USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 659 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 64 SER OG : rot -113:sc= 1.07 USER MOD Set 1.2: A 65 THR OG1 : rot 63:sc= 1.25 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.92 K(o=-1.2,f=-9.2) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.76 K(o=-1.2,f=-7.6!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= -0.318 K(o=-1.2,f=-7.3!) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -1.01 (180deg=-0.717) USER MOD Set 3.1: A 20 SER OG : rot -138:sc= 1.25 USER MOD Set 3.2: A 33 THR OG1 : rot -90:sc= -0.0731 USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 1.51 (180deg=1.47) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 140:sc= 1.15 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 13 GLN : amide:sc= -1.73! K(o=-1.7!,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 1.86 (180deg=0.566!) USER MOD Single : A 15 HIS : no HD1:sc= -0.845 K(o=-0.85,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= 0.679 K(o=0.68,f=-2.7!) USER MOD Single : A 17 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.3) 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 21 THR OG1 : rot -100:sc=-0.00417 USER MOD Single : A 26 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.52) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.868 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 1.29 (180deg=1.18) USER MOD Single : A 30 TYR OH : rot 38:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.953 (180deg=-0.797!) USER MOD Single : A 55 THR OG1 : rot 97:sc= 1.87 USER MOD Single : A 71 SER OG : rot -51:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.747 (180deg=-2.12!) USER MOD Single : A 73 THR OG1 : rot 126:sc= 1.25 USER MOD Single : A 80 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-1.1) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.108 (180deg=-0.387) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.13 (180deg=-2.26) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.128 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -3.980 20.237 2.479 1.00 10.00 N ATOM 2 CA ALA A 3 -4.833 19.463 3.397 1.00 10.00 C ATOM 3 C ALA A 3 -4.561 17.991 3.123 1.00 10.00 C ATOM 4 O ALA A 3 -3.513 17.699 2.551 1.00 10.00 O ATOM 5 CB ALA A 3 -4.555 19.820 4.860 1.00 10.00 C ATOM 0 HA ALA A 3 -5.884 19.696 3.227 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -5.203 19.229 5.508 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -3.513 19.605 5.095 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -4.752 20.880 5.019 1.00 10.00 H new ATOM 13 N VAL A 4 -5.502 17.104 3.456 1.00 10.00 N ATOM 14 CA VAL A 4 -5.550 15.778 2.848 1.00 10.00 C ATOM 15 C VAL A 4 -5.799 15.929 1.341 1.00 10.00 C ATOM 16 O VAL A 4 -6.028 17.041 0.858 1.00 10.00 O ATOM 17 CB VAL A 4 -6.622 14.909 3.528 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.205 14.550 4.958 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.016 15.542 3.518 1.00 10.00 C ATOM 0 H VAL A 4 -6.237 17.282 4.141 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.597 15.268 2.990 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.694 13.998 2.934 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.978 13.935 5.419 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.267 13.996 4.935 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.073 15.463 5.539 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.722 14.875 4.014 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.986 16.496 4.045 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.334 15.706 2.488 1.00 10.00 H new ATOM 29 N LYS A 5 -5.750 14.824 0.596 1.00 10.00 N ATOM 30 CA LYS A 5 -5.873 14.822 -0.856 1.00 10.00 C ATOM 31 C LYS A 5 -7.119 14.012 -1.201 1.00 10.00 C ATOM 32 O LYS A 5 -7.943 14.425 -2.017 1.00 10.00 O ATOM 33 CB LYS A 5 -4.577 14.227 -1.439 1.00 10.00 C ATOM 34 CG LYS A 5 -4.245 14.590 -2.895 1.00 10.00 C ATOM 35 CD LYS A 5 -5.182 13.951 -3.930 1.00 10.00 C ATOM 36 CE LYS A 5 -6.301 14.895 -4.400 1.00 10.00 C ATOM 37 NZ LYS A 5 -7.567 14.168 -4.627 1.00 10.00 N ATOM 0 H LYS A 5 -5.622 13.893 0.993 1.00 10.00 H new ATOM 0 HA LYS A 5 -5.991 15.818 -1.282 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -3.744 14.544 -0.811 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.637 13.141 -1.364 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.284 15.674 -3.006 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.221 14.284 -3.110 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.597 13.634 -4.793 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -5.629 13.054 -3.501 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -6.457 15.674 -3.654 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -5.996 15.392 -5.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -8.303 14.838 -4.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -7.428 13.452 -5.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -7.862 13.701 -3.746 1.00 10.00 H new ATOM 51 N TYR A 6 -7.233 12.851 -0.565 1.00 10.00 N ATOM 52 CA TYR A 6 -8.188 11.804 -0.807 1.00 10.00 C ATOM 53 C TYR A 6 -8.252 11.314 -2.244 1.00 10.00 C ATOM 54 O TYR A 6 -8.034 12.018 -3.232 1.00 10.00 O ATOM 55 CB TYR A 6 -9.588 12.080 -0.247 1.00 10.00 C ATOM 56 CG TYR A 6 -9.785 11.882 1.235 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.876 10.568 1.706 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.043 12.949 2.111 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.985 10.309 3.075 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.286 12.683 3.474 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.182 11.372 3.968 1.00 10.00 C ATOM 62 OH TYR A 6 -10.316 11.131 5.301 1.00 10.00 O ATOM 0 H TYR A 6 -6.599 12.609 0.197 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.778 10.978 -0.226 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.853 13.109 -0.489 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.295 11.437 -0.771 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.862 9.746 1.005 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.055 13.965 1.744 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.918 9.296 3.443 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.553 13.490 4.141 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.444 11.979 5.775 1.00 10.00 H new ATOM 72 N TYR A 7 -8.543 10.028 -2.289 1.00 10.00 N ATOM 73 CA TYR A 7 -8.464 9.129 -3.392 1.00 10.00 C ATOM 74 C TYR A 7 -9.593 8.128 -3.184 1.00 10.00 C ATOM 75 O TYR A 7 -9.843 7.654 -2.075 1.00 10.00 O ATOM 76 CB TYR A 7 -7.089 8.479 -3.267 1.00 10.00 C ATOM 77 CG TYR A 7 -5.936 9.031 -4.093 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.077 10.127 -4.976 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.643 8.622 -3.728 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.953 10.885 -5.346 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.533 9.408 -4.061 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.700 10.589 -4.793 1.00 10.00 C ATOM 83 OH TYR A 7 -2.725 11.540 -4.771 1.00 10.00 O ATOM 0 H TYR A 7 -8.876 9.549 -1.452 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.568 9.579 -4.379 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.796 8.528 -2.218 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.199 7.424 -3.519 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.051 10.382 -5.367 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.504 7.697 -3.188 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.055 11.694 -6.055 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.545 9.102 -3.752 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.245 11.497 -3.918 1.00 10.00 H new ATOM 93 N THR A 8 -10.336 7.878 -4.248 1.00 10.00 N ATOM 94 CA THR A 8 -11.580 7.143 -4.198 1.00 10.00 C ATOM 95 C THR A 8 -11.274 5.653 -4.314 1.00 10.00 C ATOM 96 O THR A 8 -10.283 5.278 -4.936 1.00 10.00 O ATOM 97 CB THR A 8 -12.451 7.641 -5.354 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.673 7.633 -6.533 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.905 9.080 -5.091 1.00 10.00 C ATOM 0 H THR A 8 -10.084 8.188 -5.187 1.00 10.00 H new ATOM 0 HA THR A 8 -12.113 7.298 -3.260 1.00 10.00 H new ATOM 0 HB THR A 8 -13.324 6.996 -5.452 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.216 7.948 -7.285 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.524 9.424 -5.920 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.483 9.116 -4.167 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.032 9.726 -4.998 1.00 10.00 H new ATOM 107 N LEU A 9 -12.121 4.790 -3.751 1.00 10.00 N ATOM 108 CA LEU A 9 -12.002 3.347 -3.945 1.00 10.00 C ATOM 109 C LEU A 9 -11.916 3.010 -5.435 1.00 10.00 C ATOM 110 O LEU A 9 -11.075 2.208 -5.832 1.00 10.00 O ATOM 111 CB LEU A 9 -13.112 2.641 -3.159 1.00 10.00 C ATOM 112 CG LEU A 9 -13.434 1.189 -3.557 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.035 0.462 -2.347 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.444 1.102 -4.711 1.00 10.00 C ATOM 0 H LEU A 9 -12.900 5.069 -3.154 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.067 2.964 -3.536 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.839 2.651 -2.104 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.024 3.230 -3.257 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.501 0.731 -3.886 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.266 -0.568 -2.619 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.318 0.468 -1.526 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.948 0.969 -2.035 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.634 0.056 -4.950 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.377 1.582 -4.415 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.039 1.607 -5.588 1.00 10.00 H new ATOM 126 N GLU A 10 -12.718 3.704 -6.253 1.00 10.00 N ATOM 127 CA GLU A 10 -12.640 3.695 -7.709 1.00 10.00 C ATOM 128 C GLU A 10 -11.183 3.687 -8.179 1.00 10.00 C ATOM 129 O GLU A 10 -10.760 2.772 -8.889 1.00 10.00 O ATOM 130 CB GLU A 10 -13.381 4.933 -8.238 1.00 10.00 C ATOM 131 CG GLU A 10 -13.478 5.002 -9.768 1.00 10.00 C ATOM 132 CD GLU A 10 -14.273 3.846 -10.353 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.503 3.840 -10.150 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.626 2.981 -10.985 1.00 10.00 O ATOM 0 H GLU A 10 -13.463 4.306 -5.901 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.107 2.790 -8.099 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.388 4.946 -7.820 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.874 5.828 -7.877 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.945 5.943 -10.057 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.474 5.001 -10.193 1.00 10.00 H new ATOM 141 N GLU A 11 -10.419 4.705 -7.777 1.00 10.00 N ATOM 142 CA GLU A 11 -9.009 4.819 -8.120 1.00 10.00 C ATOM 143 C GLU A 11 -8.210 3.722 -7.442 1.00 10.00 C ATOM 144 O GLU A 11 -7.383 3.062 -8.065 1.00 10.00 O ATOM 145 CB GLU A 11 -8.442 6.165 -7.647 1.00 10.00 C ATOM 146 CG GLU A 11 -8.964 7.359 -8.456 1.00 10.00 C ATOM 147 CD GLU A 11 -8.309 7.464 -9.828 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.718 