00 C ATOM 346 CG LEU A 23 -1.047 -1.084 0.817 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.214 0.174 -0.023 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.477 -0.648 2.162 1.00 10.00 C ATOM 0 H LEU A 23 -1.309 -3.486 -1.442 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.553 -3.398 0.267 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.181 -1.056 1.109 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.363 -2.350 1.960 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.383 -1.787 0.314 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.246 0.659 -0.148 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.616 -0.092 -1.001 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.900 0.857 0.478 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.475 -0.141 2.006 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.175 0.033 2.650 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.323 -1.523 2.793 1.00 10.00 H new ATOM 360 N ILE A 24 -4.433 -1.424 -1.258 1.00 10.00 N ATOM 361 CA ILE A 24 -5.169 -0.788 -2.349 1.00 10.00 C ATOM 362 C ILE A 24 -5.280 0.711 -2.070 1.00 10.00 C ATOM 363 O ILE A 24 -5.942 1.104 -1.101 1.00 10.00 O ATOM 364 CB ILE A 24 -6.580 -1.397 -2.503 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.503 -2.870 -2.935 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.388 -0.605 -3.549 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.831 -3.603 -2.705 1.00 10.00 C ATOM 0 H ILE A 24 -4.910 -1.332 -0.361 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.627 -0.958 -3.280 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.075 -1.341 -1.534 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.236 -2.925 -3.990 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.711 -3.371 -2.379 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.381 -1.043 -3.650 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.480 0.433 -3.228 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.875 -0.644 -4.510 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.734 -4.641 -3.023 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.086 -3.571 -1.646 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.619 -3.119 -3.282 1.00 10.00 H new ATOM 379 N LEU A 25 -4.678 1.542 -2.930 1.00 10.00 N ATOM 380 CA LEU A 25 -4.898 2.977 -2.953 1.00 10.00 C ATOM 381 C LEU A 25 -5.570 3.304 -4.289 1.00 10.00 C ATOM 382 O LEU A 25 -4.916 3.255 -5.325 1.00 10.00 O ATOM 383 CB LEU A 25 -3.579 3.753 -2.824 1.00 10.00 C ATOM 384 CG LEU A 25 -2.813 3.761 -1.491 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.430 2.905 -0.402 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.335 3.398 -1.686 1.00 10.00 C ATOM 0 H LEU A 25 -4.016 1.222 -3.637 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.522 3.271 -2.109 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.901 3.366 -3.584 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.788 4.791 -3.083 1.00 10.00 H new ATOM 0 HG LEU A 25 -2.887 4.790 -1.139 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -2.823 2.972 0.501 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.438 3.259 -0.188 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.473 1.868 -0.735 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.826 3.414 -0.722 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.259 2.401 -2.120 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.868 4.121 -2.355 1.00 10.00 H new ATOM 398 N HIS A 26 -6.866 3.621 -4.284 1.00 10.00 N ATOM 399 CA HIS A 26 -7.622 4.018 -5.472 1.00 10.00 C ATOM 400 C HIS A 26 -7.624 2.917 -6.534 1.00 10.00 C ATOM 401 O HIS A 26 -7.223 3.139 -7.674 1.00 10.00 O ATOM 402 CB HIS A 26 -7.113 5.339 -6.064 1.00 10.00 C ATOM 403 CG HIS A 26 -7.003 6.458 -5.070 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.991 7.353 -4.732 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.870 6.807 -4.392 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.455 8.226 -3.864 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.163 7.935 -3.627 1.00 10.00 N ATOM 0 H HIS A 26 -7.431 3.608 -3.435 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.650 4.176 -5.147 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.134 5.170 -6.513 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.783 5.646 -6.867 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -8.951 7.354 -5.076 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.918 6.300 -4.440 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.989 9.051 -3.416 1.00 10.00 H new ATOM 415 N TYR A 27 -8.098 1.725 -6.161 1.00 10.00 N ATOM 416 CA TYR A 27 -8.252 0.585 -7.061 1.00 10.00 C ATOM 417 C TYR A 27 -6.921 0.129 -7.685 1.00 10.00 C ATOM 418 O TYR A 27 -6.932 -0.632 -8.651 1.00 10.00 O ATOM 419 CB TYR A 27 -9.295 0.870 -8.159 1.00 10.00 C ATOM 420 CG TYR A 27 -10.653 1.363 -7.685 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.859 2.722 -7.377 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.744 0.476 -7.648 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.111 3.158 -6.910 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.994 0.911 -7.177 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.173 2.248 -6.788 1.00 10.00 C ATOM 426 OH TYR A 27 -14.385 2.677 -6.338 1.00 10.00 O ATOM 0 H TYR A 27 -8.391 1.524 -5.205 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.613 -0.238 -6.444 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.880 1.612 -8.841 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.444 -0.043 -8.735 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.053 3.431 -7.500 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.620 -0.543 -7.983 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.256 4.195 -6.645 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.818 0.216 -7.114 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.010 1.923 -6.314 1.00 10.00 H new ATOM 436 N LYS A 28 -5.783 0.577 -7.147 1.00 10.00 N ATOM 437 CA LYS A 28 -4.445 0.255 -7.621 1.00 10.00 C ATOM 438 C LYS A 28 -3.747 -0.488 -6.483 1.00 10.00 C ATOM 439 O LYS A 28 -3.838 -0.041 -5.337 1.00 10.00 O ATOM 440 CB LYS A 28 -3.713 1.558 -7.968 1.00 10.00 C ATOM 441 CG LYS A 28 -4.381 2.361 -9.093 1.00 10.00 C ATOM 442 CD LYS A 28 -3.603 2.241 -10.407 1.00 10.00 C ATOM 443 CE LYS A 28 -4.303 3.075 -11.489 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.737 2.828 -12.829 1.00 10.00 N ATOM 0 H LYS A 28 -5.774 1.198 -6.338 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.461 -0.365 -8.517 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.655 2.180 -7.075 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.690 1.323 -8.260 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.401 2.005 -9.239 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.448 3.410 -8.803 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.579 2.588 -10.270 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.547 1.197 -10.716 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.367 2.840 -11.496 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.212 4.134 -11.246 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.830 3.687 -13.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.732 2.577 -12.