USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 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 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= -0.176 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -2.37! (180deg=-2.37!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0884 USER MOD Single : A 13 GLN : amide:sc= -3.81! C(o=-3.8!,f=-9.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -11! C(o=-11!,f=-8.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -110:sc= 0.0693 USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.487 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 27 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -44:sc= -0.163 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-7.6!) USER MOD Single : A 85 SER OG : rot -18:sc= 0.473 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.675 (180deg=-2.5!) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -2.24 (180deg=-2.24) USER MOD Single : A 95 HEM CMD :methyl -30:sc= 0 (180deg=-0.00457) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.358 14.055 -27.384 1.00 0.00 N ATOM 2 CA VAL A 4 14.751 14.550 -26.161 1.00 0.00 C ATOM 3 C VAL A 4 15.851 14.891 -25.152 1.00 0.00 C ATOM 4 O VAL A 4 16.887 14.230 -25.111 1.00 0.00 O ATOM 5 CB VAL A 4 13.745 13.529 -25.626 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.873 13.376 -24.109 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.317 13.911 -26.019 1.00 0.00 C ATOM 0 HA VAL A 4 14.193 15.466 -26.355 1.00 0.00 H new ATOM 0 HB VAL A 4 13.972 12.565 -26.080 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.147 12.645 -23.755 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.879 13.038 -23.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.684 14.336 -23.629 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.621 13.169 -25.627 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.075 14.890 -25.605 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.236 13.946 -27.105 1.00 0.00 H new ATOM 17 N LYS A 5 15.586 15.921 -24.363 1.00 0.00 N ATOM 18 CA LYS A 5 16.540 16.357 -23.357 1.00 0.00 C ATOM 19 C LYS A 5 16.210 15.687 -22.022 1.00 0.00 C ATOM 20 O LYS A 5 15.100 15.828 -21.511 1.00 0.00 O ATOM 21 CB LYS A 5 16.581 17.886 -23.284 1.00 0.00 C ATOM 22 CG LYS A 5 17.977 18.413 -23.619 1.00 0.00 C ATOM 23 CD LYS A 5 17.895 19.744 -24.370 1.00 0.00 C ATOM 24 CE LYS A 5 19.238 20.090 -25.018 1.00 0.00 C ATOM 25 NZ LYS A 5 19.907 21.178 -24.271 1.00 0.00 N ATOM 0 H LYS A 5 14.725 16.466 -24.399 1.00 0.00 H new ATOM 0 HA LYS A 5 17.549 16.046 -23.629 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.853 18.306 -23.978 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.295 18.214 -22.285 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.550 18.544 -22.701 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.510 17.681 -24.226 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.121 19.687 -25.136 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.604 20.537 -23.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.877 19.207 -25.038 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.082 20.394 -26.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.817 21.401 -24.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.302 22.024 -24.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.073 20.875 -23.290 1.00 0.00 H new ATOM 39 N TYR A 6 17.193 14.973 -21.495 1.00 0.00 N ATOM 40 CA TYR A 6 17.021 14.280 -20.230 1.00 0.00 C ATOM 41 C TYR A 6 17.319 15.209 -19.052 1.00 0.00 C ATOM 42 O TYR A 6 18.478 15.415 -18.697 1.00 0.00 O ATOM 43 CB TYR A 6 18.038 13.137 -20.233 1.00 0.00 C ATOM 44 CG TYR A 6 17.912 12.196 -21.432 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.821 11.358 -21.542 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.891 12.184 -22.406 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.702 10.472 -22.672 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.773 11.298 -23.536 1.00 0.00 C ATOM 49 CZ TYR A 6 17.684 10.486 -23.612 1.00 0.00 C ATOM 50 OH TYR A 6 17.573 9.650 -24.679 1.00 0.00 O ATOM 0 H TYR A 6 18.113 14.859 -21.922 1.00 0.00 H new ATOM 0 HA TYR A 6 15.996 13.926 -20.122 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.043 13.559 -20.219 1.00 0.00 H new ATOM 0 HB3 TYR A 6 17.922 12.559 -19.316 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.056 11.366 -20.780 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.745 12.839 -22.321 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.853 9.812 -22.770 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.531 11.279 -24.305 1.00 0.00 H new ATOM 0 HH TYR A 6 18.346 9.769 -25.270 1.00 0.00 H new ATOM 60 N TYR A 7 16.253 15.745 -18.476 1.00 0.00 N ATOM 61 CA TYR A 7 16.385 16.647 -17.344 1.00 0.00 C ATOM 62 C TYR A 7 15.997 15.950 -16.039 1.00 0.00 C ATOM 63 O TYR A 7 14.926 15.352 -15.945 1.00 0.00 O ATOM 64 CB TYR A 7 15.410 17.796 -17.605 1.00 0.00 C ATOM 65 CG TYR A 7 14.605 17.648 -18.897 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.541 16.771 -18.951 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.942 18.391 -20.010 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.782 16.631 -20.166 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.183 18.252 -21.226 1.00 0.00 C ATOM 70 CZ TYR A 7 13.141 17.379 -21.244 1.00 0.00 C ATOM 71 OH TYR A 7 12.425 17.248 -22.393 1.00 0.00 O ATOM 0 H TYR A 7 15.293 15.572 -18.772 1.00 0.00 H new ATOM 0 HA TYR A 7 17.415 16.988 -17.243 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.719 17.870 -16.765 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.968 18.731 -17.642 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.277 16.189 -18.080 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.775 19.077 -19.969 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.947 15.948 -20.220 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.436 18.828 -22.104 1.00 0.00 H new ATOM 0 HH TYR A 7 12.794 17.844 -23.078 1.00 0.00 H new ATOM 81 N THR A 8 16.889 16.050 -15.064 1.00 0.00 N ATOM 82 CA THR A 8 16.653 15.437 -13.768 1.00 0.00 C ATOM 83 C THR A 8 15.654 16.266 -12.960 1.00 0.00 C ATOM 84 O THR A 8 15.375 17.415 -13.301 1.00 0.00 O ATOM 85 CB THR A 8 18.005 15.267 -13.072 1.00 0.00 C ATOM 86 OG1 THR A 8 18.434 16.602 -12.819 1.00 0.00 O ATOM 87 CG2 THR A 8 19.077 14.702 -14.005 1.00 0.00 C ATOM 0 H THR A 8 17.776 16.546 -15.146 1.00 0.00 H new ATOM 0 HA THR A 8 16.199 14.452 -13.874 1.00 0.00 H new ATOM 0 HB THR A 8 17.890 14.609 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.304 16.586 -12.367 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.016 14.601 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.763 13.724 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.217 15.377 -14.849 1.00 0.00 H new ATOM 95 N LEU A 9 15.140 15.651 -11.905 1.00 0.00 N ATOM 96 CA LEU A 9 14.177 16.318 -11.045 1.00 0.00 C ATOM 97 C LEU A 9 14.626 17.762 -10.807 1.00 0.00 C ATOM 98 O LEU A 9 13.796 18.658 -10.662 1.00 0.00 O ATOM 99 CB LEU A 9 13.964 15.521 -9.758 1.00 0.00 C ATOM 100 CG LEU A 9 13.125 14.247 -9.888 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.689 13.327 -10.972 1.00 0.00 C ATOM 102 CD2 LEU A 9 12.996 13.535 -8.540 1.00 0.00 C ATOM 0 H LEU A 9 15.372 14.698 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 9 13.202 16.362 -11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.940 15.250 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.488 16.173 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 9 12.119 14.531 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.074 12.430 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.684 13.847 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.711 13.047 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.395 12.633 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.987 13.265 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.514 14.199 -7.823 1.00 0.00 H new ATOM 114 N GLU A 10 15.938 17.942 -10.773 1.00 0.00 N ATOM 115 CA GLU A 10 16.508 19.260 -10.556 1.00 0.00 C ATOM 116 C GLU A 10 15.878 20.275 -11.511 1.00 0.00 C ATOM 117 O GLU A 10 15.903 21.477 -11.251 1.00 0.00 O ATOM 118 CB GLU A 10 18.030 19.232 -10.710 1.00 0.00 C ATOM 119 CG GLU A 10 18.720 19.704 -9.428 1.00 0.00 C ATOM 120 CD GLU A 10 20.151 19.169 -9.347 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.296 17.929 -9.377 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.068 20.015 -9.257 1.00 0.00 O ATOM 0 H GLU A 10 16.623 17.196 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 10 16.286 19.566 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.356 18.220 -10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.327 19.870 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.733 20.794 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.152 19.368 -8.560 1.00 0.00 H new ATOM 129 N GLU A 11 15.328 19.754 -12.599 1.00 0.00 N ATOM 130 CA GLU A 11 14.693 20.599 -13.595 1.00 0.00 C ATOM 131 C GLU A 11 13.177 20.615 -13.389 1.00 0.00 C ATOM 132 O GLU A 11 12.580 21.678 -13.226 1.00 0.00 O ATOM 133 CB GLU A 11 15.050 20.142 -15.011 1.00 0.00 C ATOM 134 CG GLU A 11 16.550 19.870 -15.138 1.00 0.00 C ATOM 135 CD GLU A 11 17.365 20.968 -14.451 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.088 22.151 -14.748 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.248 20.601 -13.646 1.00 0.00 O ATOM 0 H GLU A 11 15.309 18.757 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 11 15.067 21.615 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.491 19.239 -15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.753 20.906 -15.729 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.787 18.904 -14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.825 19.812 -16.191 1.00 0.00 H new ATOM 144 N ILE A 12 12.598 19.424 -13.403 1.00 0.00 N ATOM 145 CA ILE A 12 11.163 19.287 -13.221 1.00 0.00 C ATOM 146 C ILE A 12 10.753 19.962 -11.910 1.00 0.00 C ATOM 147 O ILE A 12 9.677 20.551 -11.820 1.00 0.00 O ATOM 148 CB ILE A 12 10.749 17.817 -13.310 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.124 17.223 -14.671 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.260 17.647 -13.002 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.194 16.140 -14.518 1.00 0.00 C ATOM 0 H ILE A 12 13.097 18.544 -13.538 1.00 0.00 H new ATOM 0 HA ILE A 12 10.628 19.794 -14.023 1.00 0.00 H new ATOM 0 HB ILE A 12 11.300 17.260 -12.552 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.238 16.800 -15.144 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.491 18.012 -15.328 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.992 16.593 -13.072 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.053 18.008 -11.994 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.672 18.219 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.443 15.734 -15.498 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.087 16.572 -14.067 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.815 15.342 -13.880 1.00 0.00 H new ATOM 163 N GLN A 13 11.635 19.854 -10.926 1.00 0.00 N ATOM 164 CA GLN A 13 11.378 20.447 -9.625 1.00 0.00 C ATOM 165 C GLN A 13 11.086 21.942 -9.769 1.00 0.00 C ATOM 166 O GLN A 13 10.246 22.486 -9.056 1.00 0.00 O ATOM 167 CB GLN A 13 12.551 20.207 -8.672 1.00 0.00 C ATOM 168 CG