USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 1.16 K(o=1.1,f=-1.6) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.0986 K(o=1.1,f=0.16) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.615 K(o=-0.15,f=-5.8!) USER MOD Set 2.2: A 201 HEM CMD :methyl 150:sc= -0.765 (180deg=-0.726) USER MOD Set 3.1: A 30 TYR OH : rot 174:sc= 1.07 USER MOD Set 3.2: A 71 SER OG : rot -68:sc= 1.92 USER MOD Set 4.1: A 17 ASN : amide:sc= 1.1 K(o=2.2,f=-14!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ 175:sc= 1.1 (180deg=-0.166) USER MOD Set 5.1: A 15 HIS : no HD1:sc= -0.108 K(o=1.2,f=-7.3!) USER MOD Set 5.2: A 20 SER OG : rot -162:sc= 1.31 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -129:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= 2.31 (180deg=1.9) USER MOD Single : A 16 ASN : amide:sc= 0.5 K(o=0.5,f=-7!) USER MOD Single : A 18 SER OG : rot 180:sc= 1.04 USER MOD Single : A 21 THR OG1 : rot 10:sc= 0.135 USER MOD Single : A 26 HIS : no HE2:sc= -0.208 X(o=-0.21,f=-0.11) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 107:sc= 1.33 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 42:sc= 1.27 USER MOD Single : A 64 SER OG : rot 126:sc= 0.705 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00331 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.419) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.862 K(o=-0.86,f=-9.6!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0884 (180deg=-0.744) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.44 (180deg=-2.44) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.399 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.735 -1.327 -19.651 1.00 0.00 N ATOM 2 CA ALA A 3 0.831 -0.973 -18.532 1.00 0.00 C ATOM 3 C ALA A 3 1.622 -0.869 -17.223 1.00 0.00 C ATOM 4 O ALA A 3 2.846 -0.954 -17.269 1.00 0.00 O ATOM 5 CB ALA A 3 0.084 0.329 -18.841 1.00 0.00 C ATOM 0 HA ALA A 3 0.088 -1.762 -18.412 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.576 0.576 -18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.803 1.135 -18.985 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.507 0.203 -19.748 1.00 0.00 H new ATOM 13 N VAL A 4 0.951 -0.699 -16.080 1.00 0.00 N ATOM 14 CA VAL A 4 1.619 -0.684 -14.778 1.00 0.00 C ATOM 15 C VAL A 4 2.219 -2.051 -14.425 1.00 0.00 C ATOM 16 O VAL A 4 1.747 -3.088 -14.889 1.00 0.00 O ATOM 17 CB VAL A 4 0.649 -0.235 -13.670 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.189 1.210 -13.892 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.573 -1.153 -13.535 1.00 0.00 C ATOM 0 H VAL A 4 -0.060 -0.569 -16.032 1.00 0.00 H new ATOM 0 HA VAL A 4 2.437 0.033 -14.849 1.00 0.00 H new ATOM 0 HB VAL A 4 1.209 -0.299 -12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.495 1.501 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.055 1.872 -13.887 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.320 1.286 -14.853 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.219 -0.784 -12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.126 -1.163 -14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.244 -2.164 -13.297 1.00 0.00 H new ATOM 29 N LYS A 5 3.240 -2.064 -13.564 1.00 0.00 N ATOM 30 CA LYS A 5 3.728 -3.312 -12.995 1.00 0.00 C ATOM 31 C LYS A 5 2.771 -3.792 -11.898 1.00 0.00 C ATOM 32 O LYS A 5 2.888 -3.420 -10.734 1.00 0.00 O ATOM 33 CB LYS A 5 5.175 -3.166 -12.502 1.00 0.00 C ATOM 34 CG LYS A 5 5.706 -4.526 -12.013 1.00 0.00 C ATOM 35 CD LYS A 5 7.172 -4.464 -11.564 1.00 0.00 C ATOM 36 CE LYS A 5 8.161 -4.413 -12.731 1.00 0.00 C ATOM 37 NZ LYS A 5 9.554 -4.435 -12.233 1.00 0.00 N ATOM 0 H LYS A 5 3.737 -1.230 -13.251 1.00 0.00 H new ATOM 0 HA LYS A 5 3.749 -4.079 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.806 -2.789 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.220 -2.437 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.091 -4.874 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.606 -5.259 -12.813 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.316 -3.584 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.393 -5.335 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.993 -5.261 -13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.993 -3.510 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.211 -4.400 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.716 -3.612 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.716 -5.309 -11.692 1.00 0.00 H new ATOM 47 N TYR A 6 1.802 -4.615 -12.288 1.00 0.00 N ATOM 48 CA TYR A 6 0.986 -5.377 -11.350 1.00 0.00 C ATOM 49 C TYR A 6 1.878 -6.243 -10.451 1.00 0.00 C ATOM 50 O TYR A 6 2.910 -6.740 -10.902 1.00 0.00 O ATOM 51 CB TYR A 6 0.015 -6.269 -12.122 1.00 0.00 C ATOM 52 CG TYR A 6 -0.962 -5.520 -13.022 1.00 0.00 C ATOM 53 CD1 TYR A 6 -0.602 -5.146 -14.333 1.00 0.00 C ATOM 54 CD2 TYR A 6 -2.219 -5.130 -12.532 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.415 -4.253 -15.060 1.00 0.00 C ATOM 56 CE2 TYR A 6 -3.102 -4.400 -13.334 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.643 -3.831 -14.525 1.00 0.00 C ATOM 58 OH TYR A 6 -3.295 -2.753 -15.035 1.00 0.00 O ATOM 0 H TYR A 6 1.560 -4.772 -13.266 1.00 0.00 H new ATOM 0 HA TYR A 6 0.425 -4.682 -10.725 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.590 -6.965 -12.733 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.554 -6.866 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.297 -5.544 -14.780 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.507 -5.397 -11.526 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.094 -3.894 -16.027 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.132 -4.277 -13.035 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.526 -2.137 -14.309 1.00 0.00 H new ATOM 67 N TYR A 7 1.468 -6.440 -9.198 1.00 0.00 N ATOM 68 CA TYR A 7 2.134 -7.351 -8.281 1.00 0.00 C ATOM 69 C TYR A 7 1.086 -8.266 -7.655 1.00 0.00 C ATOM 70 O TYR A 7 0.090 -7.784 -7.129 1.00 0.00 O ATOM 71 CB TYR A 7 2.898 -6.562 -7.218 1.00 0.00 C ATOM 72 CG TYR A 7 3.943 -5.611 -7.759 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.242 -6.074 -8.037 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.641 -4.245 -7.899 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.270 -5.152 -8.301 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.657 -3.337 -8.242 1.00 0.00 C ATOM 77 CZ TYR A 7 5.979 -3.782 -8.367 1.00 0.00 C ATOM 78 OH TYR A 7 6.973 -2.885 -8.608 1.00 0.00 O ATOM 0 H TYR A 7 0.660 -5.967 -8.793 1.00 0.00 H new ATOM 0 HA TYR A 7 2.861 -7.962 -8.816 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.182 -5.993 -6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.384 -7.266 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.449 -7.134 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.631 -3.895 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.282 -5.498 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.419 -2.297 -8.409 1.00 0.00 H new ATOM 0 HH TYR A 7 6.600 -1.979 -8.623 1.00 0.00 H new ATOM 87 N THR A 8 1.290 -9.579 -7.733 1.00 0.00 N ATOM 88 CA THR A 8 0.369 -10.553 -7.158 1.00 0.00 C ATOM 89 C THR A 8 0.425 -10.478 -5.644 1.00 0.00 C ATOM 90 O THR A 8 1.485 -10.259 -5.057 1.00 0.00 O ATOM 91 CB THR A 8 0.719 -11.959 -7.648 1.00 0.00 C ATOM 92 OG1 THR A 8 2.085 -12.229 -7.400 1.00 0.00 O ATOM 93 CG2 THR A 8 0.466 -12.054 -9.150 1.00 0.00 C ATOM 0 H THR A 8 2.098 -9.996 -8.196 1.00 0.00 H new ATOM 0 HA THR A 8 -0.647 -10.324 -7.479 1.00 0.00 H new ATOM 0 HB THR A 8 0.099 -12.682 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.302 -13.131 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.716 -13.056 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.585 -11.850 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.086 -11.324 -9.670 1.00 0.00 H new ATOM 101 N LEU A 9 -0.729 -10.668 -5.013 1.00 0.00 N ATOM 102 CA LEU A 9 -0.916 -10.727 -3.573 1.00 0.00 C ATOM 103 C LEU A 9 0.196 -11.513 -2.868 1.00 0.00 C ATOM 104 O LEU A 9 0.594 -11.132 -1.782 1.00 0.00 O ATOM 105 CB LEU A 9 -2.222 -11.459 -3.342 1.00 0.00 C ATOM 106 CG LEU A 9 -3.013 -11.057 -2.095 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.296 -11.893 -2.023 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.248 -11.183 -0.779 1.00 0.00 C ATOM 0 H LEU A 9 -1.604 -10.791 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.907 -9.714 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.858 -11.308 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.010 -12.527 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.229 -9.994 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.864 -11.612 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.899 -11.712 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.038 -12.951 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.891 -10.876 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.941 -12.219 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.365 -10.544 -0.809 1.00 0.00 H new ATOM 119 N GLU A 10 0.686 -12.614 -3.457 1.00 0.00 N ATOM 120 CA GLU A 10 1.892 -13.294 -2.963 1.00 0.00 C ATOM 121 C GLU A 10 2.972 -12.261 -2.632 1.00 0.00 C ATOM 122 O GLU A 10 3.440 -12.156 -1.498 1.00 0.00 O ATOM 123 CB GLU A 10 2.443 -14.321 -3.980 1.00 0.00 C ATOM 124 CG GLU A 10 3.957 -14.513 -3.714 1.00 0.00 C ATOM 125 CD GLU A 10 4.653 -15.724 -4.303 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.968 -16.602 -4.862 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.899 -15.713 -4.153 1.00 0.00 O ATOM 0 H GLU A 10 0.265 -13.052 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 10 1.613 -13.842 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.918 -15.271 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.279 -13.970 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.472 -13.625 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.102 -14.542 -2.634 1.00 0.00 H new ATOM 132 N GLU A 11 3.366 -11.499 -3.649 1.00 0.00 N ATOM 133 CA GLU A 11 4.384 -10.480 -3.535 1.00 0.00 C ATOM 134 C GLU A 11 3.959 -9.479 -2.488 1.00 0.00 C ATOM 135 O GLU A 11 4.669 -9.259 -1.516 1.00 0.00 O ATOM 136 CB GLU A 11 4.650 -9.835 -4.903 1.00 0.00 C ATOM 137 CG GLU A 11 6.070 -9.246 -4.993 1.00 0.00 C ATOM 138 CD GLU A 11 7.162 -10.287 -5.243 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.089 -11.379 -4.634 1.00 0.00 O ATOM 140 OE2 GLU A 11 8.064 -9.977 -6.047 1.00 0.00 O ATOM 0 H GLU A 11 2.975 -11.580 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 11 5.329 -10.919 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.515 -10.579 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.918 -9.047 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.096 -8.508 