6.689 -10.720 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.415 8.328 -9.956 1.00 10.00 O ATOM 0 H GLU A 11 -10.766 5.473 -7.203 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.929 4.737 -9.204 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.694 6.309 -6.596 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.354 6.137 -7.713 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.043 7.267 -8.578 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.783 8.278 -7.899 1.00 10.00 H new ATOM 156 N ILE A 12 -8.403 3.573 -6.136 1.00 10.00 N ATOM 157 CA ILE A 12 -7.510 2.760 -5.344 1.00 10.00 C ATOM 158 C ILE A 12 -7.475 1.342 -5.904 1.00 10.00 C ATOM 159 O ILE A 12 -6.394 0.799 -6.112 1.00 10.00 O ATOM 160 CB ILE A 12 -7.899 2.817 -3.854 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.687 4.226 -3.275 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.102 1.807 -3.023 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.564 4.493 -2.051 1.00 10.00 C ATOM 0 H ILE A 12 -9.166 4.004 -5.614 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.496 3.155 -5.405 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.957 2.562 -3.798 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.639 4.349 -3.001 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.905 4.968 -4.043 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.404 1.877 -1.978 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.297 0.799 -3.390 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.037 2.025 -3.108 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.376 5.501 -1.681 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.614 4.398 -2.328 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.328 3.770 -1.270 1.00 10.00 H new ATOM 175 N GLN A 13 -8.647 0.778 -6.209 1.00 10.00 N ATOM 176 CA GLN A 13 -8.744 -0.559 -6.782 1.00 10.00 C ATOM 177 C GLN A 13 -7.946 -0.625 -8.079 1.00 10.00 C ATOM 178 O GLN A 13 -7.179 -1.552 -8.327 1.00 10.00 O ATOM 179 CB GLN A 13 -10.205 -0.887 -7.103 1.00 10.00 C ATOM 180 CG GLN A 13 -11.026 -1.197 -5.848 1.00 10.00 C ATOM 181 CD GLN A 13 -12.476 -1.522 -6.194 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.164 -2.054 -5.298 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.868 -1.246 -7.351 1.00 10.00 N ATOM 0 H GLN A 13 -9.547 1.235 -6.065 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.350 -1.273 -6.059 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.656 -0.046 -7.629 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.242 -1.742 -7.778 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.580 -2.039 -5.319 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.995 -0.343 -5.172 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.229 -0.810 -8.016 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.826 -1.457 -7.629 1.00 10.00 H new ATOM 190 N LYS A 14 -8.178 0.381 -8.917 1.00 10.00 N ATOM 191 CA LYS A 14 -7.578 0.535 -10.224 1.00 10.00 C ATOM 192 C LYS A 14 -6.047 0.483 -10.108 1.00 10.00 C ATOM 193 O LYS A 14 -5.370 -0.195 -10.884 1.00 10.00 O ATOM 194 CB LYS A 14 -8.070 1.882 -10.774 1.00 10.00 C ATOM 195 CG LYS A 14 -8.217 1.973 -12.290 1.00 10.00 C ATOM 196 CD LYS A 14 -9.465 1.244 -12.826 1.00 10.00 C ATOM 197 CE LYS A 14 -10.808 1.946 -12.531 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.401 1.630 -11.211 1.00 10.00 N ATOM 0 H LYS A 14 -8.819 1.141 -8.687 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.863 -0.269 -10.902 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.036 2.106 -10.321 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.378 2.659 -10.449 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.265 3.022 -12.581 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.329 1.552 -12.760 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.363 1.126 -13.905 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.494 0.242 -12.397 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.660 3.024 -12.598 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.522 1.674 -13.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.434 1.738 -11.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.167 0.651 -10.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.019 2.280 -10.494 1.00 10.00 H new ATOM 212 N HIS A 15 -5.496 1.204 -9.129 1.00 10.00 N ATOM 213 CA HIS A 15 -4.064 1.252 -8.879 1.00 10.00 C ATOM 214 C HIS A 15 -3.569 -0.020 -8.180 1.00 10.00 C ATOM 215 O HIS A 15 -3.145 -0.003 -7.025 1.00 10.00 O ATOM 216 CB HIS A 15 -3.707 2.509 -8.089 1.00 10.00 C ATOM 217 CG HIS A 15 -3.684 3.773 -8.910 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.592 4.590 -9.082 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.710 4.306 -9.642 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.948 5.582 -9.913 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.225 5.444 -10.293 1.00 10.00 N ATOM 0 H HIS A 15 -6.042 1.775 -8.484 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.551 1.299 -9.840 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.425 2.630 -7.278 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.728 2.370 -7.630 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.715 3.917 -9.705 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.295 6.381 -10.231 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.741 6.049 -10.931 1.00 10.00 H new ATOM 229 N ASN A 16 -3.549 -1.119 -8.927 1.00 10.00 N ATOM 230 CA ASN A 16 -2.847 -2.348 -8.551 1.00 10.00 C ATOM 231 C ASN A 16 -2.309 -3.103 -9.769 1.00 10.00 C ATOM 232 O ASN A 16 -2.027 -4.303 -9.699 1.00 10.00 O ATOM 233 CB ASN A 16 -3.717 -3.217 -7.632 1.00 10.00 C ATOM 234 CG ASN A 16 -4.925 -3.861 -8.306 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.096 -3.796 -9.521 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.763 -4.514 -7.506 1.00 10.00 N ATOM 0 H ASN A 16 -4.027 -1.185 -9.826 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.965 -2.069 -7.975 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.095 -4.004 -7.206 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.067 -2.604 -6.802 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.580 -4.983 -7.897 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.588 -4.546 -6.502 1.00 10.00 H new ATOM 243 N ASN A 17 -2.128 -2.396 -10.891 1.00 10.00 N ATOM 244 CA ASN A 17 -1.776 -3.004 -12.166 1.00 10.00 C ATOM 245 C ASN A 17 -0.782 -2.140 -12.938 1.00 10.00 C ATOM 246 O ASN A 17 -1.059 -1.681 -14.045 1.00 10.00 O ATOM 247 CB ASN A 17 -3.052 -3.279 -12.973 1.00 10.00 C ATOM 248 CG ASN A 17 -2.756 -4.055 -14.256 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.719 -4.701 -14.380 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.670 -4.014 -15.221 1.00 10.00 N ATOM 0 H ASN A 17 -2.224 -1.381 -10.933 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.277 -3.955 -11.982 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.755 -3.844 -12.361 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -3.535 -2.334 -13.223 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.518 -4.527 -16.089 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.523 -3.470 -15.093 1.00 10.00 H new ATOM 257 N SER A 18 0.393 -1.908 -12.345 1.00 10.00 N ATOM 258 CA SER A 18 1.608 -1.417 -13.003 1.00 10.00 C ATOM 259 C SER A 18 1.579 0.107 -13.102 1.00 10.00 C ATOM 260 O SER A 18 2.530 0.775 -12.707 1.00 10.00 O ATOM 261 CB SER A 18 1.840 -2.107 -14.359 1.00 10.00 C ATOM 262 OG SER A 18 3.167 -1.888 -14.793 1.00 10.00 O ATOM 0 H SER A 18 0.529 -2.065 -11.346 1.00 10.00 H new ATOM 0 HA SER A 18 2.469 -1.682 -12.389 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.650 -3.177 -14.269 1.00 10.00 H new ATOM 0 HB3 SER A 18 1.139 -1.720 -15.098 1.00 10.00 H new ATOM 0 HG SER A 18 3.307 -2.332 -15.656 1.00 10.00 H new ATOM 268 N LYS A 19 0.437 0.632 -13.556 1.00 10.00 N ATOM 269 CA LYS A 19 -0.065 1.975 -13.306 1.00 10.00 C ATOM 270 C LYS A 19 0.572 2.620 -12.073 1.00 10.00 C ATOM 271 O LYS A 19 1.217 3.659 -12.177 1.00 10.00 O ATOM 272 CB LYS A 19 -1.582 1.839 -13.103 1.00 10.00 C ATOM 273 CG LYS A 19 -2.384 1.759 -14.410 1.00 10.00 C ATOM 274 CD LYS A 19 -2.278 3.047 -15.246 1.00 10.00 C ATOM 275 CE LYS A 19 -1.398 2.853 -16.493 1.00 10.00 C ATOM 276 NZ LYS A 19 -1.076 4.138 -17.148 1.00 10.00 N ATOM 0 H LYS A 19 -0.197 0.092 -14.144 1.00 10.00 H new ATOM 0 HA LYS A 19 0.183 2.623 -14.147 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.780 0.945 -12.512 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.938 2.690 -12.522 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -2.027 0.916 -15.001 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -3.431 1.565 -14.179 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.275 3.364 -15.552 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -1.864 3.846 -14.631 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -0.474 2.349 -16.210 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -1.912 2.203 -17.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -0.482 3.963 -17.983 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -1.956 4.608 -17.442 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -0.563 4.749 -16.481 1.00 10.00 H new ATOM 290 N SER A 20 0.344 1.991 -10.923 1.00 10.00 N ATOM 291 CA SER A 20 0.926 2.247 -9.628 1.00 10.00 C ATOM 292 C SER A 20 0.256 1.205 -8.731 1.00 10.00 C ATOM 293 O SER A 20 -0.817 0.709 -9.089 1.00 10.00 O ATOM 294 CB SER A 20 0.660 3.675 -9.136 1.00 10.00 C ATOM 295 OG SER A 20 1.861 4.405 -9.012 1.00 10.00 O ATOM 0 H SER A 20 -0.318 1.216 -10.881 1.00 10.00 H new ATOM 0 HA SER A 20 2.013 2.169 -9.638 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.007 4.184 -9.832 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.151 3.641 -8.173 1.00 10.00 H new ATOM 0 HG SER A 20 1.840 4.932 -8.186 1.00 10.00 H new ATOM 301 N THR A 21 0.887 0.843 -7.619 1.00 10.00 N ATOM 302 CA THR A 21 0.380 -0.174 -6.706 1.00 10.00 C ATOM 303 C THR A 21 0.069 0.437 -5.337 1.00 10.00 C ATOM 304 O THR A 21 0.974 0.659 -4.536 1.00 10.00 O ATOM 305 CB THR A 21 1.378 -1.330 -6.655 1.00 10.00 C ATOM 306 OG1 THR A 21 1.513 -1.853 -7.964 1.00 10.00 O ATOM 307 CG2 THR A 21 0.874 -2.443 -5.737 1.00 10.00 C ATOM 0 H THR A 21 1.774 1.252 -7.324 1.00 10.00 H new ATOM 0 HA THR A 21 -0.567 -0.578 -7.064 1.00 10.00 H new ATOM 0 HB THR A 21 2.331 -0.964 -6.272 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.970 -2.664 -8.050 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.601 -3.255 -5.717 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.740 -2.051 -4.729 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.079 -2.819 -6.110 1.00 10.00 H new ATOM 315 N TRP A 22 -1.220 0.694 -5.091 1.00 10.00 N ATOM 316 CA TRP A 22 -1.766 1.412 -3.945 1.00 10.00 C ATOM 317 C TRP A 22 -2.280 0.429 -2.901 1.00 10.00 C ATOM 318 O TRP A 22 -2.725 -0.651 -3.258 1.00 10.00 O ATOM 319 CB TRP A 22 -2.913 2.306 -4.442 1.00 10.00 C ATOM 320 CG TRP A 22 -2.481 3.568 -5.136 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.241 3.814 -5.602 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.265 4.742 -5.504 