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.250 2.046 -13.284 1.00 10.00 H new ATOM 458 N VAL A 29 -3.100 -1.620 -6.779 1.00 10.00 N ATOM 459 CA VAL A 29 -2.416 -2.446 -5.796 1.00 10.00 C ATOM 460 C VAL A 29 -0.923 -2.119 -5.796 1.00 10.00 C ATOM 461 O VAL A 29 -0.301 -2.030 -6.860 1.00 10.00 O ATOM 462 CB VAL A 29 -2.633 -3.938 -6.085 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.254 -4.773 -4.854 1.00 10.00 C ATOM 464 CG2 VAL A 29 -4.086 -4.240 -6.448 1.00 10.00 C ATOM 0 H VAL A 29 -3.040 -1.989 -7.728 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.832 -2.229 -4.812 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.999 -4.197 -6.933 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.411 -5.830 -5.069 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.205 -4.605 -4.609 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.876 -4.478 -4.009 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.198 -5.306 -6.645 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.735 -3.954 -5.620 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.364 -3.675 -7.338 1.00 10.00 H new ATOM 474 N TYR A 30 -0.356 -1.959 -4.597 1.00 10.00 N ATOM 475 CA TYR A 30 1.036 -1.585 -4.393 1.00 10.00 C ATOM 476 C TYR A 30 1.748 -2.675 -3.599 1.00 10.00 C ATOM 477 O TYR A 30 1.243 -3.063 -2.549 1.00 10.00 O ATOM 478 CB TYR A 30 1.079 -0.249 -3.645 1.00 10.00 C ATOM 479 CG TYR A 30 0.449 0.879 -4.434 1.00 10.00 C ATOM 480 CD1 TYR A 30 -0.942 1.068 -4.381 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.215 1.614 -5.356 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.553 2.001 -5.229 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.601 2.583 -6.171 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.785 2.782 -6.100 1.00 10.00 C ATOM 485 OH TYR A 30 -1.389 3.700 -6.907 1.00 10.00 O ATOM 0 H TYR A 30 -0.868 -2.090 -3.725 1.00 10.00 H new ATOM 0 HA TYR A 30 1.544 -1.475 -5.351 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.562 -0.354 -2.691 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.115 0.004 -3.420 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.540 0.495 -3.688 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.277 1.434 -5.439 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.626 2.119 -5.210 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.197 3.173 -6.851 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.711 4.157 -7.448 1.00 10.00 H new ATOM 495 N ASP A 31 2.907 -3.142 -4.079 1.00 10.00 N ATOM 496 CA ASP A 31 3.803 -4.021 -3.328 1.00 10.00 C ATOM 497 C ASP A 31 4.935 -3.167 -2.779 1.00 10.00 C ATOM 498 O ASP A 31 5.723 -2.639 -3.558 1.00 10.00 O ATOM 499 CB ASP A 31 4.385 -5.118 -4.228 1.00 10.00 C ATOM 500 CG ASP A 31 5.447 -5.947 -3.509 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.062 -6.662 -2.557 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.618 -5.881 -3.931 1.00 10.00 O ATOM 0 H ASP A 31 3.251 -2.915 -5.012 1.00 10.00 H new ATOM 0 HA ASP A 31 3.248 -4.507 -2.525 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.582 -5.773 -4.566 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.821 -4.663 -5.117 1.00 10.00 H new ATOM 507 N LEU A 32 4.989 -2.983 -1.457 1.00 10.00 N ATOM 508 CA LEU A 32 6.045 -2.233 -0.810 1.00 10.00 C ATOM 509 C LEU A 32 6.918 -3.189 0.005 1.00 10.00 C ATOM 510 O LEU A 32 7.904 -3.703 -0.513 1.00 10.00 O ATOM 511 CB LEU A 32 5.445 -1.069 -0.015 1.00 10.00 C ATOM 512 CG LEU A 32 4.607 -0.143 -0.919 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.136 -0.157 -0.487 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.191 1.266 -0.881 1.00 10.00 C ATOM 0 H LEU A 32 4.293 -3.356 -0.811 1.00 10.00 H new ATOM 0 HA LEU A 32 6.709 -1.771 -1.540 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.820 -1.459 0.788 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.245 -0.496 0.454 1.00 10.00 H new ATOM 0 HG LEU A 32 4.645 -0.504 -1.947 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.560 0.502 -1.136 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.745 -1.172 -0.561 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.056 0.189 0.544 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.600 1.922 -1.520 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.171 1.641 0.142 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.220 1.243 -1.238 1.00 10.00 H new ATOM 526 N THR A 33 6.568 -3.437 1.272 1.00 10.00 N ATOM 527 CA THR A 33 7.174 -4.420 2.170 1.00 10.00 C ATOM 528 C THR A 33 8.620 -4.105 2.586 1.00 10.00 C ATOM 529 O THR A 33 8.921 -4.044 3.772 1.00 10.00 O ATOM 530 CB THR A 33 6.920 -5.862 1.680 1.00 10.00 C ATOM 531 OG1 THR A 33 6.386 -6.610 2.755 1.00 10.00 O ATOM 532 CG2 THR A 33 8.138 -6.609 1.128 1.00 10.00 C ATOM 0 H THR A 33 5.809 -2.925 1.722 1.00 10.00 H new ATOM 0 HA THR A 33 6.652 -4.338 3.123 1.00 10.00 H new ATOM 0 HB THR A 33 6.236 -5.765 0.837 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.979 -7.364 2.955 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.840 -7.610 0.815 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.541 -6.066 0.273 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.901 -6.683 1.903 1.00 10.00 H new ATOM 540 N LYS A 34 9.523 -3.869 1.640 1.00 10.00 N ATOM 541 CA LYS A 34 10.874 -3.410 1.928 1.00 10.00 C ATOM 542 C LYS A 34 10.863 -1.913 2.256 1.00 10.00 C ATOM 543 O LYS A 34 11.782 -1.418 2.897 1.00 10.00 O ATOM 544 CB LYS A 34 11.777 -3.743 0.734 1.00 10.00 C ATOM 545 CG LYS A 34 11.974 -5.264 0.656 1.00 10.00 C ATOM 546 CD LYS A 34 12.627 -5.681 -0.665 1.00 10.00 C ATOM 547 CE LYS A 34 12.789 -7.209 -0.693 1.00 10.00 C ATOM 548 NZ LYS A 34 13.291 -7.693 -1.995 1.00 10.00 N ATOM 0 H LYS A 34 9.335 -3.992 0.645 1.00 10.00 H new ATOM 0 HA LYS A 34 11.272 -3.921 2.805 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.329 -3.375 -0.189 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.741 -3.245 0.842 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.594 -5.594 1.489 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.010 -5.762 0.759 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.015 -5.353 -1.505 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.599 -5.199 -0.771 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.477 -7.514 0.096 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.829 -7.678 -0.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.385 -8.728 -1.968 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.623 -7.425 -2.746 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.219 -7.266 -2.189 1.00 10.00 H new ATOM 562 N PHE A 35 9.796 -1.207 1.863 1.00 10.00 N ATOM 563 CA PHE A 35 9.684 0.234 2.042 1.00 10.00 C ATOM 564 C PHE A 35 9.109 0.562 3.420 1.00 10.00 C ATOM 565 O PHE A 35 8.895 1.728 3.718 1.00 10.00 O ATOM 566 CB PHE A 35 8.779 0.820 0.947 1.00 10.00 C ATOM 567 CG PHE A 35 8.970 2.302 0.661 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.215 2.774 0.209 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.908 3.211 0.840 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.413 4.145 -0.026 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.099 4.581 0.585 1.00 10.00 C ATOM 572 CZ PHE A 35 9.355 5.050 0.163 1.00 10.00 C ATOM 0 H PHE A 35 8.985 -1.628 1.410 1.00 10.00 H new ATOM 0 HA PHE A 35 10.678 0.675 1.968 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.949 0.265 0.024 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.740 0.654 1.232 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.024 2.078 0.041 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.945 2.855 1.174 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.378 4.503 -0.352 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.280 5.273 0.714 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.507 6.104 -0.016 1.00 10.00 H new ATOM 582 N LEU A 36 8.788 -0.436 4.251 1.00 10.00 N ATOM 583 CA LEU A 36 8.106 -0.206 5.518 1.00 10.00 C ATOM 584 C LEU A 36 8.887 0.778 6.389 1.00 10.00 C ATOM 585 O LEU A 36 8.368 1.825 6.763 1.00 10.00 O ATOM 586 CB LEU A 36 7.896 -1.545 6.234 1.00 10.00 C ATOM 587 CG LEU A 36 6.899 -2.460 5.511 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.962 -3.855 6.146 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.461 -1.949 5.622 1.00 10.00 C ATOM 0 H LEU A 36 8.994 -1.417 4.061 1.00 10.00 H new ATOM 0 HA LEU A 36 7.132 0.243 5.324 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.854 -2.058 6.322 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.540 -1.357 7.247 1.00 10.00 H new ATOM 0 HG LEU A 36 7.173 -2.483 4.456 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.258 -4.517 5.642 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.971 -4.255 6.046 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.702 -3.786 