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.292 -8.717 -4.066 1.00 0.00 H new ATOM 145 N ILE A 12 2.743 -8.957 -2.619 1.00 0.00 N ATOM 146 CA ILE A 12 2.232 -8.006 -1.649 1.00 0.00 C ATOM 147 C ILE A 12 2.373 -8.527 -0.211 1.00 0.00 C ATOM 148 O ILE A 12 2.910 -7.826 0.646 1.00 0.00 O ATOM 149 CB ILE A 12 0.813 -7.529 -2.010 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.557 -7.386 -3.519 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.562 -6.147 -1.413 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.879 -6.968 -3.819 1.00 0.00 C ATOM 0 H ILE A 12 2.102 -9.176 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 12 2.855 -7.113 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 12 0.153 -8.299 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.243 -6.648 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.769 -8.334 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.444 -5.816 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.660 -6.196 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.291 -5.441 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.014 -6.879 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.566 -7.719 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.084 -6.007 -3.347 1.00 0.00 H new ATOM 163 N GLN A 13 2.052 -9.801 0.032 1.00 0.00 N ATOM 164 CA GLN A 13 2.215 -10.395 1.360 1.00 0.00 C ATOM 165 C GLN A 13 3.656 -10.342 1.871 1.00 0.00 C ATOM 166 O GLN A 13 3.890 -10.265 3.076 1.00 0.00 O ATOM 167 CB GLN A 13 1.758 -11.858 1.345 1.00 0.00 C ATOM 168 CG GLN A 13 0.257 -11.966 1.626 1.00 0.00 C ATOM 169 CD GLN A 13 -0.095 -11.687 3.082 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.755 -10.710 3.404 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.335 -12.551 3.992 1.00 0.00 N ATOM 0 H GLN A 13 1.679 -10.438 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 13 1.599 -9.800 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.983 -12.303 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.313 -12.424 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.279 -11.264 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.086 -12.966 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.885 -13.361 3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.116 -12.405 4.977 1.00 0.00 H new ATOM 178 N LYS A 14 4.631 -10.413 0.968 1.00 0.00 N ATOM 179 CA LYS A 14 6.032 -10.467 1.336 1.00 0.00 C ATOM 180 C LYS A 14 6.539 -9.068 1.751 1.00 0.00 C ATOM 181 O LYS A 14 7.560 -8.963 2.435 1.00 0.00 O ATOM 182 CB LYS A 14 6.805 -11.124 0.173 1.00 0.00 C ATOM 183 CG LYS A 14 6.554 -12.647 0.139 1.00 0.00 C ATOM 184 CD LYS A 14 6.446 -13.247 -1.276 1.00 0.00 C ATOM 185 CE LYS A 14 7.745 -13.316 -2.083 1.00 0.00 C ATOM 186 NZ LYS A 14 7.462 -13.665 -3.496 1.00 0.00 N ATOM 0 H LYS A 14 4.466 -10.434 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 14 6.196 -11.085 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.496 -10.679 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.872 -10.929 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.363 -13.147 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.634 -12.863 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.042 -14.256 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.722 -12.661 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.261 -12.357 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.412 -14.059 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.330 -14.020 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.728 -14.401 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.130 -12.820 -4.002 1.00 0.00 H new ATOM 196 N HIS A 15 5.799 -7.995 1.423 1.00 0.00 N ATOM 197 CA HIS A 15 6.131 -6.613 1.772 1.00 0.00 C ATOM 198 C HIS A 15 5.327 -6.100 2.967 1.00 0.00 C ATOM 199 O HIS A 15 4.571 -5.130 2.900 1.00 0.00 O ATOM 200 CB HIS A 15 5.943 -5.704 0.575 1.00 0.00 C ATOM 201 CG HIS A 15 6.945 -5.949 -0.513 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.118 -5.260 -0.704 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.803 -6.835 -1.539 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.698 -5.760 -1.807 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.940 -6.730 -2.347 1.00 0.00 N ATOM 0 H HIS A 15 4.931 -8.073 0.893 1.00 0.00 H new ATOM 0 HA HIS A 15 7.180 -6.603 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.939 -5.844 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.015 -4.666 0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.965 -7.497 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.645 -5.428 -2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.152 -7.280 -3.180 1.00 0.00 H new ATOM 212 N ASN A 16 5.586 -6.745 4.092 1.00 0.00 N ATOM 213 CA ASN A 16 5.149 -6.330 5.415 1.00 0.00 C ATOM 214 C ASN A 16 6.050 -6.991 6.459 1.00 0.00 C ATOM 215 O ASN A 16 5.701 -8.005 7.059 1.00 0.00 O ATOM 216 CB ASN A 16 3.663 -6.635 5.647 1.00 0.00 C ATOM 217 CG ASN A 16 3.206 -6.073 6.996 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.005 -5.551 7.766 1.00 0.00 O ATOM 219 ND2 ASN A 16 1.918 -6.098 7.290 1.00 0.00 N ATOM 0 H ASN A 16 6.129 -7.608 4.109 1.00 0.00 H new ATOM 0 HA ASN A 16 5.242 -5.248 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.067 -6.201 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.498 -7.712 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.585 -5.682 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.256 -6.533 6.647 1.00 0.00 H new ATOM 225 N ASN A 17 7.261 -6.459 6.620 1.00 0.00 N ATOM 226 CA ASN A 17 8.169 -6.894 7.679 1.00 0.00 C ATOM 227 C ASN A 17 9.107 -5.758 8.128 1.00 0.00 C ATOM 228 O ASN A 17 10.216 -5.992 8.605 1.00 0.00 O ATOM 229 CB ASN A 17 8.854 -8.230 7.298 1.00 0.00 C ATOM 230 CG ASN A 17 8.888 -8.538 5.797 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.889 -8.319 5.125 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.806 -9.063 5.241 1.00 0.00 N ATOM 0 H ASN A 17 7.637 -5.721 6.025 1.00 0.00 H new ATOM 0 HA ASN A 17 7.599 -7.123 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.877 -8.216 7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.338 -9.043 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.802 -9.288 4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.977 -9.242 5.808 1.00 0.00 H new ATOM 238 N SER A 18 8.683 -4.499 7.939 1.00 0.00 N ATOM 239 CA SER A 18 9.400 -3.254 8.261 1.00 0.00 C ATOM 240 C SER A 18 10.409 -2.970 7.144 1.00 0.00 C ATOM 241 O SER A 18 10.460 -1.881 6.586 1.00 0.00 O ATOM 242 CB SER A 18 9.994 -3.266 9.678 1.00 0.00 C ATOM 243 OG SER A 18 9.918 -1.958 10.219 1.00 0.00 O ATOM 0 H SER A 18 7.768 -4.310 7.529 1.00 0.00 H new ATOM 0 HA SER A 18 8.701 -2.418 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.448 -3.967 10.309 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.030 -3.602 9.649 1.00 0.00 H new ATOM 0 HG SER A 18 10.293 -1.956 11.124 1.00 0.00 H new ATOM 248 N LYS A 19 11.143 -4.030 6.800 1.00 0.00 N ATOM 249 CA LYS A 19 11.914 -4.273 5.589 1.00 0.00 C ATOM 250 C LYS A 19 11.408 -3.447 4.399 1.00 0.00 C ATOM 251 O LYS A 19 12.153 -2.755 3.714 1.00 0.00 O ATOM 252 CB LYS A 19 11.590 -5.750 5.291 1.00 0.00 C ATOM 253 CG LYS A 19 12.553 -6.743 5.946 1.00 0.00 C ATOM 254 CD LYS A 19 13.619 -7.251 4.960 1.00 0.00 C ATOM 255 CE LYS A 19 13.203 -8.522 4.199 1.00 0.00 C ATOM 256 NZ LYS A 19 11.959 -8.347 3.418 1.00 0.00 N ATOM 0 H LYS A 19 11.216 -4.824 7.437 1.00 0.00 H new ATOM 0 HA LYS A 19 12.967 -4.024 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.577 -5.965 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.604 -5.904 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.043 -6.266 6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.989 -7.590 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.840 -6.463 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.541 -7.451 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.009 -8.817 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.067 -9.337 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.775 -9.206 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.163 -8.177 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.063 -7.535 2.777 1.00 0.00 H new ATOM 266 N SER A 20 10.108 -3.610 4.157 1.00 0.00 N ATOM 267 CA SER A 20 9.285 -2.862 3.231 1.00 0.00 C ATOM 268 C SER A 20 7.863 -2.868 3.805 1.00 0.00 C ATOM 269 O SER A 20 7.553 -3.678 4.690 1.00 0.00 O ATOM 270 CB SER A 20 9.380 -3.482 1.832 1.00 0.00 C ATOM 271 OG SER A 20 8.408 -2.967 0.936 1.00 0.00 O ATOM 0 H SER A 20 9.569 -4.326 4.645 1.00 0.00 H new ATOM 0 HA SER A 20 9.616 -1.830 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.375 -3.300 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.260 -4.563 1.909 1.00 0.00 H new ATOM 0 HG SER A 20 8.319 -3.570 0.168 1.00 0.00 H new ATOM 276 N THR A 21 7.020 -1.944 3.355 1.00 0.00 N ATOM 277 CA THR A 21 5.610 -1.868 3.723 1.00 0.00 C ATOM 278 C THR A 21 4.781 -1.494 2.504 1.00 0.00 C ATOM 279 O THR A 21 4.668 -0.315 2.162 1.00 0.00 O ATOM 280 CB THR A 21 5.418 -0.881 4.884 1.00 0.00 C ATOM 281 OG1 THR A 21 5.879 -1.520 6.058 1.00 0.00 O ATOM 282 CG2 THR A 21 3.969 -0.428 5.087 1.00 0.00 C ATOM 0 H THR A 21 7.305 -1.209 2.708 1.00 0.00 H new ATOM 0 HA THR A 21 5.265 -2.842 4.070 1.00 0.00 H new ATOM 0 HB THR A 21 5.979 0.024 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.335 -2.354 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.919 0.267 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.613 0.067 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.343 -1.295 5.297 1.00 0.00 H new ATOM 290 N TRP A 22 4.186 -2.509 1.873 1.00 0.00 N ATOM 291 CA TRP A 22 3.194 -2.321 0.828 1.00 0.00 C ATOM 292 C TRP A 22 1.798 -2.240 1.367 1.00 0.00 C ATOM 293 O TRP A 22 1.522 -2.539 2.518 1.00 0.00 O ATOM 294 CB TRP A 22 3.304 -3.394 -0.277 1.00 0.00 C ATOM 295 CG TRP A 22 4.530 -3.415 -1.141 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.663 -2.716 -0.935 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.770 -4.193 -2.353 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.553 -2.956 -1.957 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.052 -3.853 -2.874 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.040 -5.163 -3.067 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.546 -4.409 -4.065 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.570 -5.804 -4.193 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.804 -5.405 -4.714 1.00 0.00 C ATOM 0 H TRP A 22 4.385 -3.488 2.079 1.00 0.00 H new ATOM 0 HA TRP A 22 3.417 -1.356 0.373 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.219 -4.370 