USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 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 Set 1.1: A 39 HIS : no HD1:sc= -11.9! C(o=-13!,f=-13!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.642 K(o=-13,f=-19!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -118:sc= 0.0513 (180deg=-0.0267) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0.0471 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -7.3! C(o=-6.4!,f=-14!) USER MOD Set 3.2: A 20 SER OG : rot -134:sc= 0.863 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 15:sc= -1.88 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.0048) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0631 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.03 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.623 X(o=-0.62,f=-0.4) USER MOD Single : A 33 THR OG1 : rot -84:sc= 0.0111 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.34) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -23:sc= 0.549 USER MOD Single : A 71 SER OG : rot 180:sc= -0.139 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= -3.34 K(o=-3.3,f=-5.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.713 12.560 -27.323 1.00 0.00 N ATOM 2 CA VAL A 4 14.353 13.591 -26.364 1.00 0.00 C ATOM 3 C VAL A 4 15.538 13.850 -25.432 1.00 0.00 C ATOM 4 O VAL A 4 16.457 13.036 -25.347 1.00 0.00 O ATOM 5 CB VAL A 4 13.081 13.187 -25.616 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.372 12.930 -24.136 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.988 14.244 -25.784 1.00 0.00 C ATOM 0 HA VAL A 4 14.131 14.528 -26.875 1.00 0.00 H new ATOM 0 HB VAL A 4 12.718 12.256 -26.052 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.451 12.645 -23.628 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.102 12.126 -24.043 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.771 13.836 -23.681 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.095 13.933 -25.243 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.339 15.197 -25.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.750 14.357 -26.842 1.00 0.00 H new ATOM 17 N LYS A 5 15.479 14.987 -24.753 1.00 0.00 N ATOM 18 CA LYS A 5 16.536 15.364 -23.830 1.00 0.00 C ATOM 19 C LYS A 5 16.275 14.712 -22.471 1.00 0.00 C ATOM 20 O LYS A 5 15.131 14.629 -22.027 1.00 0.00 O ATOM 21 CB LYS A 5 16.673 16.887 -23.765 1.00 0.00 C ATOM 22 CG LYS A 5 18.141 17.310 -23.854 1.00 0.00 C ATOM 23 CD LYS A 5 18.376 18.628 -23.117 1.00 0.00 C ATOM 24 CE LYS A 5 18.298 19.815 -24.079 1.00 0.00 C ATOM 25 NZ LYS A 5 19.377 20.788 -23.791 1.00 0.00 N ATOM 0 H LYS A 5 14.715 15.659 -24.824 1.00 0.00 H new ATOM 0 HA LYS A 5 17.499 14.995 -24.182 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.110 17.341 -24.580 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.241 17.255 -22.835 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.774 16.532 -23.427 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.430 17.417 -24.900 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.633 18.745 -22.328 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.353 18.610 -22.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.382 19.463 -25.107 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.327 20.302 -23.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.309 21.587 -24.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.279 21.137 -22.