7.202 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.792 -2.629 5.095 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.173 -1.898 6.672 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.392 -0.956 5.178 1.00 10.00 H new ATOM 601 N GLU A 37 10.137 0.444 6.707 1.00 10.00 N ATOM 602 CA GLU A 37 11.000 1.301 7.509 1.00 10.00 C ATOM 603 C GLU A 37 11.351 2.592 6.758 1.00 10.00 C ATOM 604 O GLU A 37 11.464 3.656 7.362 1.00 10.00 O ATOM 605 CB GLU A 37 12.252 0.517 7.908 1.00 10.00 C ATOM 606 CG GLU A 37 11.900 -0.683 8.799 1.00 10.00 C ATOM 607 CD GLU A 37 13.135 -1.515 9.115 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.039 -0.957 9.774 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.156 -2.686 8.680 1.00 10.00 O ATOM 0 H GLU A 37 10.577 -0.429 6.415 1.00 10.00 H new ATOM 0 HA GLU A 37 10.472 1.602 8.414 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.766 0.169 7.012 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.942 1.175 8.436 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.449 -0.331 9.726 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.157 -1.305 8.299 1.00 10.00 H new ATOM 616 N GLU A 38 11.534 2.494 5.438 1.00 10.00 N ATOM 617 CA GLU A 38 11.897 3.612 4.579 1.00 10.00 C ATOM 618 C GLU A 38 10.805 4.686 4.564 1.00 10.00 C ATOM 619 O GLU A 38 11.093 5.882 4.552 1.00 10.00 O ATOM 620 CB GLU A 38 12.143 3.081 3.164 1.00 10.00 C ATOM 621 CG GLU A 38 13.277 2.049 3.126 1.00 10.00 C ATOM 622 CD GLU A 38 13.827 1.891 1.713 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.134 1.243 0.900 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.918 2.447 1.465 1.00 10.00 O ATOM 0 H GLU A 38 11.430 1.615 4.932 1.00 10.00 H new ATOM 0 HA GLU A 38 12.802 4.079 4.967 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.228 2.628 2.783 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.387 3.912 2.502 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.077 2.358 3.799 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.911 1.088 3.487 1.00 10.00 H new ATOM 631 N HIS A 39 9.550 4.244 4.519 1.00 10.00 N ATOM 632 CA HIS A 39 8.368 5.075 4.397 1.00 10.00 C ATOM 633 C HIS A 39 8.356 6.157 5.483 1.00 10.00 C ATOM 634 O HIS A 39 8.239 5.825 6.664 1.00 10.00 O ATOM 635 CB HIS A 39 7.129 4.181 4.512 1.00 10.00 C ATOM 636 CG HIS A 39 5.832 4.935 4.592 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.957 4.905 5.652 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.279 5.705 3.605 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.895 5.645 5.299 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.040 6.159 4.061 1.00 10.00 N ATOM 0 H HIS A 39 9.326 3.250 4.569 1.00 10.00 H new ATOM 0 HA HIS A 39 8.369 5.578 3.430 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.096 3.513 3.652 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.228 3.554 5.398 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.090 4.415 6.536 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.722 5.923 2.644 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.032 5.808 5.928 1.00 10.00 H new ATOM 648 N PRO A 40 8.417 7.451 5.121 1.00 10.00 N ATOM 649 CA PRO A 40 8.409 8.539 6.086 1.00 10.00 C ATOM 650 C PRO A 40 6.977 8.790 6.580 1.00 10.00 C ATOM 651 O PRO A 40 6.408 9.862 6.387 1.00 10.00 O ATOM 652 CB PRO A 40 9.025 9.725 5.340 1.00 10.00 C ATOM 653 CG PRO A 40 8.566 9.491 3.904 1.00 10.00 C ATOM 654 CD PRO A 40 8.574 7.968 3.770 1.00 10.00 C ATOM 0 HA PRO A 40 8.981 8.332 6.990 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.668 10.678 5.729 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.112 9.735 5.421 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.573 9.904 3.728 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.239 9.961 3.186 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.764 7.628 3.124 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.505 7.619 3.324 1.00 10.00 H new ATOM 662 N GLY A 41 6.403 7.779 7.234 1.00 10.00 N ATOM 663 CA GLY A 41 5.086 7.823 7.841 1.00 10.00 C ATOM 664 C GLY A 41 4.840 6.584 8.700 1.00 10.00 C ATOM 665 O GLY A 41 3.703 6.139 8.822 1.00 10.00 O ATOM 0 H GLY A 41 6.865 6.878 7.356 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.993 8.720 8.454 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.325 7.888 7.064 1.00 10.00 H new ATOM 669 N GLY A 42 5.903 6.022 9.286 1.00 10.00 N ATOM 670 CA GLY A 42 5.833 4.824 10.110 1.00 10.00 C ATOM 671 C GLY A 42 5.720 3.547 9.272 1.00 10.00 C ATOM 672 O GLY A 42 5.199 3.568 8.154 1.00 10.00 O ATOM 0 H GLY A 42 6.847 6.397 9.196 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.722 4.766 10.739 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.974 4.895 10.778 1.00 10.00 H new ATOM 676 N GLU A 43 6.194 2.430 9.837 1.00 10.00 N ATOM 677 CA GLU A 43 6.039 1.101 9.266 1.00 10.00 C ATOM 678 C GLU A 43 4.682 0.520 9.684 1.00 10.00 C ATOM 679 O GLU A 43 3.931 0.013 8.847 1.00 10.00 O ATOM 680 CB GLU A 43 7.251 0.211 9.612 1.00 10.00 C ATOM 681 CG GLU A 43 7.798 0.232 11.048 1.00 10.00 C ATOM 682 CD GLU A 43 6.853 -0.418 12.037 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.669 -1.650 11.941 1.00 10.00 O ATOM 684 OE2 GLU A 43 6.252 0.367 12.802 1.00 10.00 O ATOM 0 H GLU A 43 6.704 2.432 10.720 1.00 10.00 H new ATOM 0 HA GLU A 43 6.030 1.152 8.177 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.983 -0.819 9.376 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.066 0.489 8.944 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.758 -0.283 11.075 1.00 10.00 H new ATOM 0 HG3 GLU A 43 7.981 1.264 11.349 1.00 10.00 H new ATOM 691 N ALA A 44 4.340 0.643 10.970 1.00 10.00 N ATOM 692 CA ALA A 44 3.137 0.085 11.559 1.00 10.00 C ATOM 693 C ALA A 44 1.905 0.454 10.748 1.00 10.00 C ATOM 694 O ALA A 44 1.080 -0.411 10.485 1.00 10.00 O ATOM 695 CB ALA A 44 2.989 0.559 13.007 1.00 10.00 C ATOM 0 H ALA A 44 4.915 1.150 11.643 1.00 10.00 H new ATOM 0 HA ALA A 44 3.227 -1.001 11.551 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.083 0.134 13.438 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.853 0.234 13.586 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.925 1.647 13.029 1.00 10.00 H new ATOM 701 N VAL A 45 1.776 1.717 10.330 1.00 10.00 N ATOM 702 CA VAL A 45 0.629 2.159 9.556 1.00 10.00 C ATOM 703 C VAL A 45 0.447 1.278 8.316 1.00 10.00 C ATOM 704 O VAL A 45 -0.641 0.758 8.068 1.00 10.00 O ATOM 705 CB VAL A 45 0.689 3.668 9.267 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.154 4.487 10.479 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.563 4.013 8.069 1.00 10.00 C ATOM 0 H VAL A 45 2.460 2.449 10.520 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.277 2.029 10.149 1.00 10.00 H new ATOM 0 HB VAL A 45 -0.340 3.940 9.033 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.177 5.545 10.216 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.463 4.334 11.308 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.152 4.165 10.774 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.564 5.092 7.918 1.00 10.00 H new ATOM 0 HG22 VAL A 45 2.582 3.672 8.252 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.170 3.522 7.179 1.00 10.00 H new ATOM 717 N LEU A 46 1.533 1.065 7.565 1.00 10.00 N ATOM 718 CA LEU A 46 1.512 0.227 6.382 1.00 10.00 C ATOM 719 C LEU A 46 1.188 -1.206 6.785 1.00 10.00 C ATOM 720 O LEU A 46 0.298 -1.813 6.202 1.00 10.00 O ATOM 721 CB LEU A 46 2.856 0.299 5.639 1.00 10.00 C ATOM 722 CG LEU A 46 3.012 1.557 4.771 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.477 1.739 4.363 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.186 1.429 3.489 1.00 10.00 C ATOM 0 H LEU A 46 2.446 1.472 7.768 1.00 10.00 H new ATOM 0 HA LEU A 46 0.741 0.587 5.701 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.666 0.267 6.367 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.960 -0.583 5.008 1.00 10.00 H new ATOM 0 HG LEU A 46 2.669 2.409 5.357 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.575 2.634 3.748 