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.440 -3.284 -0.932 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.846 -2.064 -0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.473 -2.522 -2.027 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.044 -5.419 -2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.487 -4.073 -4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.023 -6.610 -4.661 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.185 -5.863 -5.615 1.00 0.00 H new ATOM 313 N LEU A 23 0.919 -1.771 0.499 1.00 0.00 N ATOM 314 CA LEU A 23 -0.492 -1.769 0.766 1.00 0.00 C ATOM 315 C LEU A 23 -1.285 -1.691 -0.534 1.00 0.00 C ATOM 316 O LEU A 23 -0.680 -1.483 -1.581 1.00 0.00 O ATOM 317 CB LEU A 23 -0.881 -0.671 1.763 1.00 0.00 C ATOM 318 CG LEU A 23 -0.010 0.436 2.368 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.743 1.780 2.151 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.074 0.316 3.899 1.00 0.00 C ATOM 0 H LEU A 23 1.173 -1.382 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.750 -2.714 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.711 -0.146 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.289 -1.205 2.621 1.00 0.00 H new ATOM 0 HG LEU A 23 0.976 0.367 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.148 2.591 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.884 1.949 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.714 1.749 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.699 1.117 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.926 0.393 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.508 -0.648 4.165 1.00 0.00 H new ATOM 331 N ILE A 24 -2.615 -1.843 -0.472 1.00 0.00 N ATOM 332 CA ILE A 24 -3.494 -1.573 -1.611 1.00 0.00 C ATOM 333 C ILE A 24 -4.508 -0.487 -1.250 1.00 0.00 C ATOM 334 O ILE A 24 -5.309 -0.684 -0.332 1.00 0.00 O ATOM 335 CB ILE A 24 -4.234 -2.831 -2.107 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.284 -3.978 -2.480 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.088 -2.482 -3.331 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.913 -5.370 -2.328 1.00 0.00 C ATOM 0 H ILE A 24 -3.107 -2.155 0.365 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.855 -1.231 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.857 -3.172 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.957 -3.847 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.394 -3.920 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.609 -3.375 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.817 -1.718 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.446 -2.104 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.185 -6.131 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.215 -5.522 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.786 -5.447 -2.976 1.00 0.00 H new ATOM 349 N LEU A 25 -4.506 0.626 -1.994 1.00 0.00 N ATOM 350 CA LEU A 25 -5.546 1.649 -1.904 1.00 0.00 C ATOM 351 C LEU A 25 -6.245 1.695 -3.274 1.00 0.00 C ATOM 352 O LEU A 25 -5.645 2.102 -4.265 1.00 0.00 O ATOM 353 CB LEU A 25 -5.026 3.024 -1.425 1.00 0.00 C ATOM 354 CG LEU A 25 -3.895 3.013 -0.388 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.493 4.451 -0.056 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.294 2.335 0.917 1.00 0.00 C ATOM 0 H LEU A 25 -3.779 0.840 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.264 1.384 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.682 3.580 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.866 3.578 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.073 2.452 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.690 4.443 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.150 4.951 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.352 4.985 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.454 2.358 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.142 2.861 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.573 1.300 0.719 1.00 0.00 H new ATOM 367 N HIS A 26 -7.490 1.216 -3.358 1.00 0.00 N ATOM 368 CA HIS A 26 -8.303 1.256 -4.578 1.00 0.00 C ATOM 369 C HIS A 26 -7.692 0.420 -5.728 1.00 0.00 C ATOM 370 O HIS A 26 -7.458 0.934 -6.819 1.00 0.00 O ATOM 371 CB HIS A 26 -8.540 2.724 -4.994 1.00 0.00 C ATOM 372 CG HIS A 26 -8.850 3.687 -3.867 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.104 4.028 -3.415 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.946 4.490 -3.214 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.956 5.013 -2.512 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.660 5.338 -2.361 1.00 0.00 N ATOM 0 H HIS A 26 -7.969 0.783 -2.568 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.265 0.793 -4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.653 3.081 -5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.364 2.751 -5.707 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.986 3.610 -3.711 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.873 4.470 -3.338 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.770 5.481 -1.979 1.00 0.00 H new ATOM 383 N TYR A 27 -7.369 -0.856 -5.471 1.00 0.00 N ATOM 384 CA TYR A 27 -6.628 -1.780 -6.354 1.00 0.00 C ATOM 385 C TYR A 27 -5.145 -1.441 -6.539 1.00 0.00 C ATOM 386 O TYR A 27 -4.356 -2.320 -6.897 1.00 0.00 O ATOM 387 CB TYR A 27 -7.222 -1.941 -7.761 1.00 0.00 C ATOM 388 CG TYR A 27 -8.692 -2.305 -7.834 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.079 -3.655 -7.722 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.659 -1.325 -8.123 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.421 -4.024 -7.911 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.006 -1.693 -8.286 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.385 -3.042 -8.179 1.00 0.00 C ATOM 394 OH TYR A 27 -12.680 -3.401 -8.382 1.00 0.00 O ATOM 0 H TYR A 27 -7.631 -1.300 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.728 -2.714 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.074 -1.007 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.653 -2.708 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.341 -4.409 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.367 -0.290 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.710 -5.063 -7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.750 -0.938 -8.494 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.218 -2.600 -8.554 1.00 0.00 H new ATOM 403 N LYS A 28 -4.763 -0.173 -6.351 1.00 0.00 N ATOM 404 CA LYS A 28 -3.419 0.280 -6.637 1.00 0.00 C ATOM 405 C LYS A 28 -2.500 -0.105 -5.486 1.00 0.00 C ATOM 406 O LYS A 28 -2.890 0.063 -4.334 1.00 0.00 O ATOM 407 CB LYS A 28 -3.414 1.775 -6.936 1.00 0.00 C ATOM 408 CG LYS A 28 -4.325 2.046 -8.139 1.00 0.00 C ATOM 409 CD LYS A 28 -4.010 3.417 -8.731 1.00 0.00 C ATOM 410 CE LYS A 28 -4.949 3.677 -9.914 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.718 5.012 -10.503 1.00 0.00 N ATOM 0 H LYS A 28 -5.382 0.557 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.038 -0.210 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.761 2.334 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.400 2.113 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.184 1.273 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.370 2.004 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.134 4.192 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.971 3.456 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.799 2.911 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.984 3.598 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.369 5.157 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.885 5.743 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.737 5.077 -10.841 1.00 0.00 H new ATOM 421 N VAL A 29 -1.316 -0.644 -5.792 1.00 0.00 N ATOM 422 CA VAL A 29 -0.363 -1.099 -4.784 1.00 0.00 C ATOM 423 C VAL A 29 0.625 0.022 -4.477 1.00 0.00 C ATOM 424 O VAL A 29 1.046 0.767 -5.367 1.00 0.00 O ATOM 425 CB VAL A 29 0.381 -2.388 -5.174 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.491 -2.743 -4.169 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.553 -3.586 -5.078 1.00 0.00 C ATOM 0 H VAL A 29 -0.994 -0.776 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.937 -1.350 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 29 0.769 -2.202 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.989 -3.660 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.218 -1.932 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.054 -2.889 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.014 -4.491 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.918 -3.682 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.397 -3.444 -5.753 1.00 0.00 H new ATOM 437 N TYR A 30 0.985 0.104 -3.203 1.00 0.00 N ATOM 438 CA TYR A 30 1.783 1.098 -2.550 1.00 0.00 C ATOM 439 C TYR A 30 3.058 0.453 -1.989 1.00 0.00 C ATOM 440 O TYR A 30 3.014 -0.729 -1.670 1.00 0.00 O ATOM 441 CB TYR A 30 0.795 1.591 -1.485 1.00 0.00 C ATOM 442 CG TYR A 30 -0.197 2.567 -2.057 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.386 2.110 -2.645 1.00 0.00 C ATOM 444 CD2 TYR A 30 0.191 3.899 -2.232 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.231 3.011 -3.317 1.00 0.00 C ATOM 446 CE2 TYR A 30 -0.675 4.803 -2.850 1.00 0.00 C ATOM 447 CZ TYR A 30 -1.906 4.372 -3.363 1.00 0.00 C ATOM 448 OH TYR A 30 -2.747 5.264 -3.957 1.00 0.00 O ATOM 0 H TYR A 30 0.684 -0.611 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 30 2.163 1.911 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.264 0.740 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.344 2.064 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.653 1.065 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.161 4.228 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.130 2.653 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.394 5.843 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.413 6.174 -3.814 1.00 0.00 H new ATOM 457 N ASP A 31 4.173 1.193 -1.914 1.00 0.00 N ATOM 458 CA ASP A 31 5.380 0.827 -1.143 1.00 0.00 C ATOM 459 C ASP A 31 5.847 2.067 -0.378 1.00 0.00 C ATOM 460 O ASP A 31 6.327 3.034 -0.972 1.00 0.00 O ATOM 461 CB ASP A 31 6.544 0.294 -1.986 1.00 0.00 C ATOM 462 CG ASP A 31 7.689 -0.258 -1.121 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.778 0.086 0.082 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.434 -1.106 -1.656 1.00 0.00 O ATOM 0 H ASP A 31 4.268 2.086 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 31 5.094 0.008 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.180 -0.492 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.925 1.094 -2.621 1.00 0.00 H new ATOM 468 N