GLN A 13 12.500 18.795 -8.084 1.00 0.00 C ATOM 169 CD GLN A 13 11.233 18.593 -7.251 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.153 18.349 -7.765 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.423 18.710 -5.940 1.00 0.00 N ATOM 0 H GLN A 13 12.527 19.365 -11.004 1.00 0.00 H new ATOM 0 HA GLN A 13 10.499 19.966 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.492 20.349 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.526 20.941 -7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.531 18.061 -8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.379 18.624 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.353 18.915 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.638 18.594 -5.299 1.00 0.00 H new ATOM 180 N LYS A 14 11.798 22.563 -10.699 1.00 0.00 N ATOM 181 CA LYS A 14 11.626 23.985 -10.948 1.00 0.00 C ATOM 182 C LYS A 14 10.320 24.210 -11.713 1.00 0.00 C ATOM 183 O LYS A 14 9.830 25.335 -11.793 1.00 0.00 O ATOM 184 CB LYS A 14 12.858 24.559 -11.650 1.00 0.00 C ATOM 185 CG LYS A 14 12.997 26.058 -11.376 1.00 0.00 C ATOM 186 CD LYS A 14 13.441 26.804 -12.636 1.00 0.00 C ATOM 187 CE LYS A 14 14.218 28.073 -12.274 1.00 0.00 C ATOM 188 NZ LYS A 14 14.721 28.738 -13.496 1.00 0.00 N ATOM 0 H LYS A 14 12.495 22.108 -11.289 1.00 0.00 H new ATOM 0 HA LYS A 14 11.542 24.529 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.752 24.039 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.782 24.388 -12.724 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.045 26.458 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.722 26.220 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.065 26.153 -13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.569 27.065 -13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.574 28.756 -11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.053 27.821 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.246 29.597 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.352 28.090 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.919 28.995 -14.106 1.00 0.00 H new ATOM 202 N HIS A 15 9.794 23.121 -12.256 1.00 0.00 N ATOM 203 CA HIS A 15 8.555 23.187 -13.012 1.00 0.00 C ATOM 204 C HIS A 15 7.409 22.628 -12.167 1.00 0.00 C ATOM 205 O HIS A 15 6.639 21.792 -12.635 1.00 0.00 O ATOM 206 CB HIS A 15 8.702 22.475 -14.358 1.00 0.00 C ATOM 207 CG HIS A 15 9.894 22.928 -15.166 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.929 24.138 -15.837 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.093 22.321 -15.403 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.099 24.244 -16.447 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.819 23.118 -16.178 1.00 0.00 N ATOM 0 H HIS A 15 10.203 22.189 -12.187 1.00 0.00 H new ATOM 0 HA HIS A 15 8.318 24.226 -13.241 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.781 21.402 -14.183 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.797 22.636 -14.943 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.399 21.357 -15.025 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.426 25.077 -17.052 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.761 22.920 -16.516 1.00 0.00 H new ATOM 219 N LYS A 16 7.332 23.114 -10.937 1.00 0.00 N ATOM 220 CA LYS A 16 6.292 22.673 -10.022 1.00 0.00 C ATOM 221 C LYS A 16 5.300 23.816 -9.796 1.00 0.00 C ATOM 222 O LYS A 16 4.974 24.143 -8.656 1.00 0.00 O ATOM 223 CB LYS A 16 6.909 22.130 -8.731 1.00 0.00 C ATOM 224 CG LYS A 16 5.822 21.692 -7.748 1.00 0.00 C ATOM 225 CD LYS A 16 6.067 22.287 -6.360 1.00 0.00 C ATOM 226 CE LYS A 16 4.816 22.994 -5.837 1.00 0.00 C ATOM 227 NZ LYS A 16 5.041 23.498 -4.463 1.00 0.00 N ATOM 0 H LYS A 16 7.972 23.809 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 16 5.731 21.844 -10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.559 21.285 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.533 22.896 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.846 22.007 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.802 20.604 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.358 21.497 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.896 22.993 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.557 23.822 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.972 22.305 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.182 23.975 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.266 22.701 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.833 24.172 -4.466 1.00 0.00 H new ATOM 241 N ASP A 17 4.848 24.391 -10.900 1.00 0.00 N ATOM 242 CA ASP A 17 3.900 25.491 -10.837 1.00 0.00 C ATOM 243 C ASP A 17 2.997 25.452 -12.071 1.00 0.00 C ATOM 244 O ASP A 17 3.287 24.745 -13.035 1.00 0.00 O ATOM 245 CB ASP A 17 4.621 26.840 -10.821 1.00 0.00 C ATOM 246 CG ASP A 17 3.855 27.975 -10.139 1.00 0.00 C ATOM 247 OD1 ASP A 17 3.970 28.073 -8.898 1.00 0.00 O ATOM 248 OD2 ASP A 17 3.171 28.720 -10.874 1.00 0.00 O ATOM 0 H ASP A 17 5.120 24.116 -11.844 1.00 0.00 H new ATOM 0 HA ASP A 17 3.319 25.382 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.580 26.716 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.835 27.133 -11.849 1.00 0.00 H new ATOM 253 N SER A 18 1.920 26.221 -12.002 1.00 0.00 N ATOM 254 CA SER A 18 0.974 26.283 -13.102 1.00 0.00 C ATOM 255 C SER A 18 1.707 26.600 -14.406 1.00 0.00 C ATOM 256 O SER A 18 1.473 25.954 -15.428 1.00 0.00 O ATOM 257 CB SER A 18 -0.113 27.328 -12.836 1.00 0.00 C ATOM 258 OG SER A 18 0.439 28.583 -12.448 1.00 0.00 O ATOM 0 H SER A 18 1.682 26.806 -11.201 1.00 0.00 H new ATOM 0 HA SER A 18 0.491 25.310 -13.192 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.717 27.459 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.780 26.967 -12.053 1.00 0.00 H new ATOM 0 HG SER A 18 -0.285 29.224 -12.289 1.00 0.00 H new ATOM 264 N LYS A 19 2.579 27.594 -14.332 1.00 0.00 N ATOM 265 CA LYS A 19 3.349 28.005 -15.494 1.00 0.00 C ATOM 266 C LYS A 19 3.868 26.763 -16.220 1.00 0.00 C ATOM 267 O LYS A 19 3.589 26.568 -17.403 1.00 0.00 O ATOM 268 CB LYS A 19 4.449 28.986 -15.088 1.00 0.00 C ATOM 269 CG LYS A 19 5.193 29.515 -16.317 1.00 0.00 C ATOM 270 CD LYS A 19 6.707 29.408 -16.130 1.00 0.00 C ATOM 271 CE LYS A 19 7.380 28.882 -17.400 1.00 0.00 C ATOM 272 NZ LYS A 19 8.544 29.725 -17.756 1.00 0.00 N ATOM 0 H LYS A 19 2.770 28.128 -13.484 1.00 0.00 H new ATOM 0 HA LYS A 19 2.718 28.546 -16.199 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.013 29.819 -14.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.152 28.492 -14.417 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.891 28.951 -17.200 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.917 30.555 -16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.116 30.386 -15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.928 28.743 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.702 27.852 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.664 28.874 -18.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.989 29.355 -18.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.228 30.702 -17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.234 29.711 -16.978 1.00 0.00 H new ATOM 286 N SER A 20 4.615 25.954 -15.483 1.00 0.00 N ATOM 287 CA SER A 20 5.176 24.736 -16.042 1.00 0.00 C ATOM 288 C SER A 20 5.079 23.598 -15.023 1.00 0.00 C ATOM 289 O SER A 20 5.867 23.536 -14.082 1.00 0.00 O ATOM 290 CB SER A 20 6.630 24.945 -16.468 1.00 0.00 C ATOM 291 OG SER A 20 6.866 24.496 -17.800 1.00 0.00 O ATOM 0 H SER A 20 4.845 26.118 -14.503 1.00 0.00 H new ATOM 0 HA SER A 20 4.600 24.470 -16.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.881 26.003 -16.392 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.289 24.411 -15.783 1.00 0.00 H new ATOM 0 HG SER A 20 7.420 23.688 -17.779 1.00 0.00 H new ATOM 297 N THR A 21 4.106 22.728 -15.246 1.00 0.00 N ATOM 298 CA THR A 21 3.895 21.597 -14.359 1.00 0.00 C ATOM 299 C THR A 21 3.905 20.288 -15.151 1.00 0.00 C ATOM 300 O THR A 21 3.100 20.105 -16.064 1.00 0.00 O ATOM 301 CB THR A 21 2.593 21.833 -13.592 1.00 0.00 C ATOM 302 OG1 THR A 21 3.022 22.193 -12.281 1.00 0.00 O ATOM 303 CG2 THR A 21 1.796 20.545 -13.382 1.00 0.00 C ATOM 0 H THR A 21 3.454 22.783 -16.029 1.00 0.00 H new ATOM 0 HA THR A 21 4.704 21.508 -13.634 1.00 0.00 H new ATOM 0 HB THR A 21 1.980 22.555 -14.131 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.346 23.118 -12.285 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.881 20.769 -12.833 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.542 20.113 -14.350 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.396 19.834 -12.814 1.00 0.00 H new ATOM 311 N TRP A 22 4.823 19.411 -14.774 1.00 0.00 N ATOM 312 CA TRP A 22 4.949 18.125 -15.439 1.00 0.00 C ATOM 313 C TRP A 22 4.780 17.031 -14.385 1.00 0.00 C ATOM 314 O TRP A 22 4.583 17.323 -13.206 1.00 0.00 O ATOM 315 CB TRP A 22 6.274 18.026 -16.198 1.00 0.00 C ATOM 316 CG TRP A 22 6.702 19.329 -16.875 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.920 20.279 -17.405 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.055 19.790 -17.075 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.667 21.314 -17.931 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.006 21.007 -17.724 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.280 19.197 -16.720 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.149 21.736 -18.073 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.414 19.938 -17.077 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.381 21.165 -17.729 1.00 0.00 C ATOM 0 H TRP A 22 5.488 19.566 -14.016 1.00 0.00 H new ATOM 0 HA TRP A 22 4.173 18.004 -16.195 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.056 17.715 -15.505 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.190 17.246 -16.955 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.841 20.240 -17.419 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.303 22.150 -18.388 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.342 18.246 -16.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.084 22.687 -18.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.381 19.527 -16.828 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.302 21.676 -17.969 1.00 0.00 H new ATOM 335 N VAL A 23 4.861 15.791 -14.846 1.00 0.00 N ATOM 336 CA VAL A 23 4.720 14.650 -13.957 1.00 0.00 C ATOM 337 C VAL A 23 5.408 13.434 -14.581 1.00 0.00 C ATOM 338 O VAL A 23 4.906 12.859 -15.545 1.00 0.00 O ATOM 339 CB VAL A 23 3.241 14.407 -13.650 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.648 15.570 -12.851 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.447 14.163 -14.933 1.00 0.00 C ATOM 0 H VAL A 23 5.023 15.552 -15.824 1.00 0.00 H new ATOM 0 HA VAL A 23 5.209 14.846 -13.003 1.00 0.00 H new ATOM 0 HB VAL A 23 3.170 13.509 -13.037 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.596 15.372 -12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.187 15.677 -11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.738 16.491 -13.427 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.399 13.993 -14.686 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.530 15.034 -15.583 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.845 13.288 -15.446 1.00 0.00 H new ATOM 351 N ILE A 24 6.548 13.079 -14.005 1.00 0.00 N ATOM 352 CA ILE A 24 7.310 11.943 -14.492 1.00 0.00 C ATOM 353 C ILE A 24 6.487 10.666 -14.309 1.00 0.00 C ATOM 354 O ILE A 24 6.314 10.191 -13.187 1.00 0.00 O ATOM 355 CB ILE A 24 8.684 11.891 -13.820 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.723 11.257 -14.746 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.607 11.176 -12.470 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.571 9.735 -14.780 1.00 0.00 C ATOM 0 H ILE A 24 6.962 13.559 -13.206 1.00 0.00 H new ATOM 0 HA ILE A 24 7.507 12.046 -15.559 1.00 0.00 H new ATOM 0 HB ILE A 24 9.008 12.913 -13.625 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.612 11.660 -15.753 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.725 11.518 -14.