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.093 1.843 5.256 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.807 0.870 3.794 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.308 2.329 2.886 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.527 0.563 2.922 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.134 1.304 3.745 1.00 10.00 H new ATOM 736 N ARG A 47 1.892 -1.751 7.780 1.00 10.00 N ATOM 737 CA ARG A 47 1.761 -3.162 8.133 1.00 10.00 C ATOM 738 C ARG A 47 0.371 -3.471 8.700 1.00 10.00 C ATOM 739 O ARG A 47 -0.114 -4.594 8.586 1.00 10.00 O ATOM 740 CB ARG A 47 2.893 -3.588 9.086 1.00 10.00 C ATOM 741 CG ARG A 47 3.755 -4.695 8.461 1.00 10.00 C ATOM 742 CD ARG A 47 3.033 -6.051 8.435 1.00 10.00 C ATOM 743 NE ARG A 47 3.007 -6.654 9.777 1.00 10.00 N ATOM 744 CZ ARG A 47 2.129 -7.565 10.231 1.00 10.00 C ATOM 745 NH1 ARG A 47 1.108 -7.980 9.475 1.00 10.00 N ATOM 746 NH2 ARG A 47 2.293 -8.075 11.458 1.00 10.00 N ATOM 0 H ARG A 47 2.558 -1.234 8.354 1.00 10.00 H new ATOM 0 HA ARG A 47 1.861 -3.756 7.224 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.517 -2.726 9.322 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.468 -3.941 10.026 1.00 10.00 H new ATOM 0 HG2 ARG A 47 4.026 -4.411 7.444 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.684 -4.791 9.024 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.014 -5.919 8.071 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.536 -6.723 7.739 1.00 10.00 H new ATOM 0 HE ARG A 47 3.729 -6.349 10.430 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.984 -7.605 8.535 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.453 -8.672 9.838 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.077 -7.771 12.036 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.634 -8.767 11.815 1.00 10.00 H new ATOM 760 N ALA A 48 -0.258 -2.470 9.313 1.00 10.00 N ATOM 761 CA ALA A 48 -1.592 -2.532 9.875 1.00 10.00 C ATOM 762 C ALA A 48 -2.639 -2.474 8.764 1.00 10.00 C ATOM 763 O ALA A 48 -3.508 -3.338 8.698 1.00 10.00 O ATOM 764 CB ALA A 48 -1.756 -1.366 10.850 1.00 10.00 C ATOM 0 H ALA A 48 0.175 -1.554 9.433 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.735 -3.472 10.407 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.755 -1.394 11.285 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.012 -1.447 11.643 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.618 -0.425 10.318 1.00 10.00 H new ATOM 770 N GLN A 49 -2.572 -1.452 7.902 1.00 10.00 N ATOM 771 CA GLN A 49 -3.535 -1.283 6.822 1.00 10.00 C ATOM 772 C GLN A 49 -3.274 -2.229 5.644 1.00 10.00 C ATOM 773 O GLN A 49 -4.101 -2.333 4.735 1.00 10.00 O ATOM 774 CB GLN A 49 -3.523 0.181 6.372 1.00 10.00 C ATOM 775 CG GLN A 49 -4.479 1.058 7.186 1.00 10.00 C ATOM 776 CD GLN A 49 -5.946 0.823 6.822 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.307 -0.216 6.283 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.807 1.795 7.099 1.00 10.00 N ATOM 0 H GLN A 49 -1.854 -0.729 7.938 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.523 -1.545 7.200 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.511 0.576 6.460 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.796 0.235 5.318 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.335 0.858 8.248 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.232 2.107 7.023 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.482 2.651 7.548 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.793 1.686 6.862 1.00 10.00 H new ATOM 787 N ALA A 50 -2.124 -2.905 5.642 1.00 10.00 N ATOM 788 CA ALA A 50 -1.816 -3.969 4.706 1.00 10.00 C ATOM 789 C ALA A 50 -3.012 -4.911 4.569 1.00 10.00 C ATOM 790 O ALA A 50 -3.540 -5.382 5.574 1.00 10.00 O ATOM 791 CB ALA A 50 -0.625 -4.780 5.221 1.00 10.00 C ATOM 0 H ALA A 50 -1.372 -2.719 6.306 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.582 -3.522 3.740 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.396 -5.579 4.515 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.242 -4.128 5.324 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.871 -5.212 6.191 1.00 10.00 H new ATOM 797 N GLY A 51 -3.425 -5.200 3.337 1.00 10.00 N ATOM 798 CA GLY A 51 -4.478 -6.162 3.072 1.00 10.00 C ATOM 799 C GLY A 51 -5.438 -5.677 1.993 1.00 10.00 C ATOM 800 O GLY A 51 -5.922 -6.485 1.207 1.00 10.00 O ATOM 0 H GLY A 51 -3.035 -4.771 2.498 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.035 -7.109 2.763 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.033 -6.354 3.990 1.00 10.00 H new ATOM 804 N GLY A 52 -5.698 -4.365 1.928 1.00 10.00 N ATOM 805 CA GLY A 52 -6.459 -3.784 0.825 1.00 10.00 C ATOM 806 C GLY A 52 -7.678 -2.970 1.249 1.00 10.00 C ATOM 807 O GLY A 52 -8.761 -3.178 0.714 1.00 10.00 O ATOM 0 H GLY A 52 -5.391 -3.690 2.628 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.797 -3.144 0.242 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.787 -4.587 0.165 1.00 10.00 H new ATOM 811 N ASP A 53 -7.486 -1.980 2.126 1.00 10.00 N ATOM 812 CA ASP A 53 -8.408 -0.852 2.244 1.00 10.00 C ATOM 813 C ASP A 53 -7.677 0.321 2.892 1.00 10.00 C ATOM 814 O ASP A 53 -7.954 0.697 4.029 1.00 10.00 O ATOM 815 CB ASP A 53 -9.684 -1.213 3.019 1.00 10.00 C ATOM 816 CG ASP A 53 -10.640 -0.022 3.081 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.450 0.917 2.272 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.555 -0.077 3.930 1.00 10.00 O ATOM 0 H ASP A 53 -6.694 -1.940 2.768 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.737 -0.571 1.244 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.179 -2.057 2.539 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.424 -1.528 4.029 1.00 10.00 H new ATOM 823 N ALA A 54 -6.698 0.882 2.176 1.00 10.00 N ATOM 824 CA ALA A 54 -5.902 1.978 2.703 1.00 10.00 C ATOM 825 C ALA A 54 -6.114 3.246 1.893 1.00 10.00 C ATOM 826 O ALA A 54 -5.407 4.221 2.121 1.00 10.00 O ATOM 827 CB ALA A 54 -4.428 1.587 2.704 1.00 10.00 C ATOM 0 H ALA A 54 -6.443 0.591 1.232 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.221 2.179 3.726 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.833 2.410 3.100 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.286 0.705 3.328 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.109 1.366 1.685 1.00 10.00 H new ATOM 833 N THR A 55 -7.058 3.261 0.948 1.00 10.00 N ATOM 834 CA THR A 55 -7.284 4.433 0.117 1.00 10.00 C ATOM 835 C THR A 55 -7.670 5.613 1.012 1.00 10.00 C ATOM 836 O THR A 55 -7.019 6.658 0.995 1.00 10.00 O ATOM 837 CB THR A 55 -8.343 4.107 -0.947 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.917 3.014 -1.744 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.563 5.304 -1.874 1.00 10.00 C ATOM 0 H THR A 55 -7.674 2.474 0.744 1.00 10.00 H new ATOM 0 HA THR A 55 -6.378 4.718 -0.417 1.00 10.00 H new ATOM 0 HB THR A 55 -9.269 3.862 -0.427 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.287 2.463 -1.234 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.317 5.053 -2.620 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.902 6.159 -1.290 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.627 5.554 -2.373 1.00 10.00 H new ATOM 847 N ALA A 56 -8.699 5.418 1.841 1.00 10.00 N ATOM 848 CA ALA A 56 -9.154 6.435 2.774 1.00 10.00 C ATOM 849 C ALA A 56 -8.009 6.870 3.684 1.00 10.00 C ATOM 850 O ALA A 56 -7.783 8.059 3.866 1.00 10.00 O ATOM 851 CB ALA A 56 -10.333 5.897 3.591 1.00 10.00 C ATOM 0 H ALA A 56 -9.235 4.551 1.879 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.490 7.310 2.217 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.671 6.663 4.289 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.150 5.632 2.920 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.018 5.013 4.146 1.00 10.00 H new ATOM 857 N ASN A 57 -7.276 5.908 4.246 1.00 10.00 N ATOM 858 CA ASN A 57 -6.185 6.179 5.172 1.00 10.00 C ATOM 859 C ASN A 57 -5.104 7.036 4.507 1.00 10.00 C ATOM 860 O ASN A 57 -4.667 8.038 5.071 1.00 10.00 O ATOM 861 CB ASN A 57 -5.601 4.856 5.684 1.00 10.00 C ATOM 862 CG ASN A 57 -5.096 4.969 7.118 