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.194 5.038 -6.227 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.435 5.645 -6.235 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.592 5.144 -5.277 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.924 6.851 -6.763 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.115 6.308 -5.863 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.292 7.149 -6.629 1.00 10.00 C ATOM 0 H TRP A 22 -1.952 0.385 -5.730 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.990 2.020 -3.481 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.534 1.728 -5.126 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.540 2.573 -3.591 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.401 3.143 -5.499 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.351 5.445 -6.632 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.224 4.545 -4.638 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.260 7.539 -7.264 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.156 6.558 -5.724 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.707 8.021 -7.113 1.00 10.00 H new ATOM 339 N LEU A 23 -2.272 0.786 -1.616 1.00 10.00 N ATOM 340 CA LEU A 23 -3.002 0.039 -0.596 1.00 10.00 C ATOM 341 C LEU A 23 -3.488 0.997 0.485 1.00 10.00 C ATOM 342 O LEU A 23 -2.962 2.106 0.587 1.00 10.00 O ATOM 343 CB LEU A 23 -2.190 -1.132 -0.001 1.00 10.00 C ATOM 344 CG LEU A 23 -0.735 -1.326 -0.442 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.122 -0.460 0.463 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.334 -2.799 -0.299 1.00 10.00 C ATOM 0 H LEU A 23 -1.764 1.594 -1.257 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.862 -0.426 -1.078 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.193 -1.017 1.083 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.728 -2.053 -0.226 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.603 -1.044 -1.487 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.170 -0.568 0.184 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.176 0.583 0.358 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.011 -0.773 1.499 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.701 -2.927 -0.615 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.436 -3.104 0.742 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.982 -3.415 -0.923 1.00 10.00 H new ATOM 358 N ILE A 24 -4.486 0.575 1.274 1.00 10.00 N ATOM 359 CA ILE A 24 -4.958 1.328 2.434 1.00 10.00 C ATOM 360 C ILE A 24 -4.330 0.745 3.692 1.00 10.00 C ATOM 361 O ILE A 24 -4.478 -0.449 3.940 1.00 10.00 O ATOM 362 CB ILE A 24 -6.499 1.317 2.574 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.284 1.448 1.258 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.936 2.422 3.544 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.693 0.859 1.390 1.00 10.00 C ATOM 0 H ILE A 24 -4.987 -0.300 1.122 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.659 2.367 2.293 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.744 0.326 2.957 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.352 2.499 0.975 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.747 0.937 0.459 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.022 2.412 3.641 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.483 2.249 4.520 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.614 3.390 3.161 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.223 0.967 0.443 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.623 -0.198 1.648 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.237 1.388 2.172 1.00 10.00 H new ATOM 377 N LEU A 25 -3.651 1.594 4.469 1.00 10.00 N ATOM 378 CA LEU A 25 -3.024 1.244 5.740 1.00 10.00 C ATOM 379 C LEU A 25 -3.458 2.303 6.762 1.00 10.00 C ATOM 380 O LEU A 25 -2.865 3.374 6.857 1.00 10.00 O ATOM 381 CB LEU A 25 -1.495 1.180 5.585 1.00 10.00 C ATOM 382 CG LEU A 25 -0.906 -0.210 5.286 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.351 -0.790 3.945 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.626 -0.153 5.283 1.00 10.00 C ATOM 0 H LEU A 25 -3.520 2.574 4.220 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.337 0.257 6.079 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.202 1.857 4.783 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.040 1.556 6.502 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.282 -0.858 6.078 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.896 -1.770 3.804 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.436 -0.889 3.933 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.038 -0.125 3.139 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.027 -1.144 5.070 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.963 0.547 4.518 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.980 0.179 6.259 1.00 10.00 H new ATOM 396 N HIS A 26 -4.512 2.042 7.533 1.00 10.00 N ATOM 397 CA HIS A 26 -5.043 2.987 8.511 1.00 10.00 C ATOM 398 C HIS A 26 -5.651 4.199 7.790 1.00 10.00 C ATOM 399 O HIS A 26 -5.375 5.355 8.122 1.00 10.00 O ATOM 400 CB HIS A 26 -3.986 3.391 9.564 1.00 10.00 C ATOM 401 CG HIS A 26 -3.066 2.281 10.021 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.319 1.361 11.015 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.812 2.019 9.531 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.246 0.554 11.104 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.306 0.914 10.215 1.00 10.00 N ATOM 0 H HIS A 26 -5.025 1.161 7.495 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.839 2.495 9.070 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.378 4.197 9.153 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.502 3.794 10.436 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.306 2.571 8.753 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.153 -0.270 11.796 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.401 0.467 10.069 1.00 10.00 H new ATOM 413 N TYR A 27 -6.469 3.933 6.768 1.00 10.00 N ATOM 414 CA TYR A 27 -7.278 4.903 6.026 1.00 10.00 C ATOM 415 C TYR A 27 -6.496 5.896 5.161 1.00 10.00 C ATOM 416 O TYR A 27 -7.068 6.483 4.243 1.00 10.00 O ATOM 417 CB TYR A 27 -8.300 5.586 6.947 1.00 10.00 C ATOM 418 CG TYR A 27 -9.199 4.601 7.670 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.877 3.617 6.930 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.333 4.627 9.070 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.603 2.610 7.575 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.161 3.686 9.710 1.00 10.00 C ATOM 423 CZ TYR A 27 -10.772 2.661 8.967 1.00 10.00 C ATOM 424 OH TYR A 27 -11.739 1.900 9.554 1.00 10.00 O ATOM 0 H TYR A 27 -6.591 2.983 6.417 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.821 4.314 5.286 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.770 6.192 7.682 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.915 6.265 6.357 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.837 3.639 5.851 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.802 5.366 9.652 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.031 1.798 7.005 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.327 3.752 10.775 1.00 10.00 H new ATOM 0 HH TYR A 27 -11.728 2.047 10.523 1.00 10.00 H new ATOM 434 N LYS A 28 -5.194 6.071 5.402 1.00 10.00 N ATOM 435 CA LYS A 28 -4.338 6.673 4.390 1.00 10.00 C ATOM 436 C LYS A 28 -4.188 5.688 3.228 1.00 10.00 C ATOM 437 O LYS A 28 -4.442 4.493 3.394 1.00 10.00 O ATOM 438 CB LYS A 28 -2.980 7.073 4.981 1.00 10.00 C ATOM 439 CG LYS A 28 -2.923 8.544 5.385 1.00 10.00 C ATOM 440 CD LYS A 28 -3.979 8.898 6.432 1.00 10.00 C ATOM 441 CE LYS A 28 -3.601 8.381 7.831 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.774 7.912 8.596 1.00 10.00 N ATOM 0 H LYS A 28 -4.723 5.810 6.268 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.794 7.591 4.020 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.771 6.453 5.853 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.197 6.871 4.251 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.933 8.772 5.779 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.066 9.167 4.502 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.106 9.980 6.468 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.939 8.474 6.136 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.886 7.565 7.732 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.103 9.176 8.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.741 8.306 9.558 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.645 8.226 8.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.763 6.873 8.647 1.00 10.00 H new ATOM 456 N VAL A 29 -3.752 6.200 2.076 1.00 10.00 N ATOM 457 CA VAL A 29 -3.482 5.452 0.858 1.00 10.00 C ATOM 458 C VAL A 29 -1.995 5.581 0.533 1.00 10.00 C ATOM 459 O VAL A 29 -1.401 6.652 0.698 1.00 10.00 O ATOM 460 CB VAL A 29 -4.370 5.953 -0.282 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.015 5.303 -1.614 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.824 5.575 -0.028 1.00 10.00 C ATOM 0 H VAL A 29 -3.570 7.198 1.967 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.718 4.397 0.996 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.219 7.032 -0.323 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.671 5.689 -2.394 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.979 5.531 -1.866 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.140 4.223 -1.537 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.443 5.939 -0.848 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.912 4.491 0.040 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.159 6.025 0.907 1.00 10.00 H new ATOM 472 N TYR A 30 -1.407 4.454 0.131 1.00 10.00 N ATOM 473 CA TYR A 30 0.014 4.172 0.205 1.00 10.00 C ATOM 474 C TYR A 30 0.451 3.564 -1.123 1.00 10.00 C ATOM 475 O TYR A 30 0.018 2.453 -1.418 1.00 10.00 O ATOM 476 CB TYR A 30 0.183 3.152 1.340 1.00 10.00 C ATOM 477 CG TYR A 30 0.010 3.738 2.725 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.284 3.971 3.209 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.110 3.997 3.556 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.478 4.403 4.521 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.906 4.429 4.882 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.390 4.604 5.373 1.00 10.00 C ATOM 483 OH TYR A 30 -0.601 4.864 6.694 1.00 10.00 O ATOM 0 H TYR A 30 -1.938 3.682 -0.272 1.00 10.00 H new ATOM 0 HA TYR A 30 0.612 5.064 0.393 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.541 2.349 1.204 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.174 2.704 1.267 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.135 3.815 2.563 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.114 3.865 3.180 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.480 4.584 4.882 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.755 4.625 5.521 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.357 4.329 7.016 1.00 10.00 H new ATOM 493 N ASP A 31 1.271 4.270 -1.913 1.00 10.00 N ATOM 494 CA ASP A 31 1.770 3.761 -3.194 1.00 10.00 C ATOM 495 C ASP A 31 3.110 3.087 -2.971 1.00 10.00 C ATOM 496 O ASP A 31 3.928 3.623 -2.226 1.00 10.00 O ATOM 497 CB ASP A 31 1.998 4.878 -4.214 1.00 10.00 C ATOM 498 CG ASP A 31 1.924 4.371 -5.650 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.242 3.184 -5.875 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.464 5.159 -6.511 1.00 10.00 O ATOM 0 H ASP A 31 1.605 5.206 -1.682 1.00 10.00 H new ATOM 0 HA ASP A 31 1.017 3.073 -3.579 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.252 5.659 -4.067 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.974 5.332 -4.041 1.00 10.00 H new ATOM 505 N LEU A 32 3.349 1.950 -3.618 1.00 10.00 N ATOM 506 CA LEU A 32 4.569 1.185 -3.433 1.00 10.00 C ATOM 507 C LEU A 32 5.410 1.171 -4.708 1.00 10.00 C ATOM 508 O LEU A 32 6.535 1.664 -4.700 1.00 10.00 O ATOM 509 CB LEU A 32 4.228 -0.231 -2.937 1.00 10.00 C ATOM 510 CG LEU A 32 3.405 -0.257 -1.640 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.360 -1.671 -1.060 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.894 0.632 -0.500 1.00 10.00 C ATOM 0 H LEU A 32 2.698 1.536 -4.286 1.00 10.00 H new ATOM 0 HA LEU A 32 5.180 1.666 -2.669 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.675 -0.755 -3.717 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.155 -0.782 -2.778 1.00 10.00 H new ATOM 0 HG LEU A 32 2.438 0.123 -1.970 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.773 -1.669 -0.142 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.902 -2.346 -1.783 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.374 -2.007 -0.842 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.229 0.524 0.357 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.904 0.336 -0.215 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.899 1.672 -0.826 1.00 10.00 H new ATOM 524 N THR A 33 4.879 0.574 -5.779 1.00 10.00 N ATOM 525 CA THR A 33 5.464 0.384 -7.110 1.00 10.00 C ATOM 526 C THR A 33 6.979 0.112 -7.184 1.00 10.00 C ATOM 527 O THR A 33 7.373 -0.998 -7.522 1.00 10.00 O ATOM 528 CB THR A 33 4.952 1.479 -8.045 1.00 10.00 C ATOM 529 OG1 THR A 33 3.563 1.264 -8.128 1.00 10.00 O ATOM 530 CG2 THR A 33 5.534 1.399 -9.460 1.00 10.00 C ATOM 0 H THR A 33 3.942 0.174 -5.732 1.00 10.00 H new ATOM 0 HA THR A 33 5.105 -0.581 -7.467 1.00 10.00 H new ATOM 0 HB THR A 33 5.240 2.454 -7.653 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.370 0.657 -8.873 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.126 2.207 -10.067 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.619 1.493 -9.413 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.272 0.440 -9.908 1.00 10.00 H new ATOM 538 N LYS A 34 7.851 1.075 -6.880 1.00 10.00 N ATOM 539 CA LYS A 34 9.283 0.797 -6.783 1.00 10.00 C ATOM 540 C LYS A 34 9.545 -0.182 -5.633 1.00 10.00 C ATOM 541 O LYS A 34 10.410 -1.053 -5.714 1.00 10.00 O ATOM 542 CB LYS A 34 10.059 2.108 -6.570 1.00 10.00 C ATOM 543 CG LYS A 34 11.585 1.898 -6.635 1.00 10.00 C ATOM 544 CD LYS A 34 12.348 2.422 -5.405 1.00 10.00 C ATOM 545 CE LYS A 34 12.013 1.648 -4.119 1.00 10.00 C ATOM 546 NZ LYS A 34 12.913 1.997 -2.999 1.00 10.00 N ATOM 0 H LYS A 34 7.593 2.045 -6.698 1.00 10.00 H new ATOM 0 HA LYS A 34 9.626 0.341 -7.712 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.761 2.832 -7.328 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.793 2.533 -5.602 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.789 0.833 -6.749 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.971 2.393 -7.526 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.420 2.357 -5.594 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.113 3.477 -5.260 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.982 1.856 -3.831 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.080 0.578 -4.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.488 1.686 -2.102 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.830 1.524 -3.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.055 3.027 -2.976 1.00 10.00 H new ATOM 560 N PHE A 35 8.801 -0.023 -4.535 1.00 10.00 N ATOM 561 CA PHE A 35 9.055 -0.736 -3.296 1.00 10.00 C ATOM 562 C PHE A 35 8.806 -2.224 -3.481 1.00 10.00 C ATOM 563 O PHE A 35 9.396 -3.047 -2.800 1.00 10.00 O ATOM 564 CB PHE A 35 8.156 -0.206 -2.173 1.00 10.00 C ATOM 565 CG PHE A 35 8.606 -0.673 -0.809 1.00 10.00 C ATOM 566 CD1 PHE A 35 9.912 -0.387 -0.374 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.822 -1.594 -0.095 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.480 -1.110 0.686 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.382 -2.302 0.976 1.00 10.00 C ATOM 570 CZ PHE A 35 9.727 -2.102 1.335 1.00 10.00 C ATOM 0 H PHE A 35 8.002 0.610 -4.488 1.00 10.00 H new ATOM 0 HA PHE A 35 10.098 -0.576 -3.023 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.151 0.884 -2.198 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.131 -0.533 -2.347 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.481 0.393 -0.858 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.790 -1.756 -0.371 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.492 -0.904 1.002 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.777 -3.005 1.529 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.179 -2.708 2.106 1.00 10.00 H new ATOM 580 N LEU A 36 7.922 -2.556 -4.417 1.00 10.00 N ATOM 581 CA LEU A 36 7.561 -3.905 -4.796 1.00 10.00 C ATOM 582 C LEU A 36 8.791 -4.796 -4.967 1.00 10.00 C ATOM 583 O LEU A 36 8.793 -5.950 -4.545 1.00 10.00 O ATOM 584 CB LEU A 36 6.798 -3.797 -6.115 1.00 10.00 C ATOM 585 CG LEU A 36 5.489 -3.011 -6.064 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.815 -3.208 -7.424 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.559 -3.469 -4.943 1.00 10.00 C ATOM 0 H LEU A 36 7.417 -1.852 -4.954 1.00 10.00 H new ATOM 0 HA LEU A 36 6.954 -4.364 -4.016 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.451 -3.331 -6.853 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.581 -4.804 -6.471 1.00 10.00 H new ATOM 0 HG LEU A 36 5.703 -1.963 -5.855 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.870 -2.665 -7.444 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.467 -2.830 -8.211 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.627 -4.269 -7.587 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.647 -2.872 -4.960 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.308 -4.520 -5.085 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.058 -3.342 -3.982 1.00 10.00 H new ATOM 599 N GLU A 37 9.825 -4.242 -5.602 1.00 10.00 N ATOM 600 CA GLU A 37 11.080 -4.918 -5.875 1.00 10.00 C ATOM 601 C GLU A 37 11.882 -5.060 -4.573 1.00 10.00 C ATOM 602 O GLU A 37 12.312 -6.148 -4.200 1.00 10.00 O ATOM 603 CB GLU A 37 11.787 -4.085 -6.957 1.00 10.00 C ATOM 604 CG GLU A 37 12.920 -4.826 -7.670 1.00 10.00 C ATOM 605 CD GLU A 37 14.212 -4.906 -6.863 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.430 -3.988 -6.044 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.971 -5.868 -7.111 1.00 10.00 O ATOM 0 H GLU A 37 9.805 -3.283 -5.948 1.00 10.00 H new ATOM 0 HA GLU A 37 10.950 -5.935 -6.244 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.051 -3.769 -7.696 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.189 -3.181 -6.500 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.588 -5.837 -7.906 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.126 -4.329 -8.618 1.00 10.00 H new ATOM 614 N GLU A 38 12.026 -3.938 -3.867 1.00 10.00 N ATOM 615 CA GLU A 38 12.800 -3.787 -2.641 1.00 10.00 C ATOM 616 C GLU A 38 12.263 -4.682 -1.513 1.00 10.00 C ATOM 617 O GLU A 38 13.013 -5.176 -0.672 1.00 10.00 O ATOM 618 CB GLU A 38 12.732 -2.298 -2.266 1.00 10.00 C ATOM 619 CG GLU A 38 13.895 -1.768 -1.421 1.00 10.00 C ATOM 620 CD GLU A 38 13.904 -0.251 -1.504 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.976 0.387 -0.960 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.705 0.304 -2.289 1.00 10.00 O ATOM 0 H GLU A 38 11.581 -3.066 -4.153 1.00 10.00 H new ATOM 0 HA GLU A 38 13.832 -4.103 -2.794 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.680 -1.714 -3.185 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.804 -2.122 -1.723 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.787 -2.089 -0.385 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.840 -2.172 -1.783 1.00 10.00 H new ATOM 629 N HIS A 39 10.941 -4.841 -1.468 1.00 10.00 N ATOM 630 CA HIS A 39 10.194 -5.468 -0.397 1.00 10.00 C ATOM 631 C HIS A 39 10.609 -6.932 -0.193 1.00 10.00 C ATOM 632 O HIS A 39 10.409 -7.737 -1.100 1.00 10.00 O ATOM 633 CB HIS A 39 8.700 -5.394 -0.748 1.00 10.00 C ATOM 634 CG HIS A 39 7.818 -6.005 0.311 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.745 -6.838 0.093 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.835 -5.685 1.639 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.104 -6.965 1.270 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.730 -6.278 2.248 1.00 10.00 N ATOM 0 H HIS A 39 10.337 -4.516 -2.222 1.00 10.00 H new ATOM 0 HA HIS A 39 10.402 -4.941 0.534 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.417 -4.351 -0.892 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.529 -5.905 -1.696 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.485 -7.276 -0.791 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.578 -5.076 2.133 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.203 -7.543 1.413 1.00 10.00 H new ATOM 646 N PRO A 40 11.082 -7.330 1.002 1.00 10.00 N ATOM 647 CA PRO A 40 11.333 -8.727 1.339 1.00 10.00 C ATOM 648 C PRO A 40 10.150 -9.657 1.042 1.00 10.00 C ATOM 649 O PRO A 40 10.348 -10.774 0.570 1.00 10.00 O ATOM 650 CB PRO A 40 11.698 -8.729 2.826 1.00 10.00 C ATOM 651 CG PRO A 40 12.350 -7.359 3.004 1.00 10.00 C ATOM 652 CD PRO A 40 11.498 -6.470 2.099 1.00 10.00 C ATOM 0 HA PRO A 40 12.135 -9.125 0.717 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.819 -8.846 3.460 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.382 -9.540 3.076 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.322 -7.028 4.042 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.397 -7.364 2.699 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.637 -6.072 2.636 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.069 -5.616 1.735 1.00 10.00 H new ATOM 660 N GLY A 41 8.917 -9.209 1.305 1.00 10.00 N ATOM 661 CA GLY A 41 7.718 -9.976 0.978 1.00 10.00 C ATOM 662 C GLY A 41 7.540 -10.189 -0.533 1.00 10.00 C ATOM 663 O GLY A 41 6.802 -11.083 -0.939 1.00 10.00 O ATOM 0 H GLY A 41 8.727 -8.310 1.748 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.766 -10.946 1.474 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.843 -9.459 1.373 1.00 10.00 H new ATOM 667 N GLY A 42 8.179 -9.365 -1.371 1.00 10.00 N ATOM 668 CA GLY A 42 8.054 -9.413 -2.820 1.00 10.00 C ATOM 669 C GLY A 42 6.874 -8.577 -3.312 1.00 10.00 C ATOM 670 O GLY A 42 6.153 -7.974 -2.512 1.00 10.00 O ATOM 0 H GLY A 42 8.810 -8.632 -1.047 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.974 -9.049 -3.277 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.926 -10.447 -3.140 1.00 10.00 H new ATOM 674 N GLU A 43 6.700 -8.549 -4.640 1.00 10.00 N ATOM 675 CA GLU A 43 5.670 -7.786 -5.331 1.00 10.00 C ATOM 676 C GLU A 43 