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.597 11.153 -12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.918 11.709 -11.815 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.252 10.156 -12.618 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.322 9.309 -15.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.707 9.333 -13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.576 9.477 -15.143 1.00 0.00 H new ATOM 370 N LEU A 25 6.002 10.147 -15.428 1.00 0.00 N ATOM 371 CA LEU A 25 5.201 8.935 -15.403 1.00 0.00 C ATOM 372 C LEU A 25 5.727 7.962 -16.461 1.00 0.00 C ATOM 373 O LEU A 25 6.104 8.374 -17.556 1.00 0.00 O ATOM 374 CB LEU A 25 3.717 9.270 -15.560 1.00 0.00 C ATOM 375 CG LEU A 25 3.302 9.871 -16.904 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.983 8.773 -17.921 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.139 10.849 -16.732 1.00 0.00 C ATOM 0 H LEU A 25 6.148 10.543 -16.356 1.00 0.00 H new ATOM 0 HA LEU A 25 5.291 8.438 -14.437 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.141 8.359 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.437 9.968 -14.771 1.00 0.00 H new ATOM 0 HG LEU A 25 4.144 10.440 -17.298 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.691 9.228 -18.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.865 8.151 -18.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.165 8.157 -17.547 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.864 11.262 -17.703 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.284 10.326 -16.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.439 11.658 -16.066 1.00 0.00 H new ATOM 389 N HIS A 26 5.735 6.688 -16.095 1.00 0.00 N ATOM 390 CA HIS A 26 6.207 5.653 -16.999 1.00 0.00 C ATOM 391 C HIS A 26 7.612 6.005 -17.493 1.00 0.00 C ATOM 392 O HIS A 26 7.959 5.728 -18.640 1.00 0.00 O ATOM 393 CB HIS A 26 5.214 5.435 -18.143 1.00 0.00 C ATOM 394 CG HIS A 26 4.691 4.022 -18.240 1.00 0.00 C ATOM 395 ND1 HIS A 26 5.024 3.170 -19.278 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.856 3.322 -17.419 1.00 0.00 C ATOM 397 CE1 HIS A 26 4.411 2.012 -19.081 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.687 2.109 -17.929 1.00 0.00 N ATOM 0 H HIS A 26 5.422 6.350 -15.185 1.00 0.00 H new ATOM 0 HA HIS A 26 6.273 4.704 -16.467 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.372 6.115 -18.014 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.696 5.699 -19.084 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.409 3.692 -16.509 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.474 1.144 -19.720 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.110 1.370 -17.526 1.00 0.00 H new ATOM 406 N HIS A 27 8.383 6.611 -16.602 1.00 0.00 N ATOM 407 CA HIS A 27 9.742 7.004 -16.933 1.00 0.00 C ATOM 408 C HIS A 27 9.714 8.106 -17.993 1.00 0.00 C ATOM 409 O HIS A 27 10.749 8.453 -18.560 1.00 0.00 O ATOM 410 CB HIS A 27 10.570 5.790 -17.360 1.00 0.00 C ATOM 411 CG HIS A 27 10.635 4.694 -16.322 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.661 4.951 -14.962 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.677 3.338 -16.459 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.718 3.793 -14.320 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.728 2.795 -15.249 1.00 0.00 N ATOM 0 H HIS A 27 8.092 6.839 -15.651 1.00 0.00 H new ATOM 0 HA HIS A 27 10.232 7.412 -16.049 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.149 5.381 -18.279 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.584 6.118 -17.591 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.670 2.797 -17.394 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.751 3.663 -13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.768 1.796 -15.047 1.00 0.00 H new ATOM 423 N LYS A 28 8.519 8.625 -18.230 1.00 0.00 N ATOM 424 CA LYS A 28 8.342 9.681 -19.213 1.00 0.00 C ATOM 425 C LYS A 28 7.514 10.810 -18.598 1.00 0.00 C ATOM 426 O LYS A 28 6.351 10.613 -18.248 1.00 0.00 O ATOM 427 CB LYS A 28 7.749 9.116 -20.505 1.00 0.00 C ATOM 428 CG LYS A 28 8.609 7.972 -21.048 1.00 0.00 C ATOM 429 CD LYS A 28 7.735 6.845 -21.602 1.00 0.00 C ATOM 430 CE LYS A 28 6.911 7.327 -22.799 1.00 0.00 C ATOM 431 NZ LYS A 28 6.032 6.244 -23.292 1.00 0.00 N ATOM 0 H LYS A 28 7.663 8.334 -17.758 1.00 0.00 H new ATOM 0 HA LYS A 28 9.305 10.108 -19.492 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.736 8.758 -20.319 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.675 9.907 -21.252 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.266 8.347 -21.833 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.249 7.585 -20.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.364 6.007 -21.903 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.069 6.479 -20.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.309 8.189 -22.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.576 7.655 -23.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.480 6.587 -24.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.612 5.433 -23.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.385 5.950 -22.533 1.00 0.00 H new ATOM 445 N VAL A 29 8.143 11.970 -18.486 1.00 0.00 N ATOM 446 CA VAL A 29 7.479 13.132 -17.920 1.00 0.00 C ATOM 447 C VAL A 29 6.631 13.805 -19.001 1.00 0.00 C ATOM 448 O VAL A 29 7.039 13.883 -20.158 1.00 0.00 O ATOM 449 CB VAL A 29 8.511 14.073 -17.297 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.613 14.420 -18.300 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.843 15.340 -16.759 1.00 0.00 C ATOM 0 H VAL A 29 9.107 12.131 -18.778 1.00 0.00 H new ATOM 0 HA VAL A 29 6.805 12.834 -17.117 1.00 0.00 H new ATOM 0 HB VAL A 29 8.973 13.554 -16.457 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.334 15.090 -17.831 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.118 13.507 -18.616 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.173 14.910 -19.169 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.599 15.992 -16.321 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.342 15.862 -17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.111 15.070 -15.997 1.00 0.00 H new ATOM 461 N TYR A 30 5.464 14.275 -18.584 1.00 0.00 N ATOM 462 CA TYR A 30 4.554 14.939 -19.502 1.00 0.00 C ATOM 463 C TYR A 30 4.284 16.379 -19.061 1.00 0.00 C ATOM 464 O TYR A 30 4.092 16.643 -17.875 1.00 0.00 O ATOM 465 CB TYR A 30 3.245 14.148 -19.446 1.00 0.00 C ATOM 466 CG TYR A 30 3.326 12.765 -20.097 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.273 11.856 -19.672 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.451 12.428 -21.110 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.348 10.556 -20.286 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.526 11.127 -21.723 1.00 0.00 C ATOM 471 CZ TYR A 30 3.471 10.255 -21.280 1.00 0.00 C ATOM 472 OH TYR A 30 3.543 9.027 -21.860 1.00 0.00 O ATOM 0 H TYR A 30 5.128 14.209 -17.623 1.00 0.00 H new ATOM 0 HA TYR A 30 4.979 14.973 -20.505 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.947 14.031 -18.404 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.462 14.725 -19.938 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.958 12.120 -18.879 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.710 13.140 -21.443 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.085 9.835 -19.964 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.847 10.850 -22.516 1.00 0.00 H new ATOM 0 HH TYR A 30 2.855 8.952 -22.553 1.00 0.00 H new ATOM 482 N ASP A 31 4.280 17.273 -20.039 1.00 0.00 N ATOM 483 CA ASP A 31 4.036 18.679 -19.766 1.00 0.00 C ATOM 484 C ASP A 31 2.543 18.973 -19.917 1.00 0.00 C ATOM 485 O ASP A 31 2.105 19.472 -20.952 1.00 0.00 O ATOM 486 CB ASP A 31 4.795 19.570 -20.752 1.00 0.00 C ATOM 487 CG ASP A 31 4.405 21.049 -20.719 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.972 21.766 -19.866 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.548 21.430 -21.546 1.00 0.00 O ATOM 0 H ASP A 31 4.442 17.051 -21.021 1.00 0.00 H new ATOM 0 HA ASP A 31 4.376 18.889 -18.752 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.862 19.486 -20.547 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.634 19.190 -21.761 1.00 0.00 H new ATOM 494 N LEU A 32 1.800 18.649 -18.867 1.00 0.00 N ATOM 495 CA LEU A 32 0.364 18.872 -18.870 1.00 0.00 C ATOM 496 C LEU A 32 0.074 20.303 -18.411 1.00 0.00 C ATOM 497 O LEU A 32 -1.040 20.609 -17.987 1.00 0.00 O ATOM 498 CB LEU A 32 -0.345 17.803 -18.036 1.00 0.00 C ATOM 499 CG LEU A 32 0.429 17.273 -16.827 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.526 16.806 -15.726 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.407 16.171 -17.243 1.00 0.00 C ATOM 0 H LEU A 32 2.166 18.234 -18.010 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.036 18.773 -19.879 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.292 18.213 -17.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.584 16.962 -18.687 1.00 0.00 H new ATOM 0 HG LEU A 32 1.020 18.090 -16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.050 16.434 -14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.147 17.642 -15.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.162 16.009 -16.110 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.945 15.811 -16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.855 15.346 -17.694 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.118 16.570 -17.966 1.00 0.00 H new ATOM 513 N THR A 33 1.094 21.141 -18.513 1.00 0.00 N ATOM 514 CA THR A 33 0.963 22.533 -18.113 1.00 0.00 C ATOM 515 C THR A 33 0.044 23.280 -19.081 1.00 0.00 C ATOM 516 O THR A 33 -0.529 24.309 -18.729 1.00 0.00 O ATOM 517 CB THR A 33 2.367 23.133 -18.023 1.00 0.00 C ATOM 518 OG1 THR A 33 2.277 24.067 -16.950 1.00 0.00 O ATOM 519 CG2 THR A 33 2.714 23.995 -19.239 1.00 0.00 C ATOM 0 H THR A 33 2.015 20.884 -18.867 1.00 0.00 H new ATOM 0 HA THR A 33 0.493 22.621 -17.133 1.00 0.00 H new ATOM 0 HB THR A 33 3.099 22.331 -17.925 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.444 24.577 -17.029 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.721 24.397 -19.125 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.666 23.386 -20.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.002 24.817 -19.317 1.00 0.00 H new ATOM 527 N LYS A 34 -0.068 22.732 -20.283 1.00 0.00 N ATOM 528 CA LYS A 34 -0.909 23.334 -21.304 1.00 0.00 C ATOM 529 C LYS A 34 -2.323 22.762 -21.197 1.00 0.00 C ATOM 530 O LYS A 34 -3.297 23.511 -21.130 1.00 0.00 O ATOM 531 CB LYS A 34 -0.278 23.160 -22.687 1.00 0.00 C ATOM 532 CG LYS A 34 -0.882 24.144 -23.693 1.00 0.00 C ATOM 533 CD LYS A 34 -0.215 25.517 -23.584 1.00 0.00 C ATOM 534 CE LYS A 34 -1.217 26.636 -23.873 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.608 27.958 -23.603 1.00 0.00 N ATOM 0 H LYS A 34 0.409 21.878 -20.572 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.988 24.410 -21.147 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.799 23.316 -22.622 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.431 22.138 -23.