LEU A 32 5.662 2.053 0.938 1.00 0.00 N ATOM 469 CA LEU A 32 5.732 3.261 1.744 1.00 0.00 C ATOM 470 C LEU A 32 6.999 3.381 2.574 1.00 0.00 C ATOM 471 O LEU A 32 7.675 4.400 2.468 1.00 0.00 O ATOM 472 CB LEU A 32 4.440 3.326 2.551 1.00 0.00 C ATOM 473 CG LEU A 32 3.278 3.094 1.576 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.963 3.438 2.212 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.301 4.041 0.388 1.00 0.00 C ATOM 0 H LEU A 32 5.460 1.207 1.471 1.00 0.00 H new ATOM 0 HA LEU A 32 5.808 4.137 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.439 2.570 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.342 4.295 3.041 1.00 0.00 H new ATOM 0 HG LEU A 32 3.386 2.049 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.157 3.264 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.810 2.813 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.965 4.487 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.455 3.827 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.235 5.070 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.230 3.906 -0.167 1.00 0.00 H new ATOM 486 N THR A 33 7.286 2.360 3.386 1.00 0.00 N ATOM 487 CA THR A 33 8.528 2.056 4.114 1.00 0.00 C ATOM 488 C THR A 33 9.285 3.194 4.835 1.00 0.00 C ATOM 489 O THR A 33 9.601 3.069 6.011 1.00 0.00 O ATOM 490 CB THR A 33 9.417 1.239 3.164 1.00 0.00 C ATOM 491 OG1 THR A 33 8.633 0.208 2.573 1.00 0.00 O ATOM 492 CG2 THR A 33 10.566 0.594 3.940 1.00 0.00 C ATOM 0 H THR A 33 6.580 1.648 3.571 1.00 0.00 H new ATOM 0 HA THR A 33 8.222 1.495 4.997 1.00 0.00 H new ATOM 0 HB THR A 33 9.824 1.900 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.461 0.426 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.189 0.018 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.168 1.371 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.161 -0.067 4.706 1.00 0.00 H new ATOM 500 N LYS A 34 9.594 4.293 4.156 1.00 0.00 N ATOM 501 CA LYS A 34 10.084 5.544 4.729 1.00 0.00 C ATOM 502 C LYS A 34 8.931 6.410 5.228 1.00 0.00 C ATOM 503 O LYS A 34 9.045 7.075 6.252 1.00 0.00 O ATOM 504 CB LYS A 34 10.794 6.317 3.610 1.00 0.00 C ATOM 505 CG LYS A 34 12.028 5.566 3.110 1.00 0.00 C ATOM 506 CD LYS A 34 12.583 6.266 1.864 1.00 0.00 C ATOM 507 CE LYS A 34 13.737 5.451 1.269 1.00 0.00 C ATOM 508 NZ LYS A 34 14.211 6.045 0.001 1.00 0.00 N ATOM 0 H LYS A 34 9.506 4.339 3.141 1.00 0.00 H new ATOM 0 HA LYS A 34 10.745 5.318 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.104 6.478 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.088 7.301 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.788 5.533 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.768 4.534 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.793 6.386 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.930 7.266 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.560 5.406 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.410 4.426 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.992 5.473 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.430 6.066 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.545 7.015 0.175 1.00 0.00 H new ATOM 518 N PHE A 35 7.804 6.417 4.504 1.00 0.00 N ATOM 519 CA PHE A 35 6.682 7.294 4.861 1.00 0.00 C ATOM 520 C PHE A 35 6.228 7.012 6.294 1.00 0.00 C ATOM 521 O PHE A 35 5.873 7.916 7.040 1.00 0.00 O ATOM 522 CB PHE A 35 5.537 7.175 3.861 1.00 0.00 C ATOM 523 CG PHE A 35 4.344 8.027 4.242 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.527 9.399 4.504 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.060 7.463 4.341 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.422 10.227 4.741 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.955 8.289 4.611 1.00 0.00 C ATOM 528 CZ PHE A 35 2.133 9.677 4.758 1.00 0.00 C ATOM 0 H PHE A 35 7.646 5.836 3.681 1.00 0.00 H new ATOM 0 HA PHE A 35 7.023 8.328 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.890 7.470 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.227 6.132 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.524 9.814 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.923 6.400 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.563 11.284 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.969 7.858 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.274 10.320 4.884 1.00 0.00 H new ATOM 537 N LEU A 36 6.318 5.737 6.668 1.00 0.00 N ATOM 538 CA LEU A 36 6.271 5.215 8.024 1.00 0.00 C ATOM 539 C LEU A 36 6.795 6.235 9.059 1.00 0.00 C ATOM 540 O LEU A 36 6.098 6.589 10.005 1.00 0.00 O ATOM 541 CB LEU A 36 7.175 3.969 7.980 1.00 0.00 C ATOM 542 CG LEU A 36 6.687 2.811 7.092 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.343 1.505 7.575 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.183 2.550 7.109 1.00 0.00 C ATOM 0 H LEU A 36 6.434 4.993 5.980 1.00 0.00 H new ATOM 0 HA LEU A 36 5.250 4.991 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.163 4.274 7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.294 3.595 8.997 1.00 0.00 H new ATOM 0 HG LEU A 36 6.958 3.110 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.005 0.676 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.427 1.594 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.062 1.319 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.951 1.714 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.867 2.309 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.655 3.440 6.766 1.00 0.00 H new ATOM 555 N GLU A 37 8.016 6.737 8.848 1.00 0.00 N ATOM 556 CA GLU A 37 8.727 7.660 9.729 1.00 0.00 C ATOM 557 C GLU A 37 8.061 9.050 9.836 1.00 0.00 C ATOM 558 O GLU A 37 8.227 9.747 10.836 1.00 0.00 O ATOM 559 CB GLU A 37 10.162 7.784 9.187 1.00 0.00 C ATOM 560 CG GLU A 37 10.914 6.439 9.159 1.00 0.00 C ATOM 561 CD GLU A 37 12.311 6.570 8.560 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.225 6.927 9.332 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.438 6.306 7.343 1.00 0.00 O ATOM 0 H GLU A 37 8.558 6.497 8.018 1.00 0.00 H new ATOM 0 HA GLU A 37 8.710 7.261 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.129 8.197 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.717 8.492 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.991 6.047 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.339 5.716 8.581 1.00 0.00 H new ATOM 568 N GLU A 38 7.346 9.462 8.787 1.00 0.00 N ATOM 569 CA GLU A 38 6.766 10.791 8.583 1.00 0.00 C ATOM 570 C GLU A 38 5.268 10.857 8.945 1.00 0.00 C ATOM 571 O GLU A 38 4.800 11.819 9.553 1.00 0.00 O ATOM 572 CB GLU A 38 7.021 11.141 7.106 1.00 0.00 C ATOM 573 CG GLU A 38 6.326 12.424 6.633 1.00 0.00 C ATOM 574 CD GLU A 38 6.691 12.768 5.193 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.721 13.450 5.016 1.00 0.00 O ATOM 576 OE2 GLU A 38 5.936 12.326 4.301 1.00 0.00 O ATOM 0 H GLU A 38 7.144 8.836 8.007 1.00 0.00 H new ATOM 0 HA GLU A 38 7.232 11.517 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.095 11.244 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.687 10.310 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.246 12.304 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.605 13.251 7.286 1.00 0.00 H new ATOM 581 N HIS A 39 4.500 9.844 8.539 1.00 0.00 N ATOM 582 CA HIS A 39 3.041 9.798 8.587 1.00 0.00 C ATOM 583 C HIS A 39 2.438 10.095 9.975 1.00 0.00 C ATOM 584 O HIS A 39 2.672 9.337 10.919 1.00 0.00 O ATOM 585 CB HIS A 39 2.620 8.403 8.125 1.00 0.00 C ATOM 586 CG HIS A 39 1.132 8.155 8.110 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.527 7.049 8.647 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.185 8.839 7.393 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.750 7.050 8.233 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.016 8.128 7.467 1.00 0.00 N ATOM 0 H HIS A 39 4.901 8.991 8.148 1.00 0.00 H new ATOM 0 HA HIS A 39 2.660 10.587 7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.010 8.237 7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.089 7.665 8.776 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.966 6.353 9.250 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.340 9.767 6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.472 6.286 8.481 1.00 0.00 H new ATOM 597 N PRO A 40 1.579 11.122 10.114 1.00 0.00 N ATOM 598 CA PRO A 40 0.942 11.457 11.386 1.00 0.00 C ATOM 599 C PRO A 40 -0.008 10.359 11.891 1.00 0.00 C ATOM 600 O PRO A 40 -0.248 10.257 13.090 1.00 0.00 O ATOM 601 CB PRO A 40 0.231 12.794 11.152 1.00 0.00 C ATOM 602 CG PRO A 40 -0.059 12.773 9.654 1.00 0.00 C ATOM 603 CD PRO A 40 1.151 12.049 9.077 1.00 0.00 C ATOM 0 HA PRO A 40 1.682 11.538 12.182 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.684 12.872 11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.861 13.640 11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.987 12.247 9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.157 13.780 9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.892 11.520 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.946 12.751 8.826 1.00 0.00 H new ATOM 608 N GLY A 41 -0.520 9.504 10.997 1.00 0.00 N ATOM 609 CA GLY A 41 -1.251 8.296 11.384 1.00 0.00 C ATOM 610 C GLY A 41 -0.378 7.242 12.090 1.00 0.00 C ATOM 611 O GLY A 41 -0.921 6.282 12.630 1.00 0.00 O ATOM 0 H GLY A 41 -0.438 9.632 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.072 8.575 12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.695 7.850 10.494 1.00 0.00 H new ATOM 615 N GLY A 42 0.956 7.387 12.063 1.00 0.00 N ATOM 616 CA GLY A 42 1.914 6.446 12.639 1.00 0.00 C ATOM 617 C GLY A 42 2.507 5.543 11.556 1.00 0.00 C ATOM 618 O GLY A 42 1.941 5.429 10.464 1.00 0.00 O ATOM 0 H GLY A 42 1.406 8.190 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.713 6.994 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.421 5.837 13.397 1.00 0.00 H new ATOM 622 N GLU A 43 3.626 4.874 11.850 1.00 0.00 N ATOM 623 CA GLU A 43 4.124 3.826 10.958 1.00 0.00 C ATOM 624 C GLU A 43 3.380 2.544 11.222 1.00 0.00 C ATOM 625 O GLU A 43 2.962 1.814 10.321 1.00 0.00 O ATOM 626 CB GLU A 43 5.615 3.541 11.156 1.00 0.00 C ATOM 627 CG GLU A 43 6.168 2.869 12.422 1.00 0.00 C ATOM 628 CD GLU A 43 6.297 1.363 12.315 1.00 0.00 C ATOM 629 OE1 GLU A 43 5.825 0.786 11.313 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.912 0.753 13.220 1.00 0.00 O ATOM 0 H GLU A 43 4.194 5.035 12.682 1.00 0.00 H new ATOM 0 HA GLU A 43 3.969 4.184 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.929 2.924 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.130 4.497 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.147 3.292 12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.516 3.109 13.262 1.00 