4.328 -8.513 -5.273 1.00 10.00 C ATOM 677 O GLU A 43 3.350 -7.939 -4.800 1.00 10.00 O ATOM 678 CB GLU A 43 6.119 -7.494 -6.773 1.00 10.00 C ATOM 679 CG GLU A 43 5.042 -6.811 -7.626 1.00 10.00 C ATOM 680 CD GLU A 43 4.287 -7.780 -8.528 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.916 -8.285 -9.477 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.074 -7.964 -8.291 1.00 10.00 O ATOM 0 H GLU A 43 7.296 -9.077 -5.278 1.00 10.00 H new ATOM 0 HA GLU A 43 5.528 -6.829 -4.829 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.006 -6.861 -6.747 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.409 -8.430 -7.251 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.332 -6.308 -6.969 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.508 -6.041 -8.241 1.00 10.00 H new ATOM 689 N GLU A 44 4.274 -9.762 -5.744 1.00 10.00 N ATOM 690 CA GLU A 44 3.023 -10.488 -5.930 1.00 10.00 C ATOM 691 C GLU A 44 2.119 -10.397 -4.698 1.00 10.00 C ATOM 692 O GLU A 44 0.969 -9.980 -4.805 1.00 10.00 O ATOM 693 CB GLU A 44 3.306 -11.945 -6.320 1.00 10.00 C ATOM 694 CG GLU A 44 4.114 -12.037 -7.620 1.00 10.00 C ATOM 695 CD GLU A 44 4.132 -13.468 -8.141 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.042 -14.212 -7.716 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.222 -13.792 -8.934 1.00 10.00 O ATOM 0 H GLU A 44 5.102 -10.297 -6.007 1.00 10.00 H new ATOM 0 HA GLU A 44 2.479 -10.015 -6.747 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.853 -12.437 -5.516 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.364 -12.480 -6.439 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.681 -11.376 -8.371 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.134 -11.695 -7.445 1.00 10.00 H new ATOM 704 N VAL A 45 2.652 -10.738 -3.521 1.00 10.00 N ATOM 705 CA VAL A 45 1.896 -10.707 -2.272 1.00 10.00 C ATOM 706 C VAL A 45 1.425 -9.288 -1.925 1.00 10.00 C ATOM 707 O VAL A 45 0.401 -9.121 -1.270 1.00 10.00 O ATOM 708 CB VAL A 45 2.731 -11.350 -1.147 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.794 -10.395 -0.585 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.835 -11.853 -0.010 1.00 10.00 C ATOM 0 H VAL A 45 3.619 -11.043 -3.410 1.00 10.00 H new ATOM 0 HA VAL A 45 0.986 -11.295 -2.394 1.00 10.00 H new ATOM 0 HB VAL A 45 3.248 -12.197 -1.598 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.354 -10.897 0.204 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.476 -10.100 -1.382 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.308 -9.509 -0.177 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.452 -12.301 0.769 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.274 -11.017 0.408 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.141 -12.599 -0.397 1.00 10.00 H new ATOM 720 N LEU A 46 2.142 -8.245 -2.356 1.00 10.00 N ATOM 721 CA LEU A 46 1.641 -6.888 -2.212 1.00 10.00 C ATOM 722 C LEU A 46 0.506 -6.668 -3.206 1.00 10.00 C ATOM 723 O LEU A 46 -0.578 -6.260 -2.804 1.00 10.00 O ATOM 724 CB LEU A 46 2.746 -5.842 -2.412 1.00 10.00 C ATOM 725 CG LEU A 46 3.804 -5.848 -1.301 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.946 -4.920 -1.716 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.223 -5.356 0.025 1.00 10.00 C ATOM 0 H LEU A 46 3.057 -8.319 -2.800 1.00 10.00 H new ATOM 0 HA LEU A 46 1.271 -6.764 -1.194 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.235 -6.021 -3.369 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.293 -4.852 -2.466 1.00 10.00 H new ATOM 0 HG LEU A 46 4.157 -6.869 -1.160 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.709 -4.911 -0.938 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.383 -5.276 -2.649 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.561 -3.910 -1.858 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.999 -5.373 0.791 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.854 -4.338 -0.095 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.402 -6.007 0.326 1.00 10.00 H new ATOM 739 N ARG A 47 0.733 -6.924 -4.497 1.00 10.00 N ATOM 740 CA ARG A 47 -0.253 -6.606 -5.524 1.00 10.00 C ATOM 741 C ARG A 47 -1.569 -7.354 -5.306 1.00 10.00 C ATOM 742 O ARG A 47 -2.638 -6.792 -5.519 1.00 10.00 O ATOM 743 CB ARG A 47 0.291 -6.813 -6.942 1.00 10.00 C ATOM 744 CG ARG A 47 0.924 -5.509 -7.464 1.00 10.00 C ATOM 745 CD ARG A 47 1.232 -5.477 -8.966 1.00 10.00 C ATOM 746 NE ARG A 47 0.123 -6.027 -9.756 1.00 10.00 N ATOM 747 CZ ARG A 47 0.038 -7.293 -10.199 1.00 10.00 C ATOM 748 NH1 ARG A 47 0.989 -8.194 -9.919 1.00 10.00 N ATOM 749 NH2 ARG A 47 -1.032 -7.655 -10.915 1.00 10.00 N ATOM 0 H ARG A 47 1.589 -7.349 -4.852 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.468 -5.542 -5.425 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.033 -7.611 -6.942 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.514 -7.126 -7.606 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.253 -4.682 -7.231 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.850 -5.332 -6.918 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.427 -4.450 -9.276 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.139 -6.048 -9.164 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.645 -5.397 -9.987 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.798 -7.924 -9.359 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.904 -9.150 -10.266 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.765 -6.975 -11.116 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.115 -8.611 -11.260 1.00 10.00 H new ATOM 763 N GLU A 48 -1.471 -8.603 -4.855 1.00 10.00 N ATOM 764 CA GLU A 48 -2.556 -9.412 -4.320 1.00 10.00 C ATOM 765 C GLU A 48 -3.490 -8.576 -3.429 1.00 10.00 C ATOM 766 O GLU A 48 -4.708 -8.619 -3.587 1.00 10.00 O ATOM 767 CB GLU A 48 -1.879 -10.547 -3.540 1.00 10.00 C ATOM 768 CG GLU A 48 -2.809 -11.470 -2.752 1.00 10.00 C ATOM 769 CD GLU A 48 -2.002 -12.304 -1.772 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.406 -13.304 -2.223 1.00 10.00 O ATOM 771 OE2 GLU A 48 -1.978 -11.896 -0.589 1.00 10.00 O ATOM 0 H GLU A 48 -0.582 -9.102 -4.855 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.193 -9.808 -5.111 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.309 -11.154 -4.243 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.163 -10.107 -2.845 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.552 -10.880 -2.215 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.353 -12.122 -3.435 1.00 10.00 H new ATOM 778 N GLN A 49 -2.913 -7.833 -2.481 1.00 10.00 N ATOM 779 CA GLN A 49 -3.642 -7.035 -1.502 1.00 10.00 C ATOM 780 C GLN A 49 -3.967 -5.642 -2.058 1.00 10.00 C ATOM 781 O GLN A 49 -4.971 -5.031 -1.693 1.00 10.00 O ATOM 782 CB GLN A 49 -2.777 -6.905 -0.241 1.00 10.00 C ATOM 783 CG GLN A 49 -2.389 -8.261 0.370 1.00 10.00 C ATOM 784 CD GLN A 49 -3.571 -9.012 0.970 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.308 -8.464 1.784 1.00 10.00 O ATOM 786 NE2 GLN A 49 -3.727 -10.294 0.665 1.00 10.00 N ATOM 0 H GLN A 49 -1.901 -7.771 -2.374 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.585 -7.528 -1.267 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.870 -6.351 -0.486 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.317 -6.320 0.503 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.927 -8.880 -0.400 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.638 -8.101 1.144 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.107 -10.736 -0.014 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.467 -10.837 1.109 1.00 10.00 H new ATOM 795 N ALA A 50 -3.069 -5.113 -2.891 1.00 10.00 N ATOM 796 CA ALA A 50 -3.117 -3.761 -3.410 1.00 10.00 C ATOM 797 C ALA A 50 -4.405 -3.481 -4.175 1.00 10.00 C ATOM 798 O ALA A 50 -5.037 -4.364 -4.754 1.00 10.00 O ATOM 799 CB ALA A 50 -1.923 -3.512 -4.319 1.00 10.00 C ATOM 0 H ALA A 50 -2.264 -5.639 -3.230 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.086 -3.086 -2.555 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.966 -2.494 -4.705 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.001 -3.647 -3.754 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.945 -4.217 -5.150 1.00 10.00 H new ATOM 805 N GLY A 51 -4.772 -2.205 -4.193 1.00 10.00 N ATOM 806 CA GLY A 51 -6.085 -1.755 -4.574 1.00 10.00 C ATOM 807 C GLY A 51 -7.112 -2.434 -3.700 1.00 10.00 C ATOM 808 O GLY A 51 -8.114 -2.980 -4.154 1.00 10.00 O ATOM 0 H GLY A 51 -4.143 -1.445 -3.935 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.157 -0.673 -4.468 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.272 -1.986 -5.623 1.00 10.00 H new ATOM 812 N GLY A 52 -6.843 -2.321 -2.403 1.00 10.00 N ATOM 813 CA GLY A 52 -7.737 -2.678 -1.351 1.00 10.00 C ATOM 814 C GLY A 52 -7.039 -2.299 -0.058 1.00 10.00 C ATOM 815 O GLY A 52 -5.994 -1.637 -0.041 1.00 10.00 O ATOM 0 H GLY A 52 -5.952 -1.960 -2.061 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.686 -2.151 -1.450 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.961 -3.745 -1.375 1.00 10.00 H new ATOM 819 N ASP A 53 -7.650 -2.744 1.024 1.00 10.00 N ATOM 820 CA ASP A 53 -7.072 -2.664 2.349 1.00 10.00 C ATOM 821 C ASP A 53 -5.884 -3.608 2.459 1.00 10.00 C ATOM 822 O ASP A 53 -5.930 -4.728 1.954 1.00 10.00 O ATOM 823 CB ASP A 53 -8.096 -2.994 3.440 1.00 10.00 C ATOM 824 CG ASP A 53 -7.388 -2.995 4.789 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.818 -1.936 5.121 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.293 -4.064 5.422 1.00 10.00 O ATOM 0 H ASP A 53 -8.574 -3.176 1.005 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.741 -1.636 2.500 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.902 -2.260 3.437 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.550 -3.967 3.251 1.00 10.00 H new ATOM 831 N ALA A 54 -4.844 -3.166 3.163 1.00 10.00 N ATOM 832 CA ALA A 54 -3.889 -4.084 3.754 1.00 10.00 C ATOM 833 C ALA A 54 -3.503 -3.654 5.171 1.00 10.00 C ATOM 834 O ALA A 54 -2.435 -4.034 5.644 1.00 10.00 O ATOM 835 CB ALA A 54 -2.674 -4.207 2.838 1.00 10.00 C ATOM 0 H ALA A 54 -4.647 -2.180 3.334 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.349 -5.067 3.850 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.954 -4.896 3.279 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.989 -4.584 1.865 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.211 -3.228 2.715 1.00 10.00 H new ATOM 841 N THR A 55 -4.345 -2.883 5.868 1.00 10.00 N ATOM 842 CA THR A 55 -4.040 -2.423 7.213 1.00 10.00 C ATOM 843 C THR A 55 -3.834 -3.616 8.148 1.00 10.00 C ATOM 844 O THR A 55 -2.785 -3.744 8.783 1.00 10.00 O ATOM 845 CB THR A 55 -5.148 -1.501 7.756 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.498 -0.485 6.840 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.643 -0.805 9.020 1.00 10.00 C ATOM 0 H THR A 55 -5.247 -2.567 5.513 1.00 10.00 H new ATOM 0 HA THR A 55 -3.117 -1.845 7.168 1.00 10.00 H new ATOM 0 HB THR A 55 -6.020 -2.127 7.946 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.286 -0.763 6.328 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.422 -0.150 9.411 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.388 -1.553 9.770 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.758 -0.214 8.781 