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.761 23.756 -24.704 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.953 24.241 -23.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.201 25.645 -22.585 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.617 25.578 -24.286 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.541 26.583 -24.913 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.106 26.505 -23.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.301 28.707 -23.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.321 28.011 -22.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.226 28.086 -24.210 1.00 0.00 H new ATOM 549 N PHE A 35 -2.393 21.438 -21.183 1.00 0.00 N ATOM 550 CA PHE A 35 -3.673 20.758 -21.084 1.00 0.00 C ATOM 551 C PHE A 35 -4.132 20.661 -19.629 1.00 0.00 C ATOM 552 O PHE A 35 -5.096 19.961 -19.324 1.00 0.00 O ATOM 553 CB PHE A 35 -3.472 19.346 -21.639 1.00 0.00 C ATOM 554 CG PHE A 35 -3.868 18.233 -20.666 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.038 17.899 -19.642 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.049 17.579 -20.826 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.406 16.867 -18.738 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.416 16.546 -19.923 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.586 16.212 -18.898 1.00 0.00 C ATOM 0 H PHE A 35 -1.584 20.819 -21.239 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.432 21.310 -21.639 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.055 19.240 -22.554 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.424 19.220 -21.913 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.099 18.418 -19.516 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.708 17.845 -21.639 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.748 16.603 -17.923 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.354 16.026 -20.050 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.865 15.426 -18.211 1.00 0.00 H new ATOM 569 N LEU A 36 -3.420 21.374 -18.769 1.00 0.00 N ATOM 570 CA LEU A 36 -3.742 21.377 -17.352 1.00 0.00 C ATOM 571 C LEU A 36 -5.208 21.777 -17.167 1.00 0.00 C ATOM 572 O LEU A 36 -5.926 21.169 -16.375 1.00 0.00 O ATOM 573 CB LEU A 36 -2.761 22.262 -16.580 1.00 0.00 C ATOM 574 CG LEU A 36 -2.274 21.713 -15.238 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.763 21.896 -15.086 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.047 22.338 -14.076 1.00 0.00 C ATOM 0 H LEU A 36 -2.621 21.954 -19.026 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.629 20.377 -16.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.892 22.444 -17.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.235 23.228 -16.404 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.472 20.641 -15.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.443 21.497 -14.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.250 21.365 -15.887 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.518 22.957 -15.139 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.681 21.930 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.904 23.419 -14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.108 22.112 -14.181 1.00 0.00 H new ATOM 588 N GLU A 37 -5.607 22.798 -17.911 1.00 0.00 N ATOM 589 CA GLU A 37 -6.973 23.287 -17.839 1.00 0.00 C ATOM 590 C GLU A 37 -7.909 22.366 -18.626 1.00 0.00 C ATOM 591 O GLU A 37 -9.110 22.328 -18.367 1.00 0.00 O ATOM 592 CB GLU A 37 -7.068 24.727 -18.346 1.00 0.00 C ATOM 593 CG GLU A 37 -8.173 25.494 -17.618 1.00 0.00 C ATOM 594 CD GLU A 37 -9.243 25.979 -18.599 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.881 25.102 -19.222 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.398 27.214 -18.704 1.00 0.00 O ATOM 0 H GLU A 37 -5.008 23.300 -18.567 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.284 23.283 -16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.113 25.232 -18.199 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.267 24.726 -19.418 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.630 24.853 -16.864 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.743 26.347 -17.093 1.00 0.00 H new ATOM 603 N GLU A 38 -7.321 21.647 -19.571 1.00 0.00 N ATOM 604 CA GLU A 38 -8.087 20.729 -20.397 1.00 0.00 C ATOM 605 C GLU A 38 -8.303 19.406 -19.659 1.00 0.00 C ATOM 606 O GLU A 38 -9.017 18.530 -20.147 1.00 0.00 O ATOM 607 CB GLU A 38 -7.398 20.499 -21.744 1.00 0.00 C ATOM 608 CG GLU A 38 -7.883 21.508 -22.787 1.00 0.00 C ATOM 609 CD GLU A 38 -6.723 22.004 -23.652 1.00 0.00 C ATOM 610 OE1 GLU A 38 -5.844 22.687 -23.084 1.00 0.00 O ATOM 611 OE2 GLU A 38 -6.741 21.689 -24.861 1.00 0.00 O ATOM 0 H GLU A 38 -6.324 21.681 -19.783 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.061 21.175 -20.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.318 20.586 -21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.600 19.486 -22.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.641 21.046 -23.419 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.356 22.353 -22.288 1.00 0.00 H new ATOM 618 N HIS A 39 -7.676 19.303 -18.497 1.00 0.00 N ATOM 619 CA HIS A 39 -7.791 18.101 -17.688 1.00 0.00 C ATOM 620 C HIS A 39 -9.009 18.218 -16.769 1.00 0.00 C ATOM 621 O HIS A 39 -9.184 19.228 -16.089 1.00 0.00 O ATOM 622 CB HIS A 39 -6.493 17.835 -16.924 1.00 0.00 C ATOM 623 CG HIS A 39 -6.474 16.516 -16.189 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.328 16.425 -14.815 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.583 15.237 -16.649 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.350 15.145 -14.476 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.507 14.410 -15.614 1.00 0.00 N ATOM 0 H HIS A 39 -7.086 20.032 -18.096 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.947 17.236 -18.332 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.659 17.861 -17.625 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.333 18.641 -16.208 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.222 17.210 -14.173 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.710 14.946 -17.681 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.259 14.752 -13.474 1.00 0.00 H new ATOM 635 N PRO A 40 -9.840 17.141 -16.777 1.00 0.00 N ATOM 636 CA PRO A 40 -11.035 17.113 -15.952 1.00 0.00 C ATOM 637 C PRO A 40 -10.682 16.872 -14.483 1.00 0.00 C ATOM 638 O PRO A 40 -11.547 16.947 -13.612 1.00 0.00 O ATOM 639 CB PRO A 40 -11.896 16.008 -16.544 1.00 0.00 C ATOM 640 CG PRO A 40 -10.958 15.154 -17.381 1.00 0.00 C ATOM 641 CD PRO A 40 -9.663 15.928 -17.569 1.00 0.00 C ATOM 0 HA PRO A 40 -11.570 18.063 -15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.367 15.417 -15.759 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.698 16.422 -17.155 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.765 14.202 -16.886 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.409 14.926 -18.346 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.804 15.352 -17.225 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.490 16.162 -18.619 1.00 0.00 H new ATOM 649 N GLY A 41 -9.408 16.589 -14.252 1.00 0.00 N ATOM 650 CA GLY A 41 -8.930 16.337 -12.904 1.00 0.00 C ATOM 651 C GLY A 41 -9.029 17.598 -12.042 1.00 0.00 C ATOM 652 O GLY A 41 -9.989 17.769 -11.294 1.00 0.00 O ATOM 0 H GLY A 41 -8.692 16.529 -14.976 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.514 15.536 -12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.895 15.996 -12.939 1.00 0.00 H new ATOM 656 N GLY A 42 -8.022 18.449 -12.177 1.00 0.00 N ATOM 657 CA GLY A 42 -7.983 19.689 -11.422 1.00 0.00 C ATOM 658 C GLY A 42 -6.803 20.560 -11.855 1.00 0.00 C ATOM 659 O GLY A 42 -6.213 20.330 -12.910 1.00 0.00 O ATOM 0 H GLY A 42 -7.227 18.303 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.915 20.236 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.905 19.468 -10.358 1.00 0.00 H new ATOM 663 N GLU A 43 -6.495 21.542 -11.021 1.00 0.00 N ATOM 664 CA GLU A 43 -5.395 22.449 -11.306 1.00 0.00 C ATOM 665 C GLU A 43 -4.342 22.369 -10.199 1.00 0.00 C ATOM 666 O GLU A 43 -3.187 22.735 -10.408 1.00 0.00 O ATOM 667 CB GLU A 43 -5.899 23.882 -11.484 1.00 0.00 C ATOM 668 CG GLU A 43 -4.764 24.889 -11.291 1.00 0.00 C ATOM 669 CD GLU A 43 -5.286 26.325 -11.365 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.249 26.539 -12.134 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.712 27.177 -10.653 1.00 0.00 O ATOM 0 H GLU A 43 -6.988 21.730 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.930 22.144 -12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.329 23.999 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.695 24.083 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.285 24.722 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.003 24.735 -12.056 1.00 0.00 H new ATOM 678 N GLU A 44 -4.780 21.891 -9.043 1.00 0.00 N ATOM 679 CA GLU A 44 -3.889 21.761 -7.902 1.00 0.00 C ATOM 680 C GLU A 44 -3.610 20.284 -7.613 1.00 0.00 C ATOM 681 O GLU A 44 -2.977 19.953 -6.613 1.00 0.00 O ATOM 682 CB GLU A 44 -4.469 22.461 -6.671 1.00 0.00 C ATOM 683 CG GLU A 44 -5.705 21.723 -6.153 1.00 0.00 C ATOM 684 CD GLU A 44 -6.976 22.245 -6.825 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.025 23.469 -7.075 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.872 21.409 -7.074 1.00 0.00 O ATOM 0 H GLU A 44 -5.739 21.589 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.945 22.248 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.714 22.509 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.733 23.488 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.601 20.655 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.782 21.849 -5.073 1.00 0.00 H new ATOM 693 N VAL A 45 -4.097 19.437 -8.507 1.00 0.00 N ATOM 694 CA VAL A 45 -3.908 18.004 -8.361 1.00 0.00 C ATOM 695 C VAL A 45 -2.762 17.549 -9.267 1.00 0.00 C ATOM 696 O VAL A 45 -1.908 16.767 -8.849 1.00 0.00 O ATOM 697 CB VAL A 45 -5.220 17.271 -8.646 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.174 18.150 -9.459 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.962 15.940 -9.355 1.00 0.00 C ATOM 0 H VAL A 45 -4.622 19.716 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.629 17.759 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.697 17.054 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.099 17.605 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.396 19.059 -8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.707 18.412 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.911 15.439 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.452 16.124 -10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.338 15.307 -8.724 1.00 0.00 H new ATOM 709 N LEU A 46 -2.777 18.059 -10.489 1.00 0.00 N ATOM 710 CA LEU A 46 -1.750 17.716 -11.457 1.00 0.00 C ATOM 711 C LEU A 46 -0.385 18.149 -10.921 1.00 0.00 C ATOM 712 O LEU A 46 0.523 17.330 -10.788 1.00 0.00 O ATOM 713 CB LEU A 46 -2.087 18.305 -12.828 1.00 0.00 C ATOM 714 CG LEU A 46 -3.564 18.283 -13.223 1.00 0.00 C ATOM 715 CD1 LEU A 46 -3.752 18.738 -14.673 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.180 16.905 -12.971 1.00 0.00 C ATOM 0 H LEU A 46 -3.485 18.708 -10.831 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.709 16.636 -11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.740 19.338 -12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.521 17.761 -13.584 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.096 18.994 -12.