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.446 4.140 7.954 1.00 10.00 O ATOM 864 ND2 ASN A 57 -4.290 5.981 7.431 1.00 10.00 N ATOM 0 H ASN A 57 -7.426 4.915 4.068 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.574 6.742 6.020 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.363 4.078 5.629 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.782 4.547 5.035 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -3.947 6.083 8.386 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.016 6.655 6.716 1.00 10.00 H new ATOM 871 N PHE A 58 -4.668 6.610 3.319 1.00 10.00 N ATOM 872 CA PHE A 58 -3.684 7.282 2.480 1.00 10.00 C ATOM 873 C PHE A 58 -4.091 8.728 2.190 1.00 10.00 C ATOM 874 O PHE A 58 -3.283 9.648 2.350 1.00 10.00 O ATOM 875 CB PHE A 58 -3.533 6.484 1.179 1.00 10.00 C ATOM 876 CG PHE A 58 -2.495 7.012 0.211 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.183 6.508 0.263 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.873 7.861 -0.845 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.245 6.871 -0.718 1.00 10.00 C ATOM 880 CE2 PHE A 58 -1.944 8.183 -1.850 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.628 7.700 -1.782 1.00 10.00 C ATOM 0 H PHE A 58 -5.010 5.745 2.900 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.729 7.323 3.004 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.280 5.454 1.431 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.498 6.460 0.673 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.895 5.839 1.061 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -3.874 8.264 -0.884 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.771 6.511 -0.653 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.245 8.806 -2.679 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.087 7.966 -2.546 1.00 10.00 H new ATOM 891 N GLU A 59 -5.335 8.928 1.750 1.00 10.00 N ATOM 892 CA GLU A 59 -5.850 10.252 1.441 1.00 10.00 C ATOM 893 C GLU A 59 -6.002 11.100 2.703 1.00 10.00 C ATOM 894 O GLU A 59 -5.676 12.283 2.694 1.00 10.00 O ATOM 895 CB GLU A 59 -7.176 10.123 0.691 1.00 10.00 C ATOM 896 CG GLU A 59 -6.973 9.505 -0.697 1.00 10.00 C ATOM 897 CD GLU A 59 -6.303 10.478 -1.658 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.035 11.232 -2.327 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.052 10.473 -1.722 1.00 10.00 O ATOM 0 H GLU A 59 -6.007 8.176 1.600 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.134 10.767 0.800 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.865 9.506 1.269 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.636 11.106 0.590 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.365 8.605 -0.608 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.937 9.199 -1.103 1.00 10.00 H new ATOM 906 N ALA A 60 -6.501 10.496 3.784 1.00 10.00 N ATOM 907 CA ALA A 60 -6.730 11.165 5.055 1.00 10.00 C ATOM 908 C ALA A 60 -5.441 11.801 5.565 1.00 10.00 C ATOM 909 O ALA A 60 -5.440 12.972 5.938 1.00 10.00 O ATOM 910 CB ALA A 60 -7.304 10.176 6.075 1.00 10.00 C ATOM 0 H ALA A 60 -6.760 9.510 3.795 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.458 11.963 4.909 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.472 10.687 7.023 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.249 9.779 5.705 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.600 9.357 6.224 1.00 10.00 H new ATOM 916 N VAL A 61 -4.344 11.038 5.583 1.00 10.00 N ATOM 917 CA VAL A 61 -3.051 11.603 5.955 1.00 10.00 C ATOM 918 C VAL A 61 -2.542 12.544 4.857 1.00 10.00 C ATOM 919 O VAL A 61 -1.973 13.592 5.156 1.00 10.00 O ATOM 920 CB VAL A 61 -2.040 10.508 6.328 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.583 9.647 7.475 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.653 9.624 5.143 1.00 10.00 C ATOM 0 H VAL A 61 -4.327 10.046 5.348 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.180 12.204 6.855 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.133 11.019 6.651 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.855 8.876 7.727 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.764 10.275 8.347 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.517 9.177 7.167 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.937 8.870 5.470 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.543 9.133 4.750 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -1.203 10.238 4.363 1.00 10.00 H new ATOM 932 N GLY A 62 -2.768 12.185 3.589 1.00 10.00 N ATOM 933 CA GLY A 62 -2.357 12.989 2.453 1.00 10.00 C ATOM 934 C GLY A 62 -0.964 12.572 1.990 1.00 10.00 C ATOM 935 O GLY A 62 -0.164 12.065 2.773 1.00 10.00 O ATOM 0 H GLY A 62 -3.245 11.321 3.329 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.070 12.871 1.637 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.357 14.044 2.726 1.00 10.00 H new ATOM 939 N HIS A 63 -0.704 12.750 0.694 1.00 10.00 N ATOM 940 CA HIS A 63 0.482 12.258 0.013 1.00 10.00 C ATOM 941 C HIS A 63 0.757 13.184 -1.175 1.00 10.00 C ATOM 942 O HIS A 63 -0.137 13.374 -2.008 1.00 10.00 O ATOM 943 CB HIS A 63 0.236 10.807 -0.427 1.00 10.00 C ATOM 944 CG HIS A 63 0.418 9.807 0.691 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.537 9.348 1.574 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.605 9.224 1.036 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.079 8.501 2.421 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.386 8.380 2.129 1.00 10.00 N ATOM 0 H HIS A 63 -1.336 13.257 0.075 1.00 10.00 H new ATOM 0 HA HIS A 63 1.356 12.259 0.664 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.776 10.721 -0.822 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.918 10.560 -1.241 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.525 9.602 1.584 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.554 9.388 0.546 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.414 7.985 3.231 1.00 10.00 H new ATOM 956 N SER A 64 1.949 13.790 -1.215 1.00 10.00 N ATOM 957 CA SER A 64 2.345 14.812 -2.181 1.00 10.00 C ATOM 958 C SER A 64 2.752 14.183 -3.514 1.00 10.00 C ATOM 959 O SER A 64 2.892 12.970 -3.616 1.00 10.00 O ATOM 960 CB SER A 64 3.502 15.642 -1.609 1.00 10.00 C ATOM 961 OG SER A 64 3.709 16.792 -2.413 1.00 10.00 O ATOM 0 H SER A 64 2.690 13.571 -0.549 1.00 10.00 H new ATOM 0 HA SER A 64 1.490 15.462 -2.366 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.278 15.938 -0.584 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.411 15.042 -1.575 1.00 10.00 H new ATOM 0 HG SER A 64 4.447 17.321 -2.044 1.00 10.00 H new ATOM 967 N THR A 65 2.962 15.004 -4.545 1.00 10.00 N ATOM 968 CA THR A 65 3.202 14.569 -5.916 1.00 10.00 C ATOM 969 C THR A 65 4.338 13.550 -5.986 1.00 10.00 C ATOM 970 O THR A 65 4.211 12.522 -6.643 1.00 10.00 O ATOM 971 CB THR A 65 3.517 15.790 -6.786 1.00 10.00 C ATOM 972 OG1 THR A 65 2.719 16.880 -6.363 1.00 10.00 O ATOM 973 CG2 THR A 65 3.254 15.501 -8.268 1.00 10.00 C ATOM 0 H THR A 65 2.969 16.019 -4.442 1.00 10.00 H new ATOM 0 HA THR A 65 2.303 14.078 -6.290 1.00 10.00 H new ATOM 0 HB THR A 65 4.574 16.032 -6.673 1.00 10.00 H new ATOM 0 HG1 THR A 65 2.918 17.665 -6.915 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.487 16.387 -8.858 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.882 14.672 -8.594 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.205 15.238 -8.407 1.00 10.00 H new ATOM 981 N ASP A 66 5.436 13.832 -5.280 1.00 10.00 N ATOM 982 CA ASP A 66 6.552 12.910 -5.131 1.00 10.00 C ATOM 983 C ASP A 66 6.041 11.534 -4.744 1.00 10.00 C ATOM 984 O ASP A 66 6.292 10.555 -5.430 1.00 10.00 O ATOM 985 CB ASP A 66 7.461 13.425 -4.018 1.00 10.00 C ATOM 986 CG ASP A 66 8.706 12.558 -3.906 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.617 11.541 -3.186 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.709 12.925 -4.552 1.00 10.00 O ATOM 0 H ASP A 66 5.571 14.718 -4.793 1.00 10.00 H new ATOM 0 HA ASP A 66 7.095 12.841 -6.074 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.746 14.457 -4.221 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.923 