0.00 H new ATOM 635 N GLU A 44 3.193 2.302 12.511 1.00 0.00 N ATOM 636 CA GLU A 44 2.787 1.028 12.988 1.00 0.00 C ATOM 637 C GLU A 44 1.416 0.690 12.437 1.00 0.00 C ATOM 638 O GLU A 44 1.147 -0.441 12.071 1.00 0.00 O ATOM 639 CB GLU A 44 2.750 0.964 14.520 1.00 0.00 C ATOM 640 CG GLU A 44 3.835 1.769 15.265 1.00 0.00 C ATOM 641 CD GLU A 44 3.480 3.249 15.474 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.613 4.030 14.499 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.058 3.567 16.604 1.00 0.00 O ATOM 0 H GLU A 44 3.324 3.000 13.243 1.00 0.00 H new ATOM 0 HA GLU A 44 3.524 0.302 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.774 1.316 14.853 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.832 -0.080 14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.013 1.308 16.236 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.769 1.705 14.706 1.00 0.00 H new ATOM 648 N HIS A 45 0.570 1.715 12.365 1.00 0.00 N ATOM 649 CA HIS A 45 -0.772 1.659 11.828 1.00 0.00 C ATOM 650 C HIS A 45 -0.816 1.484 10.305 1.00 0.00 C ATOM 651 O HIS A 45 -1.812 1.015 9.761 1.00 0.00 O ATOM 652 CB HIS A 45 -1.473 2.931 12.301 1.00 0.00 C ATOM 653 CG HIS A 45 -2.927 3.012 11.925 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.885 2.053 12.153 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.540 4.079 11.333 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.052 2.535 11.702 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.899 3.774 11.198 1.00 0.00 N ATOM 0 H HIS A 45 0.821 2.646 12.697 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.288 0.771 12.194 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.386 2.998 13.385 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.953 3.794 11.885 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.735 1.142 12.586 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.061 4.996 11.024 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.990 2.001 11.738 1.00 0.00 H new ATOM 664 N LEU A 46 0.274 1.802 9.605 1.00 0.00 N ATOM 665 CA LEU A 46 0.409 1.423 8.206 1.00 0.00 C ATOM 666 C LEU A 46 0.852 -0.036 8.155 1.00 0.00 C ATOM 667 O LEU A 46 0.313 -0.815 7.376 1.00 0.00 O ATOM 668 CB LEU A 46 1.406 2.335 7.473 1.00 0.00 C ATOM 669 CG LEU A 46 0.948 3.797 7.367 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.092 4.653 6.813 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.262 3.935 6.438 1.00 0.00 C ATOM 0 H LEU A 46 1.068 2.317 9.984 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.548 1.539 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.364 2.301 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.573 1.943 6.470 1.00 0.00 H new ATOM 0 HG LEU A 46 0.665 4.134 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.767 5.691 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.951 4.589 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.374 4.289 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.562 4.982 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.002 3.582 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.089 3.340 6.826 1.00 0.00 H new ATOM 682 N ARG A 47 1.790 -0.426 9.024 1.00 0.00 N ATOM 683 CA ARG A 47 2.338 -1.784 9.023 1.00 0.00 C ATOM 684 C ARG A 47 1.242 -2.803 9.343 1.00 0.00 C ATOM 685 O ARG A 47 1.104 -3.840 8.699 1.00 0.00 O ATOM 686 CB ARG A 47 3.493 -1.874 10.021 1.00 0.00 C ATOM 687 CG ARG A 47 4.234 -3.203 9.780 1.00 0.00 C ATOM 688 CD ARG A 47 5.209 -3.647 10.872 1.00 0.00 C ATOM 689 NE ARG A 47 6.416 -2.805 10.931 1.00 0.00 N ATOM 690 CZ ARG A 47 6.710 -1.911 11.879 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.848 -1.607 12.837 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.878 -1.290 11.888 1.00 0.00 N ATOM 0 H ARG A 47 2.186 0.183 9.740 1.00 0.00 H new ATOM 0 HA ARG A 47 2.724 -2.017 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.172 -1.031 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.117 -1.828 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.491 -3.989 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.785 -3.122 8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.704 -3.620 11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.501 -4.682 10.694 1.00 0.00 H new ATOM 0 HE ARG A 47 7.092 -2.915 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.934 -2.059 12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.098 -0.921 13.549 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.568 -1.491 11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.088 -0.610 12.618 1.00 0.00 H new ATOM 703 N GLU A 48 0.463 -2.457 10.359 1.00 0.00 N ATOM 704 CA GLU A 48 -0.803 -3.084 10.741 1.00 0.00 C ATOM 705 C GLU A 48 -1.624 -3.539 9.519 1.00 0.00 C ATOM 706 O GLU A 48 -2.008 -4.702 9.416 1.00 0.00 O ATOM 707 CB GLU A 48 -1.576 -2.035 11.547 1.00 0.00 C ATOM 708 CG GLU A 48 -3.005 -2.423 11.963 1.00 0.00 C ATOM 709 CD GLU A 48 -3.854 -1.174 12.146 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.621 -0.459 13.145 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.675 -0.903 11.244 1.00 0.00 O ATOM 0 H GLU A 48 0.710 -1.685 10.978 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.613 -3.986 11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.006 -1.805 12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.626 -1.118 10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.451 -3.067 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.979 -2.994 12.891 1.00 0.00 H new ATOM 716 N GLN A 49 -1.887 -2.611 8.592 1.00 0.00 N ATOM 717 CA GLN A 49 -2.652 -2.882 7.375 1.00 0.00 C ATOM 718 C GLN A 49 -1.808 -3.572 6.301 1.00 0.00 C ATOM 719 O GLN A 49 -2.315 -4.351 5.500 1.00 0.00 O ATOM 720 CB GLN A 49 -3.110 -1.560 6.750 1.00 0.00 C ATOM 721 CG GLN A 49 -4.164 -0.759 7.508 1.00 0.00 C ATOM 722 CD GLN A 49 -5.463 -1.517 7.728 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.139 -1.887 6.778 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.868 -1.712 8.972 1.00 0.00 N ATOM 0 H GLN A 49 -1.571 -1.644 8.668 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.483 -3.522 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.233 -0.926 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.499 -1.774 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.757 -0.463 8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.377 0.158 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.291 -1.397 9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.757 -2.178 9.152 1.00 0.00 H new ATOM 731 N ALA A 50 -0.534 -3.186 6.241 1.00 0.00 N ATOM 732 CA ALA A 50 0.385 -3.471 5.155 1.00 0.00 C ATOM 733 C ALA A 50 0.442 -4.921 4.672 1.00 0.00 C ATOM 734 O ALA A 50 0.056 -5.879 5.338 1.00 0.00 O ATOM 735 CB ALA A 50 1.790 -3.017 5.557 1.00 0.00 C ATOM 0 H ALA A 50 -0.101 -2.641 6.986 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.009 -2.915 4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.487 -3.228 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.782 -1.946 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.103 -3.553 6.453 1.00 0.00 H new ATOM 741 N GLY A 51 0.979 -5.064 3.465 1.00 0.00 N ATOM 742 CA GLY A 51 0.984 -6.327 2.738 1.00 0.00 C ATOM 743 C GLY A 51 -0.250 -6.469 1.840 1.00 0.00 C ATOM 744 O GLY A 51 -0.389 -7.451 1.115 1.00 0.00 O ATOM 0 H GLY A 51 1.427 -4.299 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.886 -6.393 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.016 -7.155 3.447 1.00 0.00 H new ATOM 748 N GLY A 52 -1.120 -5.453 1.853 1.00 0.00 N ATOM 749 CA GLY A 52 -2.232 -5.276 0.941 1.00 0.00 C ATOM 750 C GLY A 52 -3.298 -4.371 1.561 1.00 0.00 C ATOM 751 O GLY A 52 -3.015 -3.672 2.529 1.00 0.00 O ATOM 0 H GLY A 52 -1.056 -4.700 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.877 -4.842 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.667 -6.245 0.697 1.00 0.00 H new ATOM 755 N ASP A 53 -4.471 -4.335 0.926 1.00 0.00 N ATOM 756 CA ASP A 53 -5.727 -3.712 1.317 1.00 0.00 C ATOM 757 C ASP A 53 -5.678 -2.909 2.614 1.00 0.00 C ATOM 758 O ASP A 53 -5.758 -3.418 3.729 1.00 0.00 O ATOM 759 CB ASP A 53 -6.933 -4.650 1.247 1.00 0.00 C ATOM 760 CG ASP A 53 -8.237 -3.845 1.296 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.156 -2.597 1.427 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.295 -4.491 1.170 1.00 0.00 O ATOM 0 H ASP A 53 -4.569 -4.797 0.022 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.882 -2.964 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.894 -5.236 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.902 -5.356 2.077 1.00 0.00 H new ATOM 766 N ALA A 54 -5.579 -1.613 2.383 1.00 0.00 N ATOM 767 CA ALA A 54 -5.711 -0.569 3.368 1.00 0.00 C ATOM 768 C ALA A 54 -6.655 0.478 2.784 1.00 0.00 C ATOM 769 O ALA A 54 -6.663 1.631 3.207 1.00 0.00 O ATOM 770 CB ALA A 54 -4.283 -0.104 3.613 1.00 0.00 C ATOM 0 H ALA A 54 -5.394 -1.246 1.449 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.147 -0.852 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.283 0.695 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.686 -0.939 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.856 0.265 2.681 1.00 0.00 H new ATOM 776 N THR A 55 -7.476 0.055 1.812 1.00 0.00 N ATOM 777 CA THR A 55 -8.422 0.887 1.094 1.00 0.00 C ATOM 778 C THR A 55 -9.515 1.300 2.070 1.00 0.00 C ATOM 779 O THR A 55 -9.769 2.488 2.265 1.00 0.00 O ATOM 780 CB THR A 55 -8.980 0.076 -0.087 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.964 -0.223 -1.019 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.078 0.831 -0.838 1.00 0.00 C ATOM 0 H THR A 55 -7.491 -0.916 1.501 1.00 0.00 H new ATOM 0 HA THR A 55 -7.957 1.788 0.694 1.00 0.00 H new ATOM 0 HB THR A 55 -9.392 -0.836 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.149 -0.484 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.441 0.219 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.901 1.048 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.675 1.765 -1.229 1.00 0.00 H new ATOM 790 N GLU A 56 -10.108 0.308 2.741 1.00 0.00 N ATOM 791 CA GLU A 56 -11.109 0.558 3.765 1.00 0.00 C ATOM 792 C GLU A 56 -10.553 1.471 4.863 1.00 0.00 C ATOM 793 O GLU A 56 -11.135 2.512 5.153 1.00 0.00 O ATOM 794 CB GLU A 56 -11.648 -0.780 4.287 1.00 0.00 C ATOM 795 CG GLU A 56 -12.837 -0.561 5.237 1.00 0.00 C ATOM 796 CD GLU A 56 -13.565 -1.862 5.557 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.136 -2.531 6.521 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.533 -2.161 4.827 1.00 0.00 O ATOM 0 H GLU A 56 -9.906 -0.680 2.587 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.954 1.099 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.958 -1.404 