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.812 18.713 -14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.375 19.754 -14.787 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.203 18.071 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.231 16.918 -13.261 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.650 16.156 -13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.098 16.658 -11.912 1.00 0.00 H new ATOM 728 N ARG A 47 -0.281 19.437 -10.625 1.00 0.00 N ATOM 729 CA ARG A 47 0.958 19.989 -10.105 1.00 0.00 C ATOM 730 C ARG A 47 1.273 19.388 -8.734 1.00 0.00 C ATOM 731 O ARG A 47 2.436 19.301 -8.343 1.00 0.00 O ATOM 732 CB ARG A 47 0.872 21.511 -9.979 1.00 0.00 C ATOM 733 CG ARG A 47 -0.439 21.933 -9.314 1.00 0.00 C ATOM 734 CD ARG A 47 -0.214 23.104 -8.353 1.00 0.00 C ATOM 735 NE ARG A 47 -0.119 24.370 -9.112 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.149 25.586 -8.551 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.274 25.708 -7.222 1.00 0.00 N ATOM 738 NH2 ARG A 47 -0.055 26.682 -9.317 1.00 0.00 N ATOM 0 H ARG A 47 -1.036 20.114 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 47 1.753 19.738 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.715 21.879 -9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.946 21.966 -10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.163 22.218 -10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.864 21.089 -8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.034 23.160 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.699 22.945 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.025 24.314 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.346 24.875 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.297 26.634 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.039 26.591 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.078 27.607 -8.888 1.00 0.00 H new ATOM 752 N GLU A 48 0.216 18.986 -8.042 1.00 0.00 N ATOM 753 CA GLU A 48 0.366 18.395 -6.724 1.00 0.00 C ATOM 754 C GLU A 48 1.497 17.364 -6.729 1.00 0.00 C ATOM 755 O GLU A 48 2.149 17.148 -5.709 1.00 0.00 O ATOM 756 CB GLU A 48 -0.946 17.766 -6.253 1.00 0.00 C ATOM 757 CG GLU A 48 -1.348 18.300 -4.876 1.00 0.00 C ATOM 758 CD GLU A 48 -0.207 18.137 -3.870 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.156 16.968 -3.610 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.277 19.181 -3.384 1.00 0.00 O ATOM 0 H GLU A 48 -0.747 19.058 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 48 0.625 19.186 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.735 17.979 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.839 16.682 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.620 19.353 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.231 17.769 -4.519 1.00 0.00 H new ATOM 767 N GLN A 49 1.695 16.757 -7.889 1.00 0.00 N ATOM 768 CA GLN A 49 2.736 15.755 -8.041 1.00 0.00 C ATOM 769 C GLN A 49 3.737 16.186 -9.115 1.00 0.00 C ATOM 770 O GLN A 49 4.330 15.346 -9.789 1.00 0.00 O ATOM 771 CB GLN A 49 2.136 14.386 -8.370 1.00 0.00 C ATOM 772 CG GLN A 49 1.289 13.866 -7.205 1.00 0.00 C ATOM 773 CD GLN A 49 2.135 13.708 -5.940 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.427 14.660 -5.236 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.509 12.456 -5.692 1.00 0.00 N ATOM 0 H GLN A 49 1.152 16.940 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 49 3.266 15.665 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.521 14.460 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.935 13.677 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.466 14.555 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.846 12.907 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.229 11.706 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.076 12.246 -4.870 1.00 0.00 H new ATOM 784 N ALA A 50 3.892 17.496 -9.240 1.00 0.00 N ATOM 785 CA ALA A 50 4.811 18.050 -10.221 1.00 0.00 C ATOM 786 C ALA A 50 6.210 18.140 -9.609 1.00 0.00 C ATOM 787 O ALA A 50 6.779 19.227 -9.510 1.00 0.00 O ATOM 788 CB ALA A 50 4.292 19.408 -10.696 1.00 0.00 C ATOM 0 H ALA A 50 3.397 18.190 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 50 4.876 17.403 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.981 19.824 -11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.309 19.283 -11.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.216 20.086 -9.846 1.00 0.00 H new ATOM 794 N GLY A 51 6.725 16.985 -9.214 1.00 0.00 N ATOM 795 CA GLY A 51 8.046 16.922 -8.613 1.00 0.00 C ATOM 796 C GLY A 51 8.515 15.472 -8.475 1.00 0.00 C ATOM 797 O GLY A 51 9.696 15.178 -8.653 1.00 0.00 O ATOM 0 H GLY A 51 6.251 16.086 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.755 17.481 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.027 17.397 -7.632 1.00 0.00 H new ATOM 801 N GLY A 52 7.566 14.604 -8.157 1.00 0.00 N ATOM 802 CA GLY A 52 7.867 13.191 -7.992 1.00 0.00 C ATOM 803 C GLY A 52 7.252 12.364 -9.123 1.00 0.00 C ATOM 804 O GLY A 52 7.304 12.761 -10.287 1.00 0.00 O ATOM 0 H GLY A 52 6.588 14.851 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.947 13.045 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.484 12.843 -7.033 1.00 0.00 H new ATOM 808 N ASP A 53 6.686 11.229 -8.742 1.00 0.00 N ATOM 809 CA ASP A 53 6.061 10.342 -9.708 1.00 0.00 C ATOM 810 C ASP A 53 4.544 10.372 -9.516 1.00 0.00 C ATOM 811 O ASP A 53 4.039 9.968 -8.470 1.00 0.00 O ATOM 812 CB ASP A 53 6.534 8.900 -9.518 1.00 0.00 C ATOM 813 CG ASP A 53 5.962 8.189 -8.291 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.948 8.831 -7.218 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.551 7.020 -8.451 1.00 0.00 O ATOM 0 H ASP A 53 6.647 10.903 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 53 6.336 10.683 -10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.271 8.327 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.622 8.897 -9.447 1.00 0.00 H new ATOM 820 N ALA A 54 3.859 10.854 -10.543 1.00 0.00 N ATOM 821 CA ALA A 54 2.409 10.942 -10.500 1.00 0.00 C ATOM 822 C ALA A 54 1.808 9.650 -11.057 1.00 0.00 C ATOM 823 O ALA A 54 0.622 9.381 -10.870 1.00 0.00 O ATOM 824 CB ALA A 54 1.949 12.180 -11.273 1.00 0.00 C ATOM 0 H ALA A 54 4.281 11.188 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 54 2.061 11.052 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.861 12.246 -11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.380 13.073 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.277 12.104 -12.310 1.00 0.00 H new ATOM 830 N THR A 55 2.653 8.885 -11.732 1.00 0.00 N ATOM 831 CA THR A 55 2.219 7.628 -12.318 1.00 0.00 C ATOM 832 C THR A 55 1.469 6.787 -11.283 1.00 0.00 C ATOM 833 O THR A 55 0.616 5.976 -11.637 1.00 0.00 O ATOM 834 CB THR A 55 3.451 6.926 -12.894 1.00 0.00 C ATOM 835 OG1 THR A 55 3.034 5.573 -13.060 1.00 0.00 O ATOM 836 CG2 THR A 55 4.601 6.841 -11.889 1.00 0.00 C ATOM 0 H THR A 55 3.636 9.111 -11.886 1.00 0.00 H new ATOM 0 HA THR A 55 1.511 7.793 -13.130 1.00 0.00 H new ATOM 0 HB THR A 55 3.787 7.457 -13.785 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.772 5.046 -13.431 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.449 6.334 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.898 7.846 -11.590 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.277 6.282 -11.011 1.00 0.00 H new ATOM 844 N GLU A 56 1.816 7.010 -10.024 1.00 0.00 N ATOM 845 CA GLU A 56 1.185 6.283 -8.934 1.00 0.00 C ATOM 846 C GLU A 56 -0.248 6.776 -8.727 1.00 0.00 C ATOM 847 O GLU A 56 -1.162 5.975 -8.537 1.00 0.00 O ATOM 848 CB GLU A 56 2.001 6.411 -7.646 1.00 0.00 C ATOM 849 CG GLU A 56 2.588 7.817 -7.506 1.00 0.00 C ATOM 850 CD GLU A 56 2.631 8.250 -6.040 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.631 7.979 -5.339 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.662 8.840 -5.651 1.00 0.00 O ATOM 0 H GLU A 56 2.525 7.683 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 56 1.150 5.226 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.368 6.190 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.806 5.676 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.594 7.838 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.989 8.524 -8.080 1.00 0.00 H new ATOM 859 N ASN A 57 -0.400 8.091 -8.771 1.00 0.00 N ATOM 860 CA ASN A 57 -1.707 8.701 -8.590 1.00 0.00 C ATOM 861 C ASN A 57 -2.465 8.675 -9.918 1.00 0.00 C ATOM 862 O ASN A 57 -3.689 8.563 -9.937 1.00 0.00 O ATOM 863 CB ASN A 57 -1.579 10.159 -8.146 1.00 0.00 C ATOM 864 CG ASN A 57 -1.432 10.258 -6.626 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.392 9.973 -6.057 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.530 10.680 -6.004 1.00 0.00 N ATOM 0 H ASN A 57 0.361 8.752 -8.929 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.239 8.137 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.715 10.616 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.457 10.719 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.534 10.782 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.368 10.902 -6.542 1.00 0.00 H new ATOM 873 N PHE A 58 -1.705 8.782 -10.999 1.00 0.00 N ATOM 874 CA PHE A 58 -2.288 8.773 -12.329 1.00 0.00 C ATOM 875 C PHE A 58 -2.850 7.392 -12.672 1.00 0.00 C ATOM 876 O PHE A 58 -3.915 7.283 -13.279 1.00 0.00 O ATOM 877 CB PHE A 58 -1.167 9.113 -13.312 1.00 0.00 C ATOM 878 CG PHE A 58 -1.537 8.887 -14.780 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.736 7.625 -15.245 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.666 9.949 -15.619 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.079 7.416 -16.607 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.009 9.741 -16.982 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.209 8.478 -17.447 1.00 0.00 C ATOM 0 H PHE A 58 -0.689 8.875 -10.980 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.106 9.492 -12.381 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.882 10.156 -13.176 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.291 8.510 -13.072 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.633 6.781 -14.578 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.508 10.951 -15.249 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.237 6.413 -16.976 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.111 10.585 -17.648 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.471 8.319 -18.483 1.00 0.00 H new ATOM 893 N GLU A 59 -2.110 6.370 -12.268 1.00 0.00 N ATOM 894 CA GLU A 59 -2.520 5.001 -12.525 1.00 0.00 C ATOM 895 C GLU A 59 -3.600 4.574 -11.528 1.00 0.00 C ATOM 896 O GLU A 59 -4.328 3.613 -11.769 1.00 0.00 O ATOM 897 CB GLU A 59 -1.323 4.050 -12.476 1.00 0.00 C ATOM 898 CG GLU A 59 -0.850 3.837 -11.036 1.00 0.00 C ATOM 899 CD GLU A 59 -1.736 2.822 -10.313 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.043 1.787 -10.941 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.085 3.104 -9.146 1.00 0.00 O ATOM 0 H GLU A 59 -1.228 6.463 -11.764 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.940 4.952 -13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.597 3.092 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.507 4.456 -13.