13.424 -3.070 1.00 10.00 H new ATOM 993 N ALA A 67 5.255 11.484 -3.675 1.00 10.00 N ATOM 994 CA ALA A 67 4.643 10.249 -3.205 1.00 10.00 C ATOM 995 C ALA A 67 3.716 9.648 -4.268 1.00 10.00 C ATOM 996 O ALA A 67 3.753 8.440 -4.513 1.00 10.00 O ATOM 997 CB ALA A 67 3.907 10.474 -1.885 1.00 10.00 C ATOM 0 H ALA A 67 5.024 12.301 -3.109 1.00 10.00 H new ATOM 0 HA ALA A 67 5.440 9.528 -3.023 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.458 9.537 -1.554 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.611 10.825 -1.131 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.125 11.220 -2.027 1.00 10.00 H new ATOM 1003 N ARG A 68 2.888 10.483 -4.906 1.00 10.00 N ATOM 1004 CA ARG A 68 1.969 10.077 -5.965 1.00 10.00 C ATOM 1005 C ARG A 68 2.728 9.451 -7.140 1.00 10.00 C ATOM 1006 O ARG A 68 2.171 8.614 -7.844 1.00 10.00 O ATOM 1007 CB ARG A 68 1.141 11.264 -6.481 1.00 10.00 C ATOM 1008 CG ARG A 68 0.324 11.993 -5.407 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.949 11.251 -5.009 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.560 11.906 -3.843 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.731 11.574 -3.283 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.531 10.658 -3.832 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.103 12.141 -2.140 1.00 10.00 N ATOM 0 H ARG A 68 2.840 11.479 -4.693 1.00 10.00 H new ATOM 0 HA ARG A 68 1.295 9.338 -5.531 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.813 11.980 -6.954 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.461 10.906 -7.254 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.945 12.135 -4.522 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.059 12.985 -5.773 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.651 11.241 -5.842 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.718 10.212 -4.775 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.047 12.681 -3.423 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -3.256 10.193 -4.697 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.418 10.422 -3.386 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -2.497 12.828 -1.691 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.994 11.889 -1.712 1.00 10.00 H new ATOM 1027 N GLU A 69 3.983 9.852 -7.357 1.00 10.00 N ATOM 1028 CA GLU A 69 4.844 9.297 -8.384 1.00 10.00 C ATOM 1029 C GLU A 69 5.530 8.036 -7.866 1.00 10.00 C ATOM 1030 O GLU A 69 5.404 6.969 -8.457 1.00 10.00 O ATOM 1031 CB GLU A 69 5.816 10.394 -8.822 1.00 10.00 C ATOM 1032 CG GLU A 69 5.169 11.232 -9.932 1.00 10.00 C ATOM 1033 CD GLU A 69 5.085 10.468 -11.253 1.00 10.00 C ATOM 1034 OE1 GLU A 69 6.141 10.356 -11.911 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.975 9.983 -11.571 1.00 10.00 O ATOM 0 H GLU A 69 4.430 10.586 -6.809 1.00 10.00 H new ATOM 0 HA GLU A 69 4.278 8.982 -9.261 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.072 11.029 -7.974 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.745 9.951 -9.180 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.168 11.532 -9.623 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.745 12.146 -10.078 1.00 10.00 H new ATOM 1042 N LEU A 70 6.216 8.149 -6.732 1.00 10.00 N ATOM 1043 CA LEU A 70 6.923 7.087 -6.040 1.00 10.00 C ATOM 1044 C LEU A 70 6.045 5.836 -5.968 1.00 10.00 C ATOM 1045 O LEU A 70 6.418 4.772 -6.450 1.00 10.00 O ATOM 1046 CB LEU A 70 7.368 7.633 -4.672 1.00 10.00 C ATOM 1047 CG LEU A 70 8.269 6.782 -3.766 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.823 5.549 -4.456 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.397 7.625 -3.164 1.00 10.00 C ATOM 0 H LEU A 70 6.295 9.042 -6.245 1.00 10.00 H new ATOM 0 HA LEU A 70 7.820 6.774 -6.574 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.885 8.576 -4.851 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.466 7.866 -4.106 1.00 10.00 H new ATOM 0 HG LEU A 70 7.632 6.420 -2.959 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.451 4.993 -3.759 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.999 4.916 -4.786 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.417 5.851 -5.318 1.00 10.00 H new ATOM 0 HD21 LEU A 70 10.020 6.997 -2.527 1.00 10.00 H new ATOM 0 HD22 LEU A 70 10.005 8.045 -3.965 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.970 8.434 -2.571 1.00 10.00 H new ATOM 1061 N SER A 71 4.845 5.978 -5.412 1.00 10.00 N ATOM 1062 CA SER A 71 3.806 4.953 -5.427 1.00 10.00 C ATOM 1063 C SER A 71 3.734 4.186 -6.756 1.00 10.00 C ATOM 1064 O SER A 71 3.704 2.958 -6.743 1.00 10.00 O ATOM 1065 CB SER A 71 2.470 5.578 -5.025 1.00 10.00 C ATOM 1066 OG SER A 71 2.143 6.659 -5.858 1.00 10.00 O ATOM 0 H SER A 71 4.562 6.829 -4.927 1.00 10.00 H new ATOM 0 HA SER A 71 4.066 4.192 -4.691 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.683 4.825 -5.077 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.521 5.916 -3.990 1.00 10.00 H new ATOM 0 HG SER A 71 2.533 7.481 -5.495 1.00 10.00 H new ATOM 1072 N LYS A 72 3.757 4.868 -7.906 1.00 10.00 N ATOM 1073 CA LYS A 72 3.717 4.204 -9.204 1.00 10.00 C ATOM 1074 C LYS A 72 4.844 3.172 -9.345 1.00 10.00 C ATOM 1075 O LYS A 72 4.627 2.090 -9.877 1.00 10.00 O ATOM 1076 CB LYS A 72 3.721 5.204 -10.369 1.00 10.00 C ATOM 1077 CG LYS A 72 2.590 6.236 -10.219 1.00 10.00 C ATOM 1078 CD LYS A 72 2.448 7.191 -11.415 1.00 10.00 C ATOM 1079 CE LYS A 72 1.520 6.670 -12.522 1.00 10.00 C ATOM 1080 NZ LYS A 72 2.020 5.429 -13.141 1.00 10.00 N ATOM 0 H LYS A 72 3.803 5.886 -7.959 1.00 10.00 H new ATOM 0 HA LYS A 72 2.770 3.666 -9.253 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.682 5.717 -10.409 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.606 4.669 -11.312 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.647 5.708 -10.076 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.766 6.823 -9.318 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.070 8.149 -11.059 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.435 7.375 -11.839 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.529 6.491 -12.106 1.00 10.00 H new ATOM 0 HE3 LYS A 72 1.410 7.436 -13.290 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.549 5.284 -14.057 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.047 5.504 -13.288 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.818 4.623 -12.516 1.00 10.00 H new ATOM 1094 N THR A 73 6.034 3.465 -8.823 1.00 10.00 N ATOM 1095 CA THR A 73 7.184 2.569 -8.844 1.00 10.00 C ATOM 1096 C THR A 73 6.952 1.300 -8.012 1.00 10.00 C ATOM 1097 O THR A 73 7.683 0.327 -8.179 1.00 10.00 O ATOM 1098 CB THR A 73 8.431 3.348 -8.388 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.549 4.520 -9.172 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.734 2.549 -8.492 1.00 10.00 C ATOM 0 H THR A 73 6.228 4.355 -8.363 1.00 10.00 H new ATOM 0 HA THR A 73 7.339 2.217 -9.864 1.00 10.00 H new ATOM 0 HB THR A 73 8.289 3.577 -7.332 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.340 5.025 -8.889 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.567 3.165 -8.153 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.665 1.658 -7.869 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.899 2.255 -9.529 1.00 10.00 H new ATOM 1108 N PHE A 74 5.934 1.287 -7.146 1.00 10.00 N ATOM 1109 CA PHE A 74 5.562 0.129 -6.346 1.00 10.00 C ATOM 1110 C PHE A 74 4.255 -0.472 -6.858 1.00 10.00 C ATOM 1111 O PHE A 74 3.764 -1.442 -6.278 1.00 10.00 O ATOM 1112 CB PHE A 74 5.420 0.546 -4.877 1.00 10.00 C ATOM 1113 CG PHE A 74 6.726 0.904 -4.197 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.694 -0.097 -3.994 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.945 2.201 -3.693 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.881 0.196 -3.305 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.110 2.479 -2.957 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.092 1.487 -2.794 1.00 10.00 C ATOM 0 H PHE A 74 5.338 2.099 -6.983 1.00 10.00 H new ATOM 0 HA PHE A 74 6.341 -0.629 -6.428 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.748 1.402 -4.819 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.949 -0.267 -4.325 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.523 -1.095 -4.370 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.219 2.980 -3.872 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.630 -0.570 -3.168 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.250 3.455 -2.517 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.010 1.718 -2.275 1.00 10.00 H new ATOM 1128 N ILE A 75 3.667 0.107 -7.911 1.00 10.00 N ATOM 1129 CA ILE A 75 2.408 -0.386 -8.440 1.00 10.00 C ATOM 1130 C ILE A 75 2.664 -1.734 -9.115 1.00 10.00 C ATOM 1131 O ILE A 75 3.579 -1.855 -9.928 1.00 10.00 O ATOM 1132 CB ILE A 75 1.768 0.680 -9.355 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.257 0.812 -9.131 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.091 0.508 -10.848 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.538 -0.323 -9.750 1.00 10.00 C ATOM 0 H ILE A 75 4.047 0.914 -8.406 1.00 10.00 H new ATOM 0 HA ILE A 75 1.677 -0.561 -7.650 1.00 10.00 H new ATOM 0 HB ILE A 75 2.239 1.615 -9.052 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.056 0.847 -8.060 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.085 1.758 -9.550 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.603 1.298 -11.419 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.169 0.567 -10.996 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.730 -0.462 -11.189 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.600 -0.171 -9.556 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.365 -0.344 -10.826 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.221 -1.270 -9.313 1.00 10.00 H new ATOM 1147 N ILE A 76 1.872 -2.750 -8.769 1.00 10.00 N ATOM 1148 CA ILE A 76 2.007 -4.093 -9.331 1.00 10.00 C ATOM 1149 C ILE A 76 0.854 -4.416 -10.280 1.00 10.00 C ATOM 1150 O ILE A 76 1.035 -5.135 -11.261 1.00 10.00 O ATOM 1151 CB ILE A 76 2.136 -5.129 -8.204 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.085 -4.896 -7.104 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.563 -5.062 -7.641 1.00 10.00 C ATOM 1154 CD1 ILE A 76 0.942 -6.090 -6.170 1.00 10.00 C ATOM 0 H ILE A 76 1.117 -2.663 -8.089 1.00 10.00 H new ATOM 0 HA ILE A 76 2.920 -4.132 -9.925 1.00 10.00 H new ATOM 0 HB ILE A 76 1.950 -6.126 -8.603 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.361 -4.016 -6.523 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.121 -4.683 -7.566 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.672 -5.792 -6.839 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.278 -5.284 -8.434 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.753 -4.062 -7.250 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.188 -5.872 -5.414 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.638 -6.966 -6.743 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.897 -6.288 -5.684 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.338 -3.892 -10.000 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.526 -4.163 -10.776 1.00 10.00 C ATOM 1168 C GLY A 77 -2.680 -3.436 -10.123 1.00 10.00 C ATOM 1169 O GLY A 77 -2.467 -2.539 -9.314 1.00 10.00 O ATOM 0 H GLY A 77 -0.498 -3.260 -9.215 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.395 -3.827 -11.805 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.722 -5.235 -10.813 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.896 -3.814 -10.488 1.00 10.00 N ATOM 1174 CA GLU A 78 -5.103 -3.079 -10.182 1.00 10.00 C ATOM 1175 C GLU A 78 -6.125 -4.003 -9.530 1.00 10.00 C ATOM 1176 O GLU A 78 -5.962 -5.225 -9.499 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.609 -2.442 -11.481 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.848 -1.149 -11.791 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.186 -0.572 -13.160 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.094 -1.111 -13.826 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.521 0.430 -13.507 1.00 10.00 O ATOM 0 H GLU A 78 -4.070 -4.666 -11.021 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.914 -2.282 -9.462 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.490 -3.145 -12.305 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.675 -2.229 -11.395 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.075 -0.408 -11.025 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.777 -1.343 -11.739 1.00 10.00 H new ATOM 1188 N LEU A 79 -7.172 -3.400 -8.975 1.00 10.00 N ATOM 1189 CA LEU A 79 -8.203 -4.126 -8.275 1.00 10.00 C ATOM 1190 C LEU A 79 -9.010 -4.950 -9.267 1.00 10.00 C ATOM 1191 O LEU A 79 -9.482 -4.419 -10.276 1.00 10.00 O ATOM 1192 CB LEU A 79 -9.105 -3.133 -7.550 1.00 10.00 C ATOM 1193 CG LEU A 79 -10.134 -3.874 -6.693 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.435 -4.654 -5.580 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.112 -2.863 -6.120 1.00 10.00 C ATOM 0 H LEU A 79 -7.321 -2.391 -9.003 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.755 -4.801 -7.546 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.503 -2.477 -6.921 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.615 -2.499 -8.275 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.679 -4.592 -7.306 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.179 -5.176 -4.979 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.750 -5.379 -6.019 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.877 -3.964 -4.947 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.851 -3.379 -5.507 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.572 -2.141 -5.507 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.616 -2.342 -6.934 1.00 10.00 H new ATOM 1207 N HIS A 80 -9.190 -6.232 -8.964 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.928 -7.164 -9.801 1.00 10.00 C ATOM 1209 C HIS A 80 -11.285 -6.597 -10.242 1.00 10.00 C ATOM 1210 O HIS A 80 -11.982 -5.949 -9.454 1.00 10.00 O ATOM 1211 CB HIS A 80 -10.057 -8.495 -9.059 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.310 -9.686 -9.940 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.496 -10.365 -10.064 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.371 -10.352 -10.682 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.288 -11.397 -10.897 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -10.009 -11.426 -11.307 1.00 10.00 N ATOM 0 H HIS A 80 -8.819 -6.657 -8.114 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.377 -7.331 -10.726 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -9.143 -8.668 -8.491 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.870 -8.415 -8.337 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.326 -10.093 -10.768 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -12.045 -12.107 -11.196 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.587 -12.099 -11.947 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.686 -6.826 -11.502 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.978 -6.390 -12.004 1.00 10.00 C ATOM 1226 C PRO A 81 -14.160 -7.056 -11.294 1.00 10.00 C ATOM 1227 O PRO A 81 -15.283 -6.598 -11.480 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.959 -6.660 -13.511 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.929 -7.778 -13.661 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.920 -7.462 -12.565 1.00 10.00 C ATOM 0 HA PRO A 81 -13.129 -5.330 -11.800 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.939 -6.966 -13.876 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.672 -5.772 -14.074 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.378 -8.762 -13.525 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.468 -7.772 -14.649 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.432 -8.369 -12.208 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.135 -6.801 -12.933 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.918 -8.092 -10.480 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.965 -8.771 -9.716 1.00 10.00 C ATOM 1240 C ASP A 82 -15.068 -8.236 -8.280 1.00 10.00 C ATOM 1241 O ASP