1.00 10.00 H new ATOM 855 N GLU A 56 -4.843 -4.489 8.230 1.00 10.00 N ATOM 856 CA GLU A 56 -4.845 -5.613 9.132 1.00 10.00 C ATOM 857 C GLU A 56 -3.674 -6.499 8.758 1.00 10.00 C ATOM 858 O GLU A 56 -2.876 -6.837 9.612 1.00 10.00 O ATOM 859 CB GLU A 56 -6.184 -6.356 9.040 1.00 10.00 C ATOM 860 CG GLU A 56 -7.351 -5.439 9.437 1.00 10.00 C ATOM 861 CD GLU A 56 -8.668 -6.196 9.578 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.727 -7.348 9.097 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.591 -5.603 10.178 1.00 10.00 O ATOM 0 H GLU A 56 -5.685 -4.422 7.659 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.735 -5.292 10.168 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.333 -6.720 8.024 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.165 -7.229 9.692 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.116 -4.946 10.380 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.464 -4.656 8.687 1.00 10.00 H new ATOM 870 N ASN A 57 -3.544 -6.811 7.468 1.00 10.00 N ATOM 871 CA ASN A 57 -2.489 -7.659 6.927 1.00 10.00 C ATOM 872 C ASN A 57 -1.081 -7.124 7.245 1.00 10.00 C ATOM 873 O ASN A 57 -0.167 -7.878 7.588 1.00 10.00 O ATOM 874 CB ASN A 57 -2.718 -7.796 5.417 1.00 10.00 C ATOM 875 CG ASN A 57 -2.051 -9.042 4.854 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.087 -9.548 5.411 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.571 -9.562 3.750 1.00 10.00 N ATOM 0 H ASN A 57 -4.188 -6.470 6.754 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.537 -8.639 7.402 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.788 -7.834 5.214 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.328 -6.914 4.909 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -2.166 -10.406 3.344 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.375 -9.118 3.307 1.00 10.00 H new ATOM 884 N PHE A 58 -0.896 -5.806 7.130 1.00 10.00 N ATOM 885 CA PHE A 58 0.357 -5.143 7.463 1.00 10.00 C ATOM 886 C PHE A 58 0.703 -5.374 8.935 1.00 10.00 C ATOM 887 O PHE A 58 1.792 -5.862 9.240 1.00 10.00 O ATOM 888 CB PHE A 58 0.260 -3.648 7.133 1.00 10.00 C ATOM 889 CG PHE A 58 1.514 -2.851 7.429 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.654 -3.020 6.625 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.525 -1.897 8.465 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.784 -2.207 6.819 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.659 -1.091 8.667 1.00 10.00 C ATOM 894 CZ PHE A 58 3.785 -1.239 7.838 1.00 10.00 C ATOM 0 H PHE A 58 -1.621 -5.169 6.800 1.00 10.00 H new ATOM 0 HA PHE A 58 1.162 -5.568 6.864 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.017 -3.538 6.076 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.568 -3.219 7.696 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.662 -3.777 5.855 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.662 -1.785 9.104 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.651 -2.326 6.186 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.665 -0.357 9.460 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.650 -0.609 7.984 1.00 10.00 H new ATOM 904 N GLU A 59 -0.230 -5.042 9.835 1.00 10.00 N ATOM 905 CA GLU A 59 -0.062 -5.262 11.269 1.00 10.00 C ATOM 906 C GLU A 59 0.162 -6.745 11.587 1.00 10.00 C ATOM 907 O GLU A 59 0.967 -7.096 12.446 1.00 10.00 O ATOM 908 CB GLU A 59 -1.304 -4.746 12.011 1.00 10.00 C ATOM 909 CG GLU A 59 -1.367 -3.211 12.063 1.00 10.00 C ATOM 910 CD GLU A 59 -0.312 -2.612 12.986 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.402 -3.393 13.658 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.164 -1.367 13.004 1.00 10.00 O ATOM 0 H GLU A 59 -1.121 -4.613 9.586 1.00 10.00 H new ATOM 0 HA GLU A 59 0.821 -4.716 11.600 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.200 -5.126 11.520 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.306 -5.141 13.027 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.234 -2.811 11.058 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.357 -2.903 12.400 1.00 10.00 H new ATOM 919 N ASP A 60 -0.560 -7.614 10.882 1.00 10.00 N ATOM 920 CA ASP A 60 -0.541 -9.061 11.027 1.00 10.00 C ATOM 921 C ASP A 60 0.887 -9.562 10.810 1.00 10.00 C ATOM 922 O ASP A 60 1.441 -10.298 11.622 1.00 10.00 O ATOM 923 CB ASP A 60 -1.526 -9.677 10.021 1.00 10.00 C ATOM 924 CG ASP A 60 -1.686 -11.165 10.284 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.469 -11.501 11.198 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.017 -11.938 9.567 1.00 10.00 O ATOM 0 H ASP A 60 -1.208 -7.307 10.156 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.854 -9.358 12.028 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.493 -9.181 10.098 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.166 -9.517 9.005 1.00 10.00 H new ATOM 931 N HIS A 61 1.523 -9.052 9.751 1.00 10.00 N ATOM 932 CA HIS A 61 2.932 -9.283 9.449 1.00 10.00 C ATOM 933 C HIS A 61 3.896 -8.492 10.354 1.00 10.00 C ATOM 934 O HIS A 61 5.095 -8.445 10.080 1.00 10.00 O ATOM 935 CB HIS A 61 3.162 -8.951 7.973 1.00 10.00 C ATOM 936 CG HIS A 61 2.647 -10.013 7.043 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.353 -10.159 6.599 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.385 -11.041 6.527 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.323 -11.257 5.823 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.540 -11.820 5.735 1.00 10.00 N ATOM 0 H HIS A 61 1.059 -8.454 9.067 1.00 10.00 H new ATOM 0 HA HIS A 61 3.155 -10.331 9.650 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.675 -8.004 7.739 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.229 -8.811 7.800 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.565 -9.549 6.817 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.436 -11.219 6.701 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.437 -11.636 5.335 1.00 10.00 H new ATOM 948 N GLY A 62 3.420 -7.873 11.437 1.00 10.00 N ATOM 949 CA GLY A 62 4.252 -7.166 12.395 1.00 10.00 C ATOM 950 C GLY A 62 4.748 -5.838 11.828 1.00 10.00 C ATOM 951 O GLY A 62 4.235 -4.786 12.205 1.00 10.00 O ATOM 0 H GLY A 62 2.427 -7.853 11.671 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.685 -6.984 13.308 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.104 -7.788 12.668 1.00 10.00 H new ATOM 955 N HIS A 63 5.746 -5.910 10.941 1.00 10.00 N ATOM 956 CA HIS A 63 6.422 -4.805 10.261 1.00 10.00 C ATOM 957 C HIS A 63 7.164 -3.833 11.190 1.00 10.00 C ATOM 958 O HIS A 63 6.580 -3.196 12.067 1.00 10.00 O ATOM 959 CB HIS A 63 5.478 -4.092 9.292 1.00 10.00 C ATOM 960 CG HIS A 63 5.265 -4.903 8.044 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.204 -5.733 7.781 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.102 -4.936 6.964 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.387 -6.227 6.543 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.528 -5.764 5.995 1.00 10.00 N ATOM 0 H HIS A 63 6.130 -6.812 10.660 1.00 10.00 H new ATOM 0 HA HIS A 63 7.220 -5.265 9.678 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.520 -3.912 9.780 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.890 -3.118 9.030 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.424 -5.937 8.406 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.043 -4.413 6.875 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.707 -6.907 6.052 1.00 10.00 H new ATOM 972 N SER A 64 8.476 -3.698 10.982 1.00 10.00 N ATOM 973 CA SER A 64 9.329 -2.887 11.835 1.00 10.00 C ATOM 974 C SER A 64 8.966 -1.401 11.752 1.00 10.00 C ATOM 975 O SER A 64 8.261 -0.952 10.846 1.00 10.00 O ATOM 976 CB SER A 64 10.807 -3.108 11.487 1.00 10.00 C ATOM 977 OG SER A 64 11.615 -2.542 12.504 1.00 10.00 O ATOM 0 H SER A 64 8.972 -4.151 10.214 1.00 10.00 H new ATOM 0 HA SER A 64 9.164 -3.205 12.864 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.015 -4.174 11.392 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.039 -2.651 10.525 1.00 10.00 H new ATOM 0 HG SER A 64 12.107 -1.775 12.142 1.00 10.00 H new ATOM 983 N THR A 65 9.519 -0.636 12.694 1.00 10.00 N ATOM 984 CA THR A 65 9.535 0.819 12.739 1.00 10.00 C ATOM 985 C THR A 65 9.893 1.415 11.384 1.00 10.00 C ATOM 986 O THR A 65 9.362 2.443 10.986 1.00 10.00 O ATOM 987 CB THR A 65 10.606 1.212 13.772 1.00 10.00 C ATOM 988 OG1 THR A 65 11.649 0.243 13.806 1.00 10.00 O ATOM 989 CG2 THR A 65 9.984 1.253 15.169 1.00 10.00 C ATOM 0 H THR A 65 9.997 -1.047 13.496 1.00 10.00 H new ATOM 0 HA THR A 65 8.548 1.197 13.006 1.00 10.00 H new ATOM 0 HB THR A 65 11.003 2.186 13.487 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.102 0.219 12.937 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.745 1.532 15.898 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.178 1.987 15.187 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.585 0.270 15.419 1.00 10.00 H new ATOM 997 N ASP A 66 10.818 0.759 10.704 1.00 10.00 N ATOM 998 CA ASP A 66 11.457 1.164 9.474 1.00 10.00 C ATOM 999 C ASP A 66 10.425 1.119 8.348 1.00 10.00 C ATOM 1000 O ASP A 66 10.203 2.098 7.641 1.00 10.00 O ATOM 1001 CB ASP A 66 12.640 0.203 9.248 1.00 10.00 C ATOM 1002 CG ASP A 66 13.501 0.017 10.502 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.930 -0.476 11.511 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.689 0.390 10.445 1.00 10.00 O ATOM 0 H ASP A 66 11.166 -0.143 11.029 1.00 10.00 H new ATOM 0 HA ASP A 66 11.840 2.184 9.509 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.259 -0.766 8.927 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.262 0.584 8.439 1.00 10.00 H new ATOM 1009 N ALA A 67 9.744 -0.023 8.229 1.00 10.00 N ATOM 1010 CA ALA A 67 8.661 -0.256 7.295 1.00 10.00 C ATOM 1011 C ALA A 67 7.510 0.701 7.596 1.00 10.00 C ATOM 1012 O ALA A 67 6.936 1.313 6.699 1.00 10.00 O ATOM 1013 CB ALA A 67 8.198 -1.711 7.412 1.00 10.00 C ATOM 0 H ALA A 67 9.947 -0.838 8.808 1.00 10.00 H new ATOM 0 HA ALA A 67 9.004 -0.076 6.276 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.383 -1.891 6.711 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.029 -2.377 7.181 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.852 -1.902 8.428 1.00 10.00 H new ATOM 1019 N ARG A 68 7.183 0.825 8.881 1.00 10.00 N ATOM 1020 CA ARG A 68 6.237 1.799 9.400 1.00 10.00 C ATOM 1021 C ARG A 68 6.562 3.206 8.879 1.00 10.00 C ATOM 1022 O ARG A 68 5.729 3.817 8.208 1.00 10.00 O ATOM 1023 CB ARG A 68 6.225 1.683 10.934 1.00 10.00 C ATOM 1024 CG ARG A 68 5.061 0.788 11.371 1.00 10.00 C ATOM 1025 CD ARG A 68 5.110 0.512 12.877 1.00 10.00 C ATOM 1026 NE ARG A 68 3.831 -0.047 13.342 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.490 -1.344 13.403 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.343 -2.309 13.062 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.269 -1.667 13.811 1.00 10.00 N ATOM 0 H ARG A 68 7.583 0.231 9.607 1.00 10.00 H new ATOM 0 HA ARG A 68 5.227 1.597 9.045 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.169 1.267 11.285 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.126 2.671 11.383 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.115 1.267 11.117 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.098 -0.154 10.824 