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.183 3.488 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.866 4.786 -10.500 1.00 0.00 H new ATOM 908 N ASP A 60 -3.667 5.309 -10.428 1.00 0.00 N ATOM 909 CA ASP A 60 -4.645 5.019 -9.392 1.00 0.00 C ATOM 910 C ASP A 60 -6.052 5.243 -9.949 1.00 0.00 C ATOM 911 O ASP A 60 -6.890 4.343 -9.912 1.00 0.00 O ATOM 912 CB ASP A 60 -4.462 5.943 -8.187 1.00 0.00 C ATOM 913 CG ASP A 60 -5.674 6.045 -7.260 1.00 0.00 C ATOM 914 OD1 ASP A 60 -5.757 5.206 -6.338 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.492 6.961 -7.495 1.00 0.00 O ATOM 0 H ASP A 60 -3.060 6.105 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.506 3.985 -9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.608 5.593 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.215 6.941 -8.548 1.00 0.00 H new ATOM 920 N VAL A 61 -6.269 6.449 -10.454 1.00 0.00 N ATOM 921 CA VAL A 61 -7.561 6.804 -11.018 1.00 0.00 C ATOM 922 C VAL A 61 -7.859 5.892 -12.210 1.00 0.00 C ATOM 923 O VAL A 61 -9.013 5.746 -12.612 1.00 0.00 O ATOM 924 CB VAL A 61 -7.585 8.289 -11.380 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.245 8.729 -11.977 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.738 8.604 -12.334 1.00 0.00 C ATOM 0 H VAL A 61 -5.572 7.193 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.353 6.651 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.747 8.854 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.288 9.789 -12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.450 8.559 -11.251 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.042 8.152 -12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.731 9.667 -12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.622 8.024 -13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.684 8.346 -11.859 1.00 0.00 H new ATOM 936 N GLY A 62 -6.799 5.303 -12.743 1.00 0.00 N ATOM 937 CA GLY A 62 -6.932 4.409 -13.881 1.00 0.00 C ATOM 938 C GLY A 62 -7.379 5.175 -15.129 1.00 0.00 C ATOM 939 O GLY A 62 -8.559 5.168 -15.477 1.00 0.00 O ATOM 0 H GLY A 62 -5.844 5.427 -12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.979 3.916 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.655 3.627 -13.651 1.00 0.00 H new ATOM 943 N HIS A 63 -6.412 5.816 -15.768 1.00 0.00 N ATOM 944 CA HIS A 63 -6.690 6.585 -16.970 1.00 0.00 C ATOM 945 C HIS A 63 -7.028 5.635 -18.119 1.00 0.00 C ATOM 946 O HIS A 63 -6.351 4.627 -18.317 1.00 0.00 O ATOM 947 CB HIS A 63 -5.525 7.521 -17.297 1.00 0.00 C ATOM 948 CG HIS A 63 -5.420 8.716 -16.379 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.842 8.648 -15.124 1.00 0.00 N ATOM 950 CD2 HIS A 63 -5.825 10.007 -16.548 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.902 9.850 -14.570 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.512 10.691 -15.453 1.00 0.00 N ATOM 0 H HIS A 63 -5.435 5.819 -15.476 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.558 7.224 -16.806 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.594 6.956 -17.249 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.632 7.872 -18.323 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.438 7.814 -14.698 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.317 10.406 -17.423 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.533 10.117 -13.591 1.00 0.00 H new ATOM 960 N SER A 64 -8.077 5.989 -18.848 1.00 0.00 N ATOM 961 CA SER A 64 -8.513 5.180 -19.974 1.00 0.00 C ATOM 962 C SER A 64 -7.350 4.963 -20.944 1.00 0.00 C ATOM 963 O SER A 64 -6.300 5.588 -20.809 1.00 0.00 O ATOM 964 CB SER A 64 -9.693 5.834 -20.696 1.00 0.00 C ATOM 965 OG SER A 64 -10.683 4.880 -21.073 1.00 0.00 O ATOM 0 H SER A 64 -8.637 6.825 -18.681 1.00 0.00 H new ATOM 0 HA SER A 64 -8.845 4.214 -19.594 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.143 6.586 -20.048 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.332 6.353 -21.584 1.00 0.00 H new ATOM 0 HG SER A 64 -11.420 5.337 -21.530 1.00 0.00 H new ATOM 971 N THR A 65 -7.578 4.075 -21.901 1.00 0.00 N ATOM 972 CA THR A 65 -6.563 3.766 -22.893 1.00 0.00 C ATOM 973 C THR A 65 -6.378 4.946 -23.850 1.00 0.00 C ATOM 974 O THR A 65 -5.309 5.113 -24.435 1.00 0.00 O ATOM 975 CB THR A 65 -6.968 2.470 -23.598 1.00 0.00 C ATOM 976 OG1 THR A 65 -6.670 1.451 -22.647 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.065 2.144 -24.789 1.00 0.00 C ATOM 0 H THR A 65 -8.451 3.560 -22.010 1.00 0.00 H new ATOM 0 HA THR A 65 -5.590 3.608 -22.428 1.00 0.00 H new ATOM 0 HB THR A 65 -8.001 2.549 -23.937 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.904 0.576 -23.021 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.396 1.215 -25.253 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.118 2.953 -25.518 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.037 2.032 -24.446 1.00 0.00 H new ATOM 985 N ASP A 66 -7.436 5.734 -23.979 1.00 0.00 N ATOM 986 CA ASP A 66 -7.403 6.893 -24.854 1.00 0.00 C ATOM 987 C ASP A 66 -6.488 7.959 -24.249 1.00 0.00 C ATOM 988 O ASP A 66 -6.169 8.951 -24.901 1.00 0.00 O ATOM 989 CB ASP A 66 -8.798 7.502 -25.014 1.00 0.00 C ATOM 990 CG ASP A 66 -9.594 7.643 -23.716 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.145 8.431 -22.857 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.636 6.958 -23.611 1.00 0.00 O ATOM 0 H ASP A 66 -8.321 5.592 -23.492 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.037 6.569 -25.828 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.698 8.487 -25.470 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.370 6.886 -25.708 1.00 0.00 H new ATOM 997 N VAL A 67 -6.094 7.719 -23.007 1.00 0.00 N ATOM 998 CA VAL A 67 -5.222 8.645 -22.305 1.00 0.00 C ATOM 999 C VAL A 67 -3.822 8.587 -22.921 1.00 0.00 C ATOM 1000 O VAL A 67 -3.099 9.582 -22.922 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.230 8.340 -20.807 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.988 7.543 -20.402 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.348 9.624 -19.985 1.00 0.00 C ATOM 0 H VAL A 67 -6.363 6.896 -22.468 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.583 9.667 -22.415 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.106 7.726 -20.597 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.019 7.340 -19.332 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.966 6.601 -20.950 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.093 8.120 -20.636 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.351 9.377 -18.923 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.502 10.275 -20.204 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.275 10.136 -20.241 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.482 7.412 -23.427 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.181 7.210 -24.042 1.00 0.00 C ATOM 1015 C ARG A 68 -2.032 8.108 -25.273 1.00 0.00 C ATOM 1016 O ARG A 68 -0.944 8.612 -25.549 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.989 5.750 -24.459 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.570 5.512 -24.982 1.00 0.00 C ATOM 1019 CD ARG A 68 -0.537 4.334 -25.958 1.00 0.00 C ATOM 1020 NE ARG A 68 0.578 3.424 -25.614 1.00 0.00 N ATOM 1021 CZ ARG A 68 1.140 2.564 -26.476 1.00 0.00 C ATOM 1022 NH1 ARG A 68 0.693 2.492 -27.737 1.00 0.00 N ATOM 1023 NH2 ARG A 68 2.147 1.777 -26.076 1.00 0.00 N ATOM 0 H ARG A 68 -4.085 6.589 -23.424 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.421 7.468 -23.304 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.181 5.097 -23.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.713 5.490 -25.231 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.206 6.411 -25.479 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.102 5.316 -24.146 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.483 3.794 -25.921 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.418 4.699 -26.978 1.00 0.00 H new ATOM 0 HE ARG A 68 0.942 3.453 -24.662 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.074 3.091 -28.041 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.120 1.838 -28.393 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.487 1.832 -25.116 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.574 1.123 -26.732 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.140 8.280 -25.978 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.146 9.109 -27.172 1.00 0.00 C ATOM 1039 C GLU A 69 -3.694 10.500 -26.850 1.00 0.00 C ATOM 1040 O GLU A 69 -4.276 11.157 -27.711 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.951 8.449 -28.293 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.432 8.352 -27.922 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.138 7.281 -28.755 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.489 7.600 -29.911 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.311 6.166 -28.216 1.00 0.00 O ATOM 0 H GLU A 69 -4.040 7.860 -25.746 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.119 9.217 -27.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.840 9.024 -29.212 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.556 7.452 -28.491 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.530 8.117 -26.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.914 9.317 -28.080 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.488 10.909 -25.607 1.00 0.00 N ATOM 1053 CA LEU A 70 -3.954 12.210 -25.160 1.00 0.00 C ATOM 1054 C LEU A 70 -2.802 13.215 -25.237 1.00 0.00 C ATOM 1055 O LEU A 70 -2.838 14.145 -26.041 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.585 12.106 -23.769 1.00 0.00 C ATOM 1057 CG LEU A 70 -5.985 12.705 -23.621 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -5.937 14.233 -23.699 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -6.948 12.109 -24.649 1.00 0.00 C ATOM 0 H LEU A 70 -3.004 10.362 -24.895 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.743 12.576 -25.817 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.631 11.053 -23.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.924 12.597 -23.054 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.366 12.444 -22.634 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.945 14.635 -23.591 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.305 14.618 -22.899 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.527 14.535 -24.663 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.936 12.552 -24.