A 82 -16.004 -8.578 -7.565 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.687 -10.283 -9.712 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.948 -11.112 -9.503 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.883 -10.938 -10.313 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.917 -11.961 -8.587 1.00 10.00 O ATOM 0 H ASP A 82 -12.987 -8.482 -10.335 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.923 -8.573 -10.196 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -14.224 -10.566 -10.657 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.970 -10.514 -8.924 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.076 -7.454 -7.829 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.934 -7.068 -6.433 1.00 10.00 C ATOM 1252 C ASP A 83 -14.690 -5.761 -6.160 1.00 10.00 C ATOM 1253 O ASP A 83 -15.440 -5.678 -5.187 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.429 -7.059 -6.154 1.00 10.00 C ATOM 1255 CG ASP A 83 -11.965 -6.435 -4.867 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.615 -5.522 -4.325 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -10.875 -6.898 -4.486 1.00 10.00 O ATOM 0 H ASP A 83 -13.349 -7.073 -8.434 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.395 -7.763 -5.731 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.077 -8.090 -6.174 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.938 -6.539 -6.976 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.524 -4.766 -7.040 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.250 -3.503 -6.927 1.00 10.00 C ATOM 1264 C ARG A 84 -16.770 -3.683 -6.997 1.00 10.00 C ATOM 1265 O ARG A 84 -17.209 -4.616 -7.705 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.787 -2.478 -7.974 1.00 10.00 C ATOM 1267 CG ARG A 84 -15.317 -2.670 -9.402 1.00 10.00 C ATOM 1268 CD ARG A 84 -14.590 -3.787 -10.154 1.00 10.00 C ATOM 1269 NE ARG A 84 -13.135 -3.551 -10.246 1.00 10.00 N ATOM 1270 CZ ARG A 84 -12.563 -2.677 -11.092 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -13.337 -1.879 -11.837 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -11.235 -2.610 -11.219 1.00 10.00 N ATOM 0 H ARG A 84 -13.891 -4.815 -7.838 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.011 -3.115 -5.937 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.080 -1.485 -7.632 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.698 -2.495 -8.009 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -16.382 -2.897 -9.363 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.210 -1.736 -9.954 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.770 -4.737 -9.650 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -15.005 -3.875 -11.158 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.525 -4.086 -9.628 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -14.352 -1.937 -11.760 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -12.911 -1.213 -12.482 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.638 -3.228 -10.669 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.818 -1.941 -11.866 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.770 7.290 3.040 1.00 10.00 FE HETATM 1288 CHA HEM A 201 3.884 10.210 4.551 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.024 7.780 0.414 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.487 4.491 1.433 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.606 6.740 5.737 1.00 10.00 C HETATM 1292 NA HEM A 201 4.207 8.721 2.575 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.440 9.843 3.318 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.378 10.657 2.581 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.768 9.947 1.468 1.00 10.00 C HETATM 1296 C4A HEM A 201 4.989 8.729 1.443 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.786 10.410 0.448 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.794 12.066 2.941 1.00 10.00 C HETATM 1299 CBA HEM A 201 4.684 13.104 2.712 1.00 10.00 C HETATM 1300 CGA HEM A 201 4.527 13.480 1.242 1.00 10.00 C HETATM 1301 O1A HEM A 201 3.782 12.770 0.533 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.138 14.494 0.844 1.00 10.00 O HETATM 1303 NB HEM A 201 3.197 6.304 1.274 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.161 6.683 0.358 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.128 5.735 -0.734 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.114 4.856 -0.442 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.538 5.188 0.834 1.00 10.00 C HETATM 1308 CMB HEM A 201 5.047 5.705 -1.935 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.611 3.757 -1.351 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.753 4.001 -2.357 1.00 10.00 C HETATM 1311 NC HEM A 201 1.309 5.875 3.498 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.944 4.832 2.676 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.150 4.139 3.321 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.361 4.773 4.517 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.556 5.871 4.645 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.966 2.989 2.791 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.533 4.509 5.436 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.531 3.429 6.247 1.00 10.00 C HETATM 1319 ND HEM A 201 2.333 8.293 4.842 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.452 7.854 5.795 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.565 8.750 6.922 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.457 9.738 6.577 1.00 10.00 C HETATM 1323 C4D HEM A 201 2.942 9.445 5.246 1.00 10.00 C HETATM 1324 CMD HEM A 201 0.932 8.604 8.287 1.00 10.00 C HETATM 1325 CAD HEM A 201 2.942 10.815 7.519 1.00 10.00 C HETATM 1326 CBD HEM A 201 1.963 11.965 7.717 1.00 10.00 C HETATM 1327 CGD HEM A 201 1.999 12.460 9.156 1.00 10.00 C HETATM 1328 O1D HEM A 201 1.234 11.891 9.965 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.813 13.368 9.427 1.00 10.00 O HETATM 0 HMA1 HEM A 201 6.805 11.500 0.422 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.515 10.028 -0.536 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.772 10.036 0.723 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.373 6.718 -2.169 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.515 5.289 -2.790 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.916 5.086 -1.713 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.307 2.372 3.622 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.353 2.387 2.120 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.828 3.375 2.247 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 -0.010 8.062 8.195 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.743 9.592 8.708 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.605 8.053 8.943 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.412 3.184 -2.992 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.399 5.016 -2.537 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.377 3.242 6.908 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.683 2.744 6.241 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.905 14.001 3.291 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 3.739 12.709 3.085 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.668 12.342 2.350 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.096 12.092 3.988 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 0.954 11.638 7.465 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.212 12.782 7.040 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 3.882 11.215 7.140 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.155 10.364 8.488 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.203 11.143 4.992 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.753 7.902 -0.374 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.071 3.643 0.909 1.00 10.00 H new HETATM 0 HHD HEM A 201 -0.041 6.543 6.579 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.955 2.736 -1.186 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.382 5.193 5.444 1.00 10.00 H new