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.919 -0.184 13.099 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.327 1.435 13.415 1.00 10.00 H new ATOM 0 HE ARG A 68 3.127 0.623 13.651 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.283 -2.070 12.745 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.056 -3.286 13.118 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.608 -0.935 14.072 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.992 -2.647 13.864 1.00 10.00 H new ATOM 1043 N GLU A 69 7.772 3.710 9.137 1.00 10.00 N ATOM 1044 CA GLU A 69 8.233 4.990 8.618 1.00 10.00 C ATOM 1045 C GLU A 69 7.976 5.021 7.114 1.00 10.00 C ATOM 1046 O GLU A 69 7.256 5.890 6.622 1.00 10.00 O ATOM 1047 CB GLU A 69 9.723 5.216 8.941 1.00 10.00 C ATOM 1048 CG GLU A 69 10.108 6.706 8.969 1.00 10.00 C ATOM 1049 CD GLU A 69 9.540 7.504 7.802 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.938 7.236 6.648 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.647 8.330 8.092 1.00 10.00 O ATOM 0 H GLU A 69 8.461 3.233 9.718 1.00 10.00 H new ATOM 0 HA GLU A 69 7.684 5.801 9.096 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.952 4.768 9.908 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.333 4.702 8.198 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.759 7.146 9.903 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.195 6.792 8.963 1.00 10.00 H new ATOM 1058 N LEU A 70 8.507 4.021 6.407 1.00 10.00 N ATOM 1059 CA LEU A 70 8.384 3.944 4.967 1.00 10.00 C ATOM 1060 C LEU A 70 6.945 4.144 4.513 1.00 10.00 C ATOM 1061 O LEU A 70 6.694 4.881 3.566 1.00 10.00 O ATOM 1062 CB LEU A 70 8.945 2.619 4.421 1.00 10.00 C ATOM 1063 CG LEU A 70 10.253 2.780 3.634 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.238 4.007 2.713 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.432 2.865 4.600 1.00 10.00 C ATOM 0 H LEU A 70 9.030 3.250 6.823 1.00 10.00 H new ATOM 0 HA LEU A 70 8.981 4.758 4.556 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.114 1.936 5.253 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.198 2.157 3.776 1.00 10.00 H new ATOM 0 HG LEU A 70 10.358 1.902 2.996 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.187 4.074 2.180 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.424 3.913 1.994 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.093 4.908 3.309 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.357 2.979 4.035 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.301 3.723 5.259 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.481 1.954 5.196 1.00 10.00 H new ATOM 1077 N SER A 71 5.988 3.521 5.202 1.00 10.00 N ATOM 1078 CA SER A 71 4.597 3.656 4.830 1.00 10.00 C ATOM 1079 C SER A 71 4.181 5.123 4.941 1.00 10.00 C ATOM 1080 O SER A 71 3.558 5.649 4.024 1.00 10.00 O ATOM 1081 CB SER A 71 3.739 2.647 5.613 1.00 10.00 C ATOM 1082 OG SER A 71 3.435 3.085 6.920 1.00 10.00 O ATOM 0 H SER A 71 6.158 2.925 6.012 1.00 10.00 H new ATOM 0 HA SER A 71 4.432 3.394 3.785 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.811 2.468 5.070 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.266 1.694 5.667 1.00 10.00 H new ATOM 0 HG SER A 71 4.259 3.360 7.373 1.00 10.00 H new ATOM 1088 N LYS A 72 4.587 5.817 6.008 1.00 10.00 N ATOM 1089 CA LYS A 72 4.300 7.244 6.120 1.00 10.00 C ATOM 1090 C LYS A 72 4.857 7.979 4.901 1.00 10.00 C ATOM 1091 O LYS A 72 4.140 8.711 4.227 1.00 10.00 O ATOM 1092 CB LYS A 72 4.861 7.833 7.422 1.00 10.00 C ATOM 1093 CG LYS A 72 4.495 6.963 8.629 1.00 10.00 C ATOM 1094 CD LYS A 72 4.559 7.712 9.969 1.00 10.00 C ATOM 1095 CE LYS A 72 5.973 7.974 10.515 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.779 8.876 9.667 1.00 10.00 N ATOM 0 H LYS A 72 5.106 5.420 6.792 1.00 10.00 H new ATOM 0 HA LYS A 72 3.218 7.376 6.150 1.00 10.00 H new ATOM 0 HB2 LYS A 72 5.945 7.918 7.348 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.471 8.841 7.566 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.488 6.569 8.490 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.170 6.108 8.668 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.050 8.669 9.855 1.00 10.00 H new ATOM 0 HD3 LYS A 72 4.002 7.141 10.712 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.894 8.403 11.514 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.495 7.023 10.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.352 9.500 10.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.406 8.312 9.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.147 9.452 9.074 1.00 10.00 H new ATOM 1110 N THR A 73 6.125 7.734 4.590 1.00 10.00 N ATOM 1111 CA THR A 73 6.793 8.290 3.423 1.00 10.00 C ATOM 1112 C THR A 73 6.068 7.917 2.113 1.00 10.00 C ATOM 1113 O THR A 73 6.090 8.696 1.163 1.00 10.00 O ATOM 1114 CB THR A 73 8.277 7.889 3.491 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.852 8.549 4.604 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.081 8.278 2.250 1.00 10.00 C ATOM 0 H THR A 73 6.727 7.133 5.153 1.00 10.00 H new ATOM 0 HA THR A 73 6.749 9.379 3.426 1.00 10.00 H new ATOM 0 HB THR A 73 8.313 6.802 3.568 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.289 7.891 5.185 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.117 7.962 2.374 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.655 7.791 1.373 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.045 9.359 2.117 1.00 10.00 H new ATOM 1124 N PHE A 74 5.397 6.761 2.054 1.00 10.00 N ATOM 1125 CA PHE A 74 4.602 6.329 0.905 1.00 10.00 C ATOM 1126 C PHE A 74 3.173 6.881 0.906 1.00 10.00 C ATOM 1127 O PHE A 74 2.448 6.625 -0.057 1.00 10.00 O ATOM 1128 CB PHE A 74 4.525 4.800 0.852 1.00 10.00 C ATOM 1129 CG PHE A 74 5.823 4.020 0.746 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.981 4.574 0.165 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.828 2.673 1.145 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.155 3.808 0.070 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.993 1.901 1.026 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.176 2.493 0.566 1.00 10.00 C ATOM 0 H PHE A 74 5.393 6.088 2.820 1.00 10.00 H new ATOM 0 HA PHE A 74 5.114 6.728 0.029 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.005 4.461 1.748 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.902 4.527 0.000 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.966 5.588 -0.207 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.929 2.229 1.546 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.040 4.229 -0.384 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.978 0.853 1.288 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.103 1.940 0.592 1.00 10.00 H new ATOM 1144 N ILE A 75 2.732 7.588 1.954 1.00 10.00 N ATOM 1145 CA ILE A 75 1.431 8.265 1.911 1.00 10.00 C ATOM 1146 C ILE A 75 1.338 9.148 0.663 1.00 10.00 C ATOM 1147 O ILE A 75 2.165 10.033 0.459 1.00 10.00 O ATOM 1148 CB ILE A 75 1.143 9.084 3.185 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.832 8.117 4.330 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.058 10.030 3.001 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.971 8.769 5.711 1.00 10.00 C ATOM 0 H ILE A 75 3.246 7.705 2.827 1.00 10.00 H new ATOM 0 HA ILE A 75 0.665 7.491 1.862 1.00 10.00 H new ATOM 0 HB ILE A 75 2.022 9.690 3.403 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.183 7.737 4.213 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.503 7.260 4.268 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.226 10.588 3.922 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.148 10.726 2.188 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.947 9.447 2.763 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.739 8.037 6.484 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.993 9.125 5.844 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.281 9.609 5.788 1.00 10.00 H new ATOM 1163 N ILE A 76 0.301 8.919 -0.147 1.00 10.00 N ATOM 1164 CA ILE A 76 0.022 9.671 -1.370 1.00 10.00 C ATOM 1165 C ILE A 76 -1.362 10.328 -1.334 1.00 10.00 C ATOM 1166 O ILE A 76 -1.706 11.084 -2.246 1.00 10.00 O ATOM 1167 CB ILE A 76 0.104 8.722 -2.580 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.646 7.410 -2.270 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.565 8.464 -2.966 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.166 6.675 -3.503 1.00 10.00 C ATOM 0 H ILE A 76 -0.385 8.186 0.036 1.00 10.00 H new ATOM 0 HA ILE A 76 0.766 10.463 -1.453 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.378 9.192 -3.437 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.021 6.746 -1.720 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.487 7.633 -1.613 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.602 7.791 -3.823 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.045 9.408 -3.225 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.089 8.009 -2.125 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.680 5.765 -3.194 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.860 7.318 -4.044 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.330 6.417 -4.153 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.193 9.974 -0.352 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.638 10.051 -0.506 1.00 10.00 C ATOM 1184 C GLY A 77 -4.288 9.459 0.719 1.00 10.00 C ATOM 1185 O GLY A 77 -3.598 9.023 1.642 1.00 10.00 O ATOM 0 H GLY A 77 -1.885 9.631 0.558 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.949 11.088 -0.635 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.952 9.510 -1.399 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.615 9.395 0.680 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.420 8.779 1.700 1.00 10.00 C ATOM 1191 C GLU A 78 -7.619 8.111 1.036 1.00 10.00 C ATOM 1192 O GLU A 78 -7.957 8.443 -0.094 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.888 9.856 2.688 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.790 10.685 3.385 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.153 11.821 2.579 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.706 12.216 1.528 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.120 12.328 3.060 1.00 10.00 O ATOM 0 H GLU A 78 -6.164 9.784 -0.087 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.844 8.029 2.243 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.546 10.543 2.155 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.489 9.372 3.458 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.215 11.112 4.293 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.997 10.004 3.694 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.252 7.180 1.741 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.377 6.382 1.264 1.00 10.00 C ATOM 1206 C LEU A 79 -10.681 7.158 1.447 1.00 10.00 C ATOM 1207 O LEU A 79 -11.101 7.427 2.571 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.340 5.033 1.992 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.559 4.100 1.861 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.215 3.944 3.220 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.631 4.433 0.837 1.00 10.00 C ATOM 0 H LEU A 79 -7.985 6.951 2.699 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.309 