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.583 12.319 -25.654 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.013 11.031 -24.505 1.00 0.00 H new ATOM 1071 N SER A 71 -1.806 12.992 -24.392 1.00 0.00 N ATOM 1072 CA SER A 71 -0.646 13.865 -24.355 1.00 0.00 C ATOM 1073 C SER A 71 0.378 13.419 -25.400 1.00 0.00 C ATOM 1074 O SER A 71 1.467 12.966 -25.052 1.00 0.00 O ATOM 1075 CB SER A 71 -0.012 13.881 -22.962 1.00 0.00 C ATOM 1076 OG SER A 71 -0.751 14.686 -22.048 1.00 0.00 O ATOM 0 H SER A 71 -1.779 12.219 -23.727 1.00 0.00 H new ATOM 0 HA SER A 71 -0.973 14.879 -24.586 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.049 12.862 -22.580 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.009 14.257 -23.033 1.00 0.00 H new ATOM 0 HG SER A 71 -0.315 14.669 -21.171 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.007 13.562 -26.659 1.00 0.00 N ATOM 1083 CA LYS A 72 0.865 13.178 -27.757 1.00 0.00 C ATOM 1084 C LYS A 72 1.952 14.240 -27.934 1.00 0.00 C ATOM 1085 O LYS A 72 3.139 13.918 -27.973 1.00 0.00 O ATOM 1086 CB LYS A 72 0.047 12.919 -29.024 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.132 11.418 -29.262 1.00 0.00 C ATOM 1088 CD LYS A 72 -1.603 11.073 -29.507 1.00 0.00 C ATOM 1089 CE LYS A 72 -1.997 11.349 -30.958 1.00 0.00 C ATOM 1090 NZ LYS A 72 -3.455 11.573 -31.066 1.00 0.00 N ATOM 0 H LYS A 72 -0.911 13.938 -26.944 1.00 0.00 H new ATOM 0 HA LYS A 72 1.370 12.238 -27.533 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.929 13.396 -28.935 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.545 13.370 -29.882 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.466 11.108 -30.119 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.237 10.863 -28.399 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.778 10.023 -29.273 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.234 11.658 -28.838 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.461 12.223 -31.326 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.705 10.508 -31.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.705 11.759 -32.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.962 10.728 -30.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.725 12.390 -30.482 1.00 0.00 H new ATOM 1104 N THR A 73 1.509 15.484 -28.034 1.00 0.00 N ATOM 1105 CA THR A 73 2.429 16.595 -28.206 1.00 0.00 C ATOM 1106 C THR A 73 2.905 17.108 -26.845 1.00 0.00 C ATOM 1107 O THR A 73 4.089 17.393 -26.664 1.00 0.00 O ATOM 1108 CB THR A 73 1.729 17.664 -29.047 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.817 17.169 -30.381 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.508 18.981 -29.086 1.00 0.00 C ATOM 0 H THR A 73 0.524 15.747 -27.999 1.00 0.00 H new ATOM 0 HA THR A 73 3.330 16.284 -28.735 1.00 0.00 H new ATOM 0 HB THR A 73 0.731 17.844 -28.648 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.385 17.801 -30.993 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.968 19.705 -29.696 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.617 19.369 -28.073 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.494 18.808 -29.517 1.00 0.00 H new ATOM 1118 N TYR A 74 1.959 17.212 -25.923 1.00 0.00 N ATOM 1119 CA TYR A 74 2.267 17.685 -24.584 1.00 0.00 C ATOM 1120 C TYR A 74 3.540 17.025 -24.048 1.00 0.00 C ATOM 1121 O TYR A 74 4.327 17.664 -23.353 1.00 0.00 O ATOM 1122 CB TYR A 74 1.084 17.270 -23.708 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.228 17.976 -24.058 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.205 19.238 -24.617 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.434 17.352 -23.814 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.439 19.903 -24.946 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.668 18.017 -24.143 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.610 19.260 -24.694 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.775 19.887 -25.004 1.00 0.00 O ATOM 0 H TYR A 74 0.979 16.977 -26.077 1.00 0.00 H new ATOM 0 HA TYR A 74 2.428 18.763 -24.586 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.940 16.193 -23.796 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.328 17.475 -22.665 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.739 19.727 -24.808 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.453 16.365 -23.376 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.434 20.891 -25.383 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.619 17.540 -23.957 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.530 19.308 -24.770 1.00 0.00 H new ATOM 1139 N ILE A 75 3.700 15.757 -24.393 1.00 0.00 N ATOM 1140 CA ILE A 75 4.862 15.003 -23.955 1.00 0.00 C ATOM 1141 C ILE A 75 6.098 15.904 -24.009 1.00 0.00 C ATOM 1142 O ILE A 75 6.249 16.701 -24.935 1.00 0.00 O ATOM 1143 CB ILE A 75 5.004 13.715 -24.768 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.261 12.559 -24.096 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.477 13.383 -25.016 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.074 11.986 -22.934 1.00 0.00 C ATOM 0 H ILE A 75 3.044 15.232 -24.971 1.00 0.00 H new ATOM 0 HA ILE A 75 4.742 14.686 -22.919 1.00 0.00 H new ATOM 0 HB ILE A 75 4.541 13.872 -25.742 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.294 12.906 -23.732 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.063 11.775 -24.827 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.550 12.463 -25.596 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.946 14.198 -25.568 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.986 13.251 -24.061 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.523 11.166 -22.474 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.030 11.617 -23.306 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.249 12.766 -22.193 1.00 0.00 H new ATOM 1158 N ILE A 76 6.950 15.748 -23.007 1.00 0.00 N ATOM 1159 CA ILE A 76 8.168 16.537 -22.929 1.00 0.00 C ATOM 1160 C ILE A 76 9.365 15.657 -23.292 1.00 0.00 C ATOM 1161 O ILE A 76 10.233 16.069 -24.059 1.00 0.00 O ATOM 1162 CB ILE A 76 8.286 17.204 -21.557 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.395 16.555 -20.727 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.943 17.197 -20.825 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.849 17.482 -19.598 1.00 0.00 C ATOM 0 H ILE A 76 6.821 15.086 -22.241 1.00 0.00 H new ATOM 0 HA ILE A 76 8.142 17.352 -23.652 1.00 0.00 H new ATOM 0 HB ILE A 76 8.564 18.247 -21.707 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.038 15.614 -20.308 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.243 16.316 -21.369 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.056 17.677 -19.853 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.204 17.740 -21.414 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.610 16.169 -20.685 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.638 16.996 -19.023 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.228 18.412 -20.021 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.005 17.699 -18.944 1.00 0.00 H new ATOM 1177 N GLY A 77 9.374 14.461 -22.721 1.00 0.00 N ATOM 1178 CA GLY A 77 10.451 13.519 -22.974 1.00 0.00 C ATOM 1179 C GLY A 77 10.661 12.591 -21.775 1.00 0.00 C ATOM 1180 O GLY A 77 9.752 11.863 -21.382 1.00 0.00 O ATOM 0 H GLY A 77 8.653 14.123 -22.084 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.221 12.928 -23.860 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.372 14.062 -23.184 1.00 0.00 H new ATOM 1184 N GLU A 78 11.866 12.651 -21.227 1.00 0.00 N ATOM 1185 CA GLU A 78 12.208 11.827 -20.081 1.00 0.00 C ATOM 1186 C GLU A 78 13.205 12.557 -19.179 1.00 0.00 C ATOM 1187 O GLU A 78 14.294 12.923 -19.620 1.00 0.00 O ATOM 1188 CB GLU A 78 12.762 10.472 -20.526 1.00 0.00 C ATOM 1189 CG GLU A 78 13.415 10.573 -21.906 1.00 0.00 C ATOM 1190 CD GLU A 78 13.548 9.192 -22.552 1.00 0.00 C ATOM 1191 OE1 GLU A 78 14.227 8.341 -21.937 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.970 9.019 -23.646 1.00 0.00 O ATOM 0 H GLU A 78 12.617 13.258 -21.556 1.00 0.00 H new ATOM 0 HA GLU A 78 11.299 11.641 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.493 10.117 -19.799 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.957 9.737 -20.553 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.819 11.223 -22.547 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.399 11.032 -21.814 1.00 0.00 H new ATOM 1199 N LEU A 79 12.798 12.749 -17.933 1.00 0.00 N ATOM 1200 CA LEU A 79 13.642 13.429 -16.966 1.00 0.00 C ATOM 1201 C LEU A 79 15.079 12.924 -17.105 1.00 0.00 C ATOM 1202 O LEU A 79 16.019 13.716 -17.136 1.00 0.00 O ATOM 1203 CB LEU A 79 13.069 13.278 -15.555 1.00 0.00 C ATOM 1204 CG LEU A 79 13.480 12.014 -14.797 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.000 10.758 -15.526 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.990 11.990 -14.548 1.00 0.00 C ATOM 0 H LEU A 79 11.894 12.445 -17.571 1.00 0.00 H new ATOM 0 HA LEU A 79 13.661 14.501 -17.164 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.371 14.145 -14.967 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.981 13.301 -15.621 1.00 0.00 H new ATOM 0 HG LEU A 79 12.993 12.027 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.305 9.874 -14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.913 10.778 -15.609 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.439 10.726 -16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.255 11.081 -14.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.516 12.012 -15.502 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.275 12.860 -13.957 1.00 0.00 H new ATOM 1218 N HIS A 80 15.204 11.607 -17.185 1.00 0.00 N ATOM 1219 CA HIS A 80 16.511 10.986 -17.319 1.00 0.00 C ATOM 1220 C HIS A 80 16.373 9.468 -17.196 1.00 0.00 C ATOM 1221 O HIS A 80 15.536 8.976 -16.440 1.00 0.00 O ATOM 1222 CB HIS A 80 17.498 11.576 -16.310 1.00 0.00 C ATOM 1223 CG HIS A 80 18.932 11.581 -16.785 1.00 0.00 C ATOM 1224 ND1 HIS A 80 19.857 10.632 -16.385 1.00 0.00 N ATOM 1225 CD2 HIS A 80 19.588 12.427 -17.630 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.015 10.905 -16.968 1.00 0.00 C ATOM 1227 NE2 HIS A 80 20.846 12.018 -17.739 1.00 0.00 N ATOM 0 H HIS A 80 14.422 10.953 -17.160 1.00 0.00 H new ATOM 0 HA HIS A 80 16.920 11.199 -18.307 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.199 12.598 -16.080 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.435 11.009 -15.381 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.157 13.284 -18.126 1.00 0.00 H new ATOM 0 HE1 HIS A 80 21.931 10.345 -16.853 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.568 12.463 -18.306 1.00 0.00 H new ATOM 1235 N PRO A 81 17.228 8.749 -17.970 1.00 0.00 N ATOM 1236 CA PRO A 81 17.209 7.296 -17.956 1.00 0.00 C ATOM 1237 C PRO A 81 17.854 6.752 -16.679 1.00 0.00 C ATOM 1238 O PRO A 81 17.507 5.666 -16.218 1.00 0.00 O ATOM 1239 CB PRO A 81 17.948 6.880 -19.218 1.00 0.00 C ATOM 1240 CG PRO A 81 18.753 8.095 -19.649 1.00 0.00 C ATOM 1241 CD PRO A 81 18.232 9.297 -18.878 1.00 0.00 C ATOM 0 HA PRO A 81 16.198 6.889 -17.950 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.600 6.028 -19.026 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.249 6.578 -19.998 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.813 7.942 -19.447 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.654 8.258 -20.722 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.033 9.793 -18.330 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.797 10.039 -19.548 1.00 0.00 H new ATOM 1249 N ASP A 82 18.782 7.533 -16.145 1.00 0.00 N ATOM 1250 CA ASP A 82 19.479 7.143 -14.930 1.00 0.00 C ATOM 1251 C ASP A 82 18.593 7.447 -13.719 1.00 0.00 C ATOM 1252 O ASP A 82 18.217 6.541 -12.978 1.00 0.00 O ATOM 1253 CB ASP A 82 20.784 7.924 -14.770 1.00 0.00 C ATOM 1254 CG ASP A 82 21.977 7.096 -14.287 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.066 6.891 -13.058 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.774 6.688 -15.160 1.00 0.00 O ATOM 0 H ASP A 82 19.067 8.433 -16.531 1.00 0.00 H new ATOM 0 HA ASP A 82 