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.856 -1.317 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.482 -0.108 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.536 0.143 4.785 1.00 0.00 H new ATOM 803 N ASN A 57 -9.376 1.149 5.416 1.00 0.00 N ATOM 804 CA ASN A 57 -8.768 1.979 6.454 1.00 0.00 C ATOM 805 C ASN A 57 -8.479 3.417 5.966 1.00 0.00 C ATOM 806 O ASN A 57 -8.727 4.391 6.678 1.00 0.00 O ATOM 807 CB ASN A 57 -7.539 1.264 7.054 1.00 0.00 C ATOM 808 CG ASN A 57 -7.821 0.849 8.496 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.330 -0.234 8.750 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.526 1.702 9.465 1.00 0.00 N ATOM 0 H ASN A 57 -8.832 0.325 5.161 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.488 2.107 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.293 0.386 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.673 1.925 7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.723 1.459 10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.102 2.602 9.241 1.00 0.00 H new ATOM 816 N PHE A 58 -7.992 3.559 4.729 1.00 0.00 N ATOM 817 CA PHE A 58 -7.708 4.855 4.107 1.00 0.00 C ATOM 818 C PHE A 58 -8.943 5.766 3.954 1.00 0.00 C ATOM 819 O PHE A 58 -8.785 6.984 4.050 1.00 0.00 O ATOM 820 CB PHE A 58 -7.017 4.613 2.761 1.00 0.00 C ATOM 821 CG PHE A 58 -6.504 5.842 2.036 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.410 6.552 2.564 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.951 6.126 0.731 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.770 7.543 1.799 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.273 7.073 -0.056 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.195 7.798 0.484 1.00 0.00 C ATOM 0 H PHE A 58 -7.781 2.765 4.124 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.048 5.404 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.177 3.938 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.718 4.097 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.060 6.335 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.816 5.615 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.952 8.108 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.580 7.244 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.695 8.549 -0.111 1.00 0.00 H new ATOM 835 N GLU A 59 -10.132 5.178 3.744 1.00 0.00 N ATOM 836 CA GLU A 59 -11.456 5.761 3.535 1.00 0.00 C ATOM 837 C GLU A 59 -12.246 5.935 4.845 1.00 0.00 C ATOM 838 O GLU A 59 -12.984 6.906 4.982 1.00 0.00 O ATOM 839 CB GLU A 59 -12.222 4.911 2.511 1.00 0.00 C ATOM 840 CG GLU A 59 -11.580 4.969 1.110 1.00 0.00 C ATOM 841 CD GLU A 59 -11.646 6.341 0.454 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.772 7.182 0.767 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.512 6.523 -0.423 1.00 0.00 O ATOM 0 H GLU A 59 -10.188 4.160 3.714 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.328 6.770 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.254 3.876 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.253 5.259 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.536 4.665 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.076 4.245 0.464 1.00 0.00 H new ATOM 848 N ASP A 60 -12.078 5.029 5.814 1.00 0.00 N ATOM 849 CA ASP A 60 -12.573 5.197 7.178 1.00 0.00 C ATOM 850 C ASP A 60 -12.000 6.501 7.758 1.00 0.00 C ATOM 851 O ASP A 60 -12.737 7.392 8.177 1.00 0.00 O ATOM 852 CB ASP A 60 -12.179 3.959 7.989 1.00 0.00 C ATOM 853 CG ASP A 60 -12.570 4.106 9.449 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.745 3.818 9.757 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.680 4.518 10.224 1.00 0.00 O ATOM 0 H ASP A 60 -11.587 4.147 5.667 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.659 5.282 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.663 3.077 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.103 3.799 7.913 1.00 0.00 H new ATOM 859 N VAL A 61 -10.671 6.640 7.695 1.00 0.00 N ATOM 860 CA VAL A 61 -10.009 7.916 7.957 1.00 0.00 C ATOM 861 C VAL A 61 -10.411 8.917 6.860 1.00 0.00 C ATOM 862 O VAL A 61 -10.778 10.056 7.136 1.00 0.00 O ATOM 863 CB VAL A 61 -8.487 7.703 8.010 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.755 9.038 8.200 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.121 6.763 9.166 1.00 0.00 C ATOM 0 H VAL A 61 -10.033 5.879 7.463 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.318 8.322 8.920 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.179 7.258 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.680 8.862 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.987 9.702 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.077 9.500 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.041 6.621 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.452 7.199 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.610 5.800 9.020 1.00 0.00 H new ATOM 875 N GLY A 62 -10.340 8.466 5.604 1.00 0.00 N ATOM 876 CA GLY A 62 -10.835 9.145 4.414 1.00 0.00 C ATOM 877 C GLY A 62 -10.068 10.429 4.111 1.00 0.00 C ATOM 878 O GLY A 62 -10.549 11.552 4.233 1.00 0.00 O ATOM 0 H GLY A 62 -9.911 7.567 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.763 8.472 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.891 9.379 4.546 1.00 0.00 H new ATOM 882 N HIS A 63 -8.841 10.193 3.651 1.00 0.00 N ATOM 883 CA HIS A 63 -7.765 11.153 3.459 1.00 0.00 C ATOM 884 CB HIS A 63 -6.547 10.348 3.026 1.00 0.00 C ATOM 885 CG HIS A 63 -5.945 9.571 4.157 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.503 8.520 4.848 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.694 9.785 4.648 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.582 8.104 5.735 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.452 8.832 5.635 1.00 0.00 N ATOM 0 H HIS A 63 -8.555 9.251 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.833 9.662 2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.797 11.022 2.612 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.436 8.131 4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.010 10.557 4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.728 7.294 6.435 1.00 0.00 H new ATOM 896 N SER A 64 -7.451 13.437 2.689 1.00 0.00 N ATOM 897 CA SER A 64 -7.545 14.643 1.868 1.00 0.00 C ATOM 898 C SER A 64 -6.933 14.477 0.469 1.00 0.00 C ATOM 899 O SER A 64 -5.973 13.733 0.286 1.00 0.00 O ATOM 900 CB SER A 64 -6.820 15.788 2.586 1.00 0.00 C ATOM 901 OG SER A 64 -7.464 16.078 3.809 1.00 0.00 O ATOM 0 HA SER A 64 -8.606 14.854 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.781 15.513 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.808 16.675 1.953 1.00 0.00 H new ATOM 0 HG SER A 64 -6.812 16.037 4.540 1.00 0.00 H new ATOM 906 N THR A 65 -7.439 15.231 -0.513 1.00 0.00 N ATOM 907 CA THR A 65 -6.910 15.315 -1.882 1.00 0.00 C ATOM 908 C THR A 65 -5.378 15.388 -1.922 1.00 0.00 C ATOM 909 O THR A 65 -4.743 14.580 -2.594 1.00 0.00 O ATOM 910 CB THR A 65 -7.486 16.558 -2.573 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.286 17.677 -1.732 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.987 16.419 -2.839 1.00 0.00 C ATOM 0 H THR A 65 -8.258 15.822 -0.373 1.00 0.00 H new ATOM 0 HA THR A 65 -7.210 14.404 -2.400 1.00 0.00 H new ATOM 0 HB THR A 65 -6.977 16.678 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.648 18.479 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.355 17.320 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.164 15.558 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.513 16.280 -1.894 1.00 0.00 H new ATOM 920 N ASP A 66 -4.787 16.319 -1.171 1.00 0.00 N ATOM 921 CA ASP A 66 -3.352 16.416 -0.909 1.00 0.00 C ATOM 922 C ASP A 66 -2.665 15.040 -0.774 1.00 0.00 C ATOM 923 O ASP A 66 -1.697 14.728 -1.467 1.00 0.00 O ATOM 924 CB ASP A 66 -3.198 17.247 0.368 1.00 0.00 C ATOM 925 CG ASP A 66 -1.739 17.402 0.759 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.254 16.495 1.467 1.00 0.00 O ATOM 927 OD2 ASP A 66 -1.145 18.413 0.328 1.00 0.00 O ATOM 0 H ASP A 66 -5.319 17.057 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.855 16.889 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.642 18.231 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.745 16.771 1.182 1.00 0.00 H new ATOM 931 N ALA A 67 -3.224 14.179 0.076 1.00 0.00 N ATOM 932 CA ALA A 67 -2.715 12.842 0.344 1.00 0.00 C ATOM 933 C ALA A 67 -2.958 11.891 -0.838 1.00 0.00 C ATOM 934 O ALA A 67 -2.147 11.009 -1.106 1.00 0.00 O ATOM 935 CB ALA A 67 -3.358 12.319 1.629 1.00 0.00 C ATOM 0 H ALA A 67 -4.065 14.402 0.609 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.634 12.891 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.985 11.317 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.108 12.982 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.441 12.284 1.506 1.00 0.00 H new ATOM 941 N ARG A 68 -4.054 12.073 -1.582 1.00 0.00 N ATOM 942 CA ARG A 68 -4.336 11.298 -2.788 1.00 0.00 C ATOM 943 C ARG A 68 -3.249 11.579 -3.822 1.00 0.00 C ATOM 944 O ARG A 68 -2.629 10.665 -4.371 1.00 0.00 O ATOM 945 CB ARG A 68 -5.711 11.690 -3.364 1.00 0.00 C ATOM 946 CG ARG A 68 -6.865 11.693 -2.351 1.00 0.00 C ATOM 947 CD ARG A 68 -7.312 10.293 -1.957 1.00 0.00 C ATOM 948 NE ARG A 68 -8.188 10.350 -0.771 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.011 9.390 -0.345 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.163 8.243 -0.985 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.711 9.571 0.758 1.00 0.00 N ATOM 0 H ARG A 68 -4.771 12.765 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.350 10.237 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.633 12.684 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.959 11.001 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.556 12.235 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.712 12.233 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.842 9.826 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.442 9.672 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.162 11.209 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.639 8.064 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.804 7.537 -0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.622 10.442 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.341 8.840 1.088 1.00 0.00 H new ATOM 962 N GLU A 69 -3.007 12.873 -4.024 1.00 0.00 N ATOM 963 CA GLU A 69 -1.995 13.407 -4.914 1.00 0.00 C ATOM 964 C GLU A 69 -0.612 12.921 -4.476 1.00 0.00 C ATOM 965 O GLU A 69 0.143 12.371 -5.275 1.00 0.00 O ATOM 966 CB GLU A 69 -2.149 14.932 -4.947 1.00 0.00 C ATOM 967 CG GLU A 69 -1.206 15.642 -5.941 1.00 0.00 C ATOM 968 CD GLU A 69 -1.215 15.128 -7.378 