6.179 0.195 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.465 4.488 1.639 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.185 5.231 3.053 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.118 3.182 1.471 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.079 3.285 3.134 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.500 3.515 3.922 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.538 4.920 3.582 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.416 3.678 0.874 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.057 5.411 1.061 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.190 4.449 -0.160 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.296 7.551 0.328 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.332 8.564 0.299 1.00 10.00 C ATOM 1225 C HIS A 80 -13.531 8.243 1.182 1.00 10.00 C ATOM 1226 O HIS A 80 -14.182 7.236 0.949 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.807 8.828 -1.127 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.693 10.038 -1.174 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.066 10.057 -1.072 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.239 11.292 -0.884 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.423 11.312 -0.741 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.344 12.099 -0.611 1.00 10.00 N ATOM 0 H HIS A 80 -11.079 7.164 -0.590 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.865 9.461 0.706 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.947 8.975 -1.781 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.348 7.960 -1.502 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.205 11.605 -0.869 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.442 11.641 -0.599 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.334 13.088 -0.363 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.912 9.093 2.144 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.753 8.646 3.239 1.00 10.00 C ATOM 1242 C PRO A 81 -16.172 8.253 2.922 1.00 10.00 C ATOM 1243 O PRO A 81 -16.847 7.679 3.769 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.882 9.868 4.138 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.598 10.655 3.893 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.462 10.457 2.392 1.00 10.00 C ATOM 0 HA PRO A 81 -14.280 7.747 3.635 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.764 10.457 3.885 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -14.980 9.583 5.185 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.692 11.705 4.170 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.749 10.254 4.447 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.068 11.178 1.843 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.431 10.596 2.068 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.630 8.604 1.731 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.926 8.151 1.267 1.00 10.00 C ATOM 1256 C ASP A 82 -17.989 6.619 1.375 1.00 10.00 C ATOM 1257 O ASP A 82 -19.027 6.034 1.671 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.140 8.642 -0.167 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.528 8.285 -0.676 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.486 8.914 -0.181 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.591 7.428 -1.581 1.00 10.00 O ATOM 0 H ASP A 82 -16.125 9.198 1.073 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.728 8.560 1.881 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.003 9.723 -0.207 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.387 8.201 -0.820 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.814 6.005 1.202 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.492 4.633 1.533 1.00 10.00 C ATOM 1268 C ASP A 83 -16.919 4.217 2.943 1.00 10.00 C ATOM 1269 O ASP A 83 -17.797 3.374 3.124 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.967 4.501 1.420 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.585 3.030 1.452 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.378 2.522 2.575 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.505 2.443 0.353 1.00 10.00 O ATOM 0 H ASP A 83 -16.016 6.496 0.799 1.00 10.00 H new ATOM 0 HA ASP A 83 -17.036 3.981 0.849 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.619 4.959 0.494 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.483 5.032 2.240 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.186 4.743 3.927 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.918 4.054 5.172 1.00 10.00 C ATOM 1280 C ARG A 84 -16.875 4.474 6.293 1.00 10.00 C ATOM 1281 O ARG A 84 -17.494 3.570 6.896 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.453 4.314 5.562 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.698 3.068 6.045 1.00 10.00 C ATOM 1284 CD ARG A 84 -14.331 2.258 7.196 1.00 10.00 C ATOM 1285 NE ARG A 84 -15.165 3.069 8.093 1.00 10.00 N ATOM 1286 CZ ARG A 84 -14.756 4.047 8.909 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -13.604 3.929 9.577 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -15.506 5.146 9.039 1.00 10.00 N ATOM 1289 OXT ARG A 84 -16.770 5.630 6.761 1.00 10.00 O ATOM 0 H ARG A 84 -15.762 5.669 3.872 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.084 2.987 5.027 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -13.929 4.732 4.702 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.427 5.068 6.349 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.570 2.400 5.193 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -12.701 3.378 6.359 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.937 1.456 6.775 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.538 1.787 7.777 1.00 10.00 H new ATOM 0 HE ARG A 84 -16.164 2.864 8.094 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -13.033 3.091 9.465 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -13.296 4.677 10.198 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -16.379 5.232 8.519 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -15.205 5.899 9.658 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.200 -5.998 4.146 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.711 -8.100 5.329 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.363 -3.278 4.427 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.624 -3.889 3.279 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.138 -8.774 3.658 1.00 10.00 C HETATM 1309 NA HEM A 201 8.182 -5.736 4.758 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.987 -6.731 5.235 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.209 -6.107 5.693 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.161 -4.783 5.320 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.839 -4.534 4.801 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.265 -3.768 5.510 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.227 -6.723 6.628 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.751 -6.680 8.086 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.590 -5.244 8.576 1.00 10.00 C HETATM 1318 O1A HEM A 201 9.430 -4.790 8.676 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.632 -4.613 8.845 1.00 10.00 O HETATM 1320 NB HEM A 201 6.037 -3.974 3.867 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.054 -3.058 4.008 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.530 -1.760 3.650 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.207 -1.953 3.340 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.886 -3.344 3.501 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.272 -0.448 3.721 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.354 -1.032 2.499 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.805 0.068 3.044 1.00 10.00 C HETATM 1328 NC HEM A 201 4.239 -6.274 3.599 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.362 -5.251 3.348 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.061 -5.828 3.135 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.235 -7.189 3.186 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.608 -7.488 3.492 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.790 -5.074 2.838 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.123 -8.206 3.186 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.777 -8.817 2.035 1.00 10.00 C HETATM 1336 ND HEM A 201 6.401 -8.076 4.411 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.446 -9.006 4.093 1.00 10.00 C HETATM 1338 C2D HEM A 201 6.037 -10.311 4.295 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.298 -10.111 4.808 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.525 -8.687 4.875 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.434 -11.660 3.968 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.303 -11.181 5.158 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.465 -11.374 6.668 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.760 -12.122 6.951 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.819 -11.477 6.794 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.668 -13.319 7.294 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.167 -2.980 4.764 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.232 -4.257 5.396 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.193 -3.334 6.507 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.008 -0.489 4.524 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.566 0.359 3.916 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.779 -0.265 2.774 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.133 -5.694 2.228 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.028 -4.158 2.298 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.288 -4.824 3.773 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.349 -11.604 4.054 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.815 -12.407 4.664 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.704 -11.942 2.950 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.190 0.730 2.434 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 3.975 0.298 4.096 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.027 -9.553 2.029 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.301 -8.575 1.110 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.466 -7.204 8.720 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.800 -7.206 8.176 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.174 -6.191 6.538 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.413 -7.756 6.335 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.617 -11.931 7.067 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.475 -10.406 7.169 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.269 -10.921 4.724 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.994 -12.124 4.707 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.456 -8.740 5.778 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.041 -2.438 4.464 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.810 -3.220 3.042 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.508 -9.624 3.440 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.183 -1.260 1.447 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.601 -8.447 4.112 1.00 10.00 H new