19.702 6.078 -14.995 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.039 8.377 -15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.618 8.740 -14.066 1.00 0.00 H new ATOM 1261 N ASP A 83 18.286 8.727 -13.558 1.00 0.00 N ATOM 1262 CA ASP A 83 17.453 9.162 -12.451 1.00 0.00 C ATOM 1263 C ASP A 83 16.090 8.472 -12.542 1.00 0.00 C ATOM 1264 O ASP A 83 15.351 8.416 -11.559 1.00 0.00 O ATOM 1265 CB ASP A 83 17.221 10.673 -12.496 1.00 0.00 C ATOM 1266 CG ASP A 83 18.391 11.523 -11.997 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.458 11.453 -12.643 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.192 12.221 -10.980 1.00 0.00 O ATOM 0 H ASP A 83 18.600 9.475 -14.176 1.00 0.00 H new ATOM 0 HA ASP A 83 17.964 8.903 -11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.995 10.960 -13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.340 10.908 -11.898 1.00 0.00 H new ATOM 1273 N ARG A 84 15.799 7.962 -13.729 1.00 0.00 N ATOM 1274 CA ARG A 84 14.537 7.278 -13.961 1.00 0.00 C ATOM 1275 C ARG A 84 14.451 6.018 -13.098 1.00 0.00 C ATOM 1276 O ARG A 84 13.370 5.642 -12.649 1.00 0.00 O ATOM 1277 CB ARG A 84 14.384 6.890 -15.434 1.00 0.00 C ATOM 1278 CG ARG A 84 13.680 5.540 -15.575 1.00 0.00 C ATOM 1279 CD ARG A 84 14.696 4.400 -15.673 1.00 0.00 C ATOM 1280 NE ARG A 84 14.063 3.208 -16.280 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.735 2.245 -16.923 1.00 0.00 C ATOM 1282 NH1 ARG A 84 16.067 2.327 -17.050 1.00 0.00 N ATOM 1283 NH2 ARG A 84 14.077 1.199 -17.442 1.00 0.00 N ATOM 0 H ARG A 84 16.415 8.008 -14.541 1.00 0.00 H new ATOM 0 HA ARG A 84 13.733 7.963 -13.692 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.815 7.657 -15.959 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.366 6.843 -15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.025 5.376 -14.719 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.048 5.546 -16.463 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.550 4.714 -16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.076 4.155 -14.681 1.00 0.00 H new ATOM 0 HE ARG A 84 13.050 3.114 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.569 3.123 -16.657 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.579 1.593 -17.540 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.063 1.136 -17.347 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.590 0.466 -17.932 1.00 0.00 H new ATOM 1297 N SER A 85 15.604 5.400 -12.893 1.00 0.00 N ATOM 1298 CA SER A 85 15.673 4.190 -12.091 1.00 0.00 C ATOM 1299 C SER A 85 15.974 4.544 -10.633 1.00 0.00 C ATOM 1300 O SER A 85 15.895 3.687 -9.754 1.00 0.00 O ATOM 1301 CB SER A 85 16.733 3.229 -12.634 1.00 0.00 C ATOM 1302 OG SER A 85 16.948 2.124 -11.760 1.00 0.00 O ATOM 0 H SER A 85 16.499 5.714 -13.268 1.00 0.00 H new ATOM 0 HA SER A 85 14.706 3.689 -12.144 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.423 2.863 -13.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.671 3.766 -12.777 1.00 0.00 H new ATOM 0 HG SER A 85 16.594 2.336 -10.871 1.00 0.00 H new ATOM 1308 N LYS A 86 16.313 5.807 -10.423 1.00 0.00 N ATOM 1309 CA LYS A 86 16.628 6.285 -9.087 1.00 0.00 C ATOM 1310 C LYS A 86 15.335 6.411 -8.277 1.00 0.00 C ATOM 1311 O LYS A 86 15.287 6.021 -7.112 1.00 0.00 O ATOM 1312 CB LYS A 86 17.436 7.581 -9.157 1.00 0.00 C ATOM 1313 CG LYS A 86 18.905 7.294 -9.477 1.00 0.00 C ATOM 1314 CD LYS A 86 19.688 6.960 -8.205 1.00 0.00 C ATOM 1315 CE LYS A 86 20.907 7.872 -8.057 1.00 0.00 C ATOM 1316 NZ LYS A 86 20.719 8.812 -6.930 1.00 0.00 N ATOM 0 H LYS A 86 16.377 6.514 -11.155 1.00 0.00 H new ATOM 0 HA LYS A 86 17.263 5.568 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.015 8.236 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.364 8.111 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.972 6.463 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.351 8.160 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.040 7.069 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.010 5.919 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.800 7.270 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.065 8.429 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.556 9.423 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.878 9.399 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.590 8.276 -6.048 1.00 0.00 H new ATOM 1330 N ILE A 87 14.317 6.955 -8.929 1.00 0.00 N ATOM 1331 CA ILE A 87 13.027 7.137 -8.286 1.00 0.00 C ATOM 1332 C ILE A 87 12.403 5.768 -8.008 1.00 0.00 C ATOM 1333 O ILE A 87 11.491 5.651 -7.192 1.00 0.00 O ATOM 1334 CB ILE A 87 12.137 8.061 -9.119 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.468 9.530 -8.849 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.657 7.754 -8.884 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.930 9.973 -7.488 1.00 0.00 C ATOM 0 H ILE A 87 14.360 7.276 -9.896 1.00 0.00 H new ATOM 0 HA ILE A 87 13.149 7.634 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 87 12.341 7.874 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.548 9.675 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.039 10.153 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.046 8.425 -9.488 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.450 6.722 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.419 7.896 -7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.179 11.021 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.847 9.850 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.379 9.364 -6.703 1.00 0.00 H new ATOM 1349 N ALA A 88 12.920 4.765 -8.704 1.00 0.00 N ATOM 1350 CA ALA A 88 12.425 3.409 -8.544 1.00 0.00 C ATOM 1351 C ALA A 88 12.150 3.143 -7.063 1.00 0.00 C ATOM 1352 O ALA A 88 13.058 2.785 -6.314 1.00 0.00 O ATOM 1353 CB ALA A 88 13.434 2.423 -9.136 1.00 0.00 C ATOM 0 H ALA A 88 13.677 4.865 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 88 11.487 3.277 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.062 1.406 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.572 2.636 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.388 2.524 -8.619 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -5.934 12.492 -15.533 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.259 12.080 -15.281 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.192 12.530 -18.919 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.593 12.928 -15.767 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.659 12.477 -12.131 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.449 12.322 -16.825 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.769 12.169 -16.509 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.536 12.093 -17.748 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.669 12.226 -18.765 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.365 12.381 -18.187 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.030 12.169 -20.242 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.881 11.318 -17.990 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.230 10.006 -17.251 1.00 0.00 C HETATM 1373 CGA HEM A 95 -11.162 8.777 -18.148 1.00 0.00 C HETATM 1374 O1A HEM A 95 -12.215 8.369 -18.698 1.00 0.00 O HETATM 1375 O2A HEM A 95 -10.053 8.211 -18.326 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.639 12.681 -17.034 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.939 12.667 -18.362 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.733 12.843 -19.153 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.722 12.954 -18.278 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.287 12.872 -16.932 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.595 12.871 -20.667 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.265 13.140 -18.627 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.515 14.097 -18.515 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.419 12.684 -14.212 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.098 12.848 -14.514 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.315 12.914 -13.301 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.210 12.806 -12.250 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.506 12.637 -12.833 1.00 0.00 C HETATM 1389 CMC HEM A 95 -0.843 13.104 -13.141 1.00 0.00 C HETATM 1390 CAC HEM A 95 -2.824 12.840 -10.808 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.063 12.253 -10.273 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.229 12.318 -14.009 1.00 0.00 N HETATM 1393 C1D HEM A 95 -6.921 12.332 -12.662 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.162 12.164 -11.880 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.131 12.056 -12.774 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.565 12.154 -14.098 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.256 12.137 -10.384 1.00 0.00 C HETATM 1398 CAD HEM A 95 -10.737 12.103 -12.629 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.213 13.567 -12.458 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.679 13.636 -12.037 1.00 0.00 C HETATM 1401 O1D HEM A 95 -13.631 13.811 -12.797 1.00 0.00 O HETATM 1402 O2D HEM A 95 -12.733 13.780 -10.720 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.316 12.761 -20.814 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.033 12.570 -20.387 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.000 11.135 -20.584 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.757 13.511 -20.944 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.512 13.262 -21.109 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.417 11.860 -21.035 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.643 13.620 -12.202 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.461 13.699 -13.970 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.349 12.132 -13.134 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -7.332 11.734 -9.969 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -9.094 11.508 -10.083 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.411 13.149 -10.011 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.524 14.016 -18.836 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.884 15.032 -18.094 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -1.908 12.406 -9.205 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.463 11.519 -10.811 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -12.233 10.088 -16.833 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -10.545 9.875 -16.413 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -10.925 11.096 -19.056 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.687 12.020 -17.777 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.077 14.106 -13.396 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -10.596 14.066 -11.711 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.050 11.508 -11.771 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.203 11.662 -13.510 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.326 11.932 -15.201 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.268 12.539 -19.996 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.523 13.049 -15.849 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.577 12.462 -11.054 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.796 12.256 -19.059 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.378 13.551 -10.195 1.00 0.00 H new