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.268 14.680 -7.886 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.133 15.128 -8.004 1.00 0.00 O ATOM 0 H GLU A 69 -3.537 13.603 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.118 13.048 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.180 15.176 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.968 15.326 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.463 16.701 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.188 15.566 -5.558 1.00 0.00 H new ATOM 975 N LEU A 70 -0.314 13.002 -3.176 1.00 0.00 N ATOM 976 CA LEU A 70 0.905 12.419 -2.637 1.00 0.00 C ATOM 977 C LEU A 70 1.029 10.950 -3.028 1.00 0.00 C ATOM 978 O LEU A 70 2.083 10.482 -3.451 1.00 0.00 O ATOM 979 CB LEU A 70 0.980 12.522 -1.100 1.00 0.00 C ATOM 980 CG LEU A 70 2.305 11.965 -0.543 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.526 12.351 -1.366 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.597 12.461 0.868 1.00 0.00 C ATOM 0 H LEU A 70 -0.902 13.466 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 70 1.726 12.994 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.872 13.565 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.145 11.977 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 70 2.151 10.886 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.420 11.923 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.416 11.970 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.617 13.437 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.541 12.040 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.665 13.549 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.794 12.150 1.536 1.00 0.00 H new ATOM 993 N SER A 71 -0.060 10.191 -2.924 1.00 0.00 N ATOM 994 CA SER A 71 0.051 8.759 -2.994 1.00 0.00 C ATOM 995 C SER A 71 0.572 8.267 -4.355 1.00 0.00 C ATOM 996 O SER A 71 1.185 7.206 -4.454 1.00 0.00 O ATOM 997 CB SER A 71 -1.308 8.161 -2.592 1.00 0.00 C ATOM 998 OG SER A 71 -2.137 7.979 -3.726 1.00 0.00 O ATOM 0 H SER A 71 -1.007 10.547 -2.794 1.00 0.00 H new ATOM 0 HA SER A 71 0.809 8.409 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.155 7.205 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.802 8.819 -1.878 1.00 0.00 H new ATOM 0 HG SER A 71 -2.391 8.853 -4.089 1.00 0.00 H new ATOM 1003 N LYS A 72 0.440 9.096 -5.391 1.00 0.00 N ATOM 1004 CA LYS A 72 1.058 8.881 -6.705 1.00 0.00 C ATOM 1005 C LYS A 72 2.564 8.589 -6.571 1.00 0.00 C ATOM 1006 O LYS A 72 3.103 7.730 -7.263 1.00 0.00 O ATOM 1007 CB LYS A 72 0.817 10.115 -7.593 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.677 10.455 -7.665 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.961 11.873 -8.168 1.00 0.00 C ATOM 1010 CE LYS A 72 -0.741 12.158 -9.651 1.00 0.00 C ATOM 1011 NZ LYS A 72 -0.973 13.601 -9.880 1.00 0.00 N ATOM 0 H LYS A 72 -0.110 9.954 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 72 0.598 8.009 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.369 10.967 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.200 9.926 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.172 9.740 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.116 10.335 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.998 12.111 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.337 12.562 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.272 11.884 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.422 11.562 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.064 13.780 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.847 13.893 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.171 14.146 -9.503 1.00 0.00 H new ATOM 1021 N THR A 73 3.218 9.286 -5.639 1.00 0.00 N ATOM 1022 CA THR A 73 4.641 9.112 -5.286 1.00 0.00 C ATOM 1023 C THR A 73 4.950 7.869 -4.442 1.00 0.00 C ATOM 1024 O THR A 73 6.100 7.457 -4.312 1.00 0.00 O ATOM 1025 CB THR A 73 5.196 10.396 -4.628 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.448 10.720 -5.193 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.399 10.316 -3.105 1.00 0.00 C ATOM 0 H THR A 73 2.762 10.013 -5.087 1.00 0.00 H new ATOM 0 HA THR A 73 5.157 8.935 -6.229 1.00 0.00 H new ATOM 0 HB THR A 73 4.433 11.151 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.795 11.535 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.791 11.265 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.445 10.107 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.105 9.519 -2.873 1.00 0.00 H new ATOM 1035 N PHE A 74 3.917 7.282 -3.850 1.00 0.00 N ATOM 1036 CA PHE A 74 3.969 6.154 -2.931 1.00 0.00 C ATOM 1037 C PHE A 74 3.548 4.850 -3.607 1.00 0.00 C ATOM 1038 O PHE A 74 3.840 3.756 -3.123 1.00 0.00 O ATOM 1039 CB PHE A 74 3.020 6.502 -1.802 1.00 0.00 C ATOM 1040 CG PHE A 74 3.491 7.501 -0.772 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.828 7.950 -0.685 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.574 7.860 0.224 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.208 8.827 0.344 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.945 8.754 1.231 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.238 9.284 1.249 1.00 0.00 C ATOM 0 H PHE A 74 2.962 7.602 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 74 4.986 5.990 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.099 6.884 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.765 5.579 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.557 7.619 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.577 7.444 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.236 9.146 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.234 9.035 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.493 10.051 1.965 1.00 0.00 H new ATOM 1054 N ILE A 75 2.821 4.971 -4.710 1.00 0.00 N ATOM 1055 CA ILE A 75 2.408 3.846 -5.520 1.00 0.00 C ATOM 1056 C ILE A 75 3.591 3.173 -6.204 1.00 0.00 C ATOM 1057 O ILE A 75 4.604 3.793 -6.521 1.00 0.00 O ATOM 1058 CB ILE A 75 1.427 4.370 -6.593 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.038 4.346 -5.971 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.443 3.644 -7.949 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.062 4.691 -6.953 1.00 0.00 C ATOM 0 H ILE A 75 2.500 5.870 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 75 1.937 3.102 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 75 1.752 5.375 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.151 3.355 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.007 5.050 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.713 4.103 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.436 3.720 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.191 2.594 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.026 4.656 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.896 5.693 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.056 3.973 -7.773 1.00 0.00 H new ATOM 1072 N ILE A 76 3.379 1.896 -6.506 1.00 0.00 N ATOM 1073 CA ILE A 76 4.224 1.095 -7.377 1.00 0.00 C ATOM 1074 C ILE A 76 3.438 0.500 -8.563 1.00 0.00 C ATOM 1075 O ILE A 76 4.023 0.252 -9.615 1.00 0.00 O ATOM 1076 CB ILE A 76 4.958 0.034 -6.552 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.936 -0.889 -5.878 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.872 0.700 -5.514 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.654 -1.979 -5.079 1.00 0.00 C ATOM 0 H ILE A 76 2.585 1.374 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 76 4.975 1.743 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 76 5.587 -0.565 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.291 -0.309 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.293 -1.344 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.386 -0.068 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.607 1.324 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.273 1.318 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.917 -2.628 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.280 -2.569 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.277 -1.518 -4.313 1.00 0.00 H new ATOM 1090 N GLY A 77 2.118 0.293 -8.424 1.00 0.00 N ATOM 1091 CA GLY A 77 1.253 -0.086 -9.541 1.00 0.00 C ATOM 1092 C GLY A 77 -0.115 -0.601 -9.085 1.00 0.00 C ATOM 1093 O GLY A 77 -0.853 0.143 -8.445 1.00 0.00 O ATOM 0 H GLY A 77 1.627 0.385 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.112 0.775 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.748 -0.857 -10.132 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.447 -1.859 -9.395 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.709 -2.521 -9.043 1.00 0.00 C ATOM 1099 C GLU A 78 -1.473 -3.878 -8.371 1.00 0.00 C ATOM 1100 O GLU A 78 -0.394 -4.461 -8.448 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.554 -2.748 -10.299 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.420 -1.542 -10.696 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.507 -1.952 -11.679 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.429 -2.668 -11.216 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.364 -1.632 -12.880 1.00 0.00 O ATOM 0 H GLU A 78 0.181 -2.469 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.228 -1.866 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.893 -2.997 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.201 -3.610 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.875 -1.107 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.793 -0.770 -11.143 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.544 -4.424 -7.794 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.550 -5.729 -7.131 1.00 0.00 C ATOM 1112 C LEU A 79 -2.696 -6.929 -8.032 1.00 0.00 C ATOM 1113 O LEU A 79 -2.893 -8.014 -7.514 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.598 -5.717 -6.011 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.928 -6.462 -6.296 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.037 -7.575 -5.260 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.095 -5.489 -6.202 1.00 0.00 C ATOM 0 H LEU A 79 -3.452 -3.961 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.550 -5.862 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.148 -6.153 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.833 -4.679 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.949 -6.885 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.961 -8.131 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.186 -8.249 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.042 -7.142 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.027 -6.018 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.131 -5.059 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.964 -4.692 -6.935 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.602 -6.724 -9.344 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.836 -7.720 -10.375 1.00 0.00 C ATOM 1130 C HIS A 80 -4.317 -8.006 -10.576 1.00 0.00 C ATOM 1131 O HIS A 80 -5.155 -7.718 -9.712 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.980 -8.941 -10.093 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.770 -9.931 -11.186 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.253 -11.205 -11.268 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.905 -9.738 -12.218 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.814 -11.714 -12.433 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.978 -10.856 -13.048 1.00 0.00 N ATOM 0 H HIS A 80 -2.348 -5.815 -9.730 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.521 -7.331 -11.343 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.999 -8.591 -9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.424 -9.469 -9.249 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.835 -11.680 -10.578 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.275 -8.874 -12.368 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.094 -12.681 -12.823 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.678 -8.481 -11.770 1.00 0.00 N ATOM 1145 CA PRO A 81 -6.015 -8.955 -12.003 1.00 0.00 C ATOM 1146 C PRO A 81 -6.225 -10.435 -11.746 1.00 0.00 C ATOM 1147 O PRO A 81 -7.363 -10.882 -11.863 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.274 -8.682 -13.465 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.904 -8.773 -14.122 1.00 0.00 C ATOM 1150 CD PRO A 81 -4.002 -8.214 -13.037 1.00 0.00 C ATOM 0 HA PRO A 81 -6.689 -8.450 -11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.965 -9.411 -13.888 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.719 -7.698 -13.612 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.643 -9.799 -14.383 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.851 -8.187 -15.040 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.021 -8.689 -13.063 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.842 -7.145 -13.176 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.190 -11.173 -11.350 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.465 -12.578 -10.945 1.00 0.00 C ATOM 1157 C ASP A 82 -5.594 -12.644 -9.421 1.00 0.00 C ATOM 1158 O ASP A 82 -5.275 -13.628 -8.756 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.437 -13.535 -11.570 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.877 -14.994 -11.593 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.092 -15.233 -11.763 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.970 -15.849 -11.510 1.00 0.00 O ATOM 0 H ASP A 82 -4.218 -10.867 -11.297 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.421 -12.924 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.231 -13.213 -12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.501 -13.458 -11.016 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.116 -11.532 -8.906 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.005 -11.112 -7.559 1.00 0.00 C ATOM 1168 C ASP A 83 -7.252 -10.268 -7.238 1.00 0.00 C ATOM 1169 O ASP A 83 -8.124 -10.710 -6.493 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.717 -10.294 -7.730 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.440 -11.122 -7.661 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -3.019 -11.574 -8.752 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.873 -11.257 -6.558 1.00 0.00 O ATOM 0 H ASP A 83 -6.655 -10.879 -9.474 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.959 -11.848 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.752 -9.779 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.682 -9.526 -6.957 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.344 -9.102 -7.898 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.450 -8.135 -7.829 1.00 0.00 C ATOM 1179 C ARG A 84 -9.103 -7.959 -6.437 1.00 0.00 C ATOM 1180 O ARG A 84 -10.353 -7.893 -6.389 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.506 -8.463 -8.898 1.00 0.00 C ATOM 1182 CG ARG A 84 -9.175 -8.329 -10.376 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.823 -6.893 -10.826 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.498 -6.445 -10.354 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.930 -5.245 -10.516 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.533 -4.236 -11.120 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.698 -5.038 -10.093 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.351 -7.804 -5.451 1.00 0.00 O ATOM 0 H ARG A 84 -6.606 -8.792 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.994 -7.166 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.824 -9.492 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.370 -7.827 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.336 -8.985 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.026 -8.681 -10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.850 -6.843 -11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.585 -6.206 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.948 -7.135 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.477 -4.353 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.055 -3.340 -11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.180 -5.793 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.264 -4.123 -10.216 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.710 8.575 6.518 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.519 11.267 8.568 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.240 10.816 4.256 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.276 6.003 4.262 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.238 6.436 8.769 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.363 10.644 6.463 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.835 11.521 7.388 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.627 12.850 6.878 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.874 12.742 5.734 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.779 11.333 5.430 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.378 13.901 4.901 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.390 14.067 7.343 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.886 13.987 7.040 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.248 14.383 5.608 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.123 15.589 5.311 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.681 13.498 4.836 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.841 8.423 4.663 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.287 9.461 3.939 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.806 8.918 2.693 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.062 7.571 2.740 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.774 7.262 3.947 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.303 9.712 1.515 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.421 6.520 1.867 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.812 6.376 0.588 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.174 6.583 6.507 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.949 5.734 5.449 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.577 4.474 5.759 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.029 4.594 7.052 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.818 5.936 7.524 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.748 3.295 4.824 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.867 3.580 7.785 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.314 2.436 8.233 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.652 8.807 8.382 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.161 7.785 9.120 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.647 8.352 10.359 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.532 9.722 10.259 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.851 9.994 9.016 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.197 7.591 11.542 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.975 10.751 11.282 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.428 10.662 11.740 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.744 11.742 12.766 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.673 12.927 12.376 1.00 0.00 O HETATM 1242 O2D HEM A 201 -7.032 11.362 13.921 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.506 13.589 4.326 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.104 14.728 5.555 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.166 14.223 4.220 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.446 9.130 0.977 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.144 10.642 1.867 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.134 9.939 0.848 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.833 3.654 3.798 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.650 2.746 5.093 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.884 2.636 4.907 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.989 8.143 12.458 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.725 6.610 11.595 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.274 7.470 11.428 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.348 5.617 -0.041 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.593 7.019 0.181 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.926 1.706 8.763 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.255 2.241 8.066 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.423 14.635 7.733 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.230 12.969 7.224 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.975 14.954 6.864 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.249 14.189 8.417 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.618 9.679 12.171 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.091 10.766 10.881 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.807 11.744 10.864 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.333 10.661 12.158 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.811 12.110 9.176 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.766 11.494 3.562 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.137 5.200 3.554 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.641 5.741 9.491 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.360 5.877 2.273 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.926 3.773 7.954 1.00 0.00 H new