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.301 20.324 -23.901 1.00 0.00 H new ATOM 39 N TYR A 6 17.356 14.267 -21.848 1.00 0.00 N ATOM 40 CA TYR A 6 17.260 13.624 -20.549 1.00 0.00 C ATOM 41 C TYR A 6 17.498 14.631 -19.420 1.00 0.00 C ATOM 42 O TYR A 6 18.638 14.865 -19.023 1.00 0.00 O ATOM 43 CB TYR A 6 18.367 12.569 -20.516 1.00 0.00 C ATOM 44 CG TYR A 6 18.002 11.262 -21.223 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.729 10.743 -21.099 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.945 10.602 -21.985 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.385 9.513 -21.765 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.602 9.373 -22.650 1.00 0.00 C ATOM 49 CZ TYR A 6 17.338 8.888 -22.507 1.00 0.00 C ATOM 50 OH TYR A 6 17.014 7.727 -23.136 1.00 0.00 O ATOM 0 H TYR A 6 18.303 14.339 -22.219 1.00 0.00 H new ATOM 0 HA TYR A 6 16.269 13.194 -20.407 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.263 12.983 -20.979 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.616 12.351 -19.478 1.00 0.00 H new ATOM 0 HD1 TYR A 6 15.991 11.259 -20.503 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.941 11.008 -22.082 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.392 9.096 -21.677 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.331 8.847 -23.249 1.00 0.00 H new ATOM 0 HH TYR A 6 17.792 7.394 -23.630 1.00 0.00 H new ATOM 60 N TYR A 7 16.403 15.198 -18.936 1.00 0.00 N ATOM 61 CA TYR A 7 16.478 16.174 -17.862 1.00 0.00 C ATOM 62 C TYR A 7 16.217 15.517 -16.505 1.00 0.00 C ATOM 63 O TYR A 7 15.234 14.795 -16.340 1.00 0.00 O ATOM 64 CB TYR A 7 15.374 17.195 -18.142 1.00 0.00 C ATOM 65 CG TYR A 7 14.486 16.841 -19.337 1.00 0.00 C ATOM 66 CD1 TYR A 7 14.858 17.221 -20.610 1.00 0.00 C ATOM 67 CD2 TYR A 7 13.314 16.139 -19.142 1.00 0.00 C ATOM 68 CE1 TYR A 7 14.023 16.887 -21.734 1.00 0.00 C ATOM 69 CE2 TYR A 7 12.478 15.805 -20.266 1.00 0.00 C ATOM 70 CZ TYR A 7 12.875 16.196 -21.507 1.00 0.00 C ATOM 71 OH TYR A 7 12.085 15.880 -22.569 1.00 0.00 O ATOM 0 H TYR A 7 15.459 15.000 -19.268 1.00 0.00 H new ATOM 0 HA TYR A 7 17.468 16.629 -17.825 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.749 17.291 -17.254 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.830 18.169 -18.318 1.00 0.00 H new ATOM 0 HD1 TYR A 7 15.776 17.769 -20.763 1.00 0.00 H new ATOM 0 HD2 TYR A 7 13.024 15.840 -18.146 1.00 0.00 H new ATOM 0 HE1 TYR A 7 14.303 17.179 -22.735 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.558 15.257 -20.127 1.00 0.00 H new ATOM 0 HH TYR A 7 12.590 16.003 -23.400 1.00 0.00 H new ATOM 81 N THR A 8 17.114 15.789 -15.570 1.00 0.00 N ATOM 82 CA THR A 8 16.993 15.233 -14.232 1.00 0.00 C ATOM 83 C THR A 8 15.978 16.032 -13.413 1.00 0.00 C ATOM 84 O THR A 8 15.723 17.200 -13.701 1.00 0.00 O ATOM 85 CB THR A 8 18.388 15.201 -13.605 1.00 0.00 C ATOM 86 OG1 THR A 8 18.712 16.574 -13.407 1.00 0.00 O ATOM 87 CG2 THR A 8 19.457 14.703 -14.581 1.00 0.00 C ATOM 0 H THR A 8 17.928 16.387 -15.711 1.00 0.00 H new ATOM 0 HA THR A 8 16.610 14.213 -14.261 1.00 0.00 H new ATOM 0 HB THR A 8 18.375 14.561 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.601 16.645 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.428 14.700 -14.086 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.211 13.692 -14.905 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.494 15.363 -15.448 1.00 0.00 H new ATOM 95 N LEU A 9 15.423 15.368 -12.408 1.00 0.00 N ATOM 96 CA LEU A 9 14.441 16.001 -11.546 1.00 0.00 C ATOM 97 C LEU A 9 14.803 17.476 -11.363 1.00 0.00 C ATOM 98 O LEU A 9 13.922 18.334 -11.303 1.00 0.00 O ATOM 99 CB LEU A 9 14.310 15.234 -10.229 1.00 0.00 C ATOM 100 CG LEU A 9 15.307 14.094 -10.015 1.00 0.00 C ATOM 101 CD1 LEU A 9 16.742 14.622 -9.968 1.00 0.00 C ATOM 102 CD2 LEU A 9 14.953 13.282 -8.768 1.00 0.00 C ATOM 0 H LEU A 9 15.636 14.399 -12.173 1.00 0.00 H new ATOM 0 HA LEU A 9 13.454 15.969 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.416 15.942 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.302 14.824 -10.169 1.00 0.00 H new ATOM 0 HG LEU A 9 15.241 13.418 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.431 13.791 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.977 15.120 -10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.842 15.332 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.678 12.478 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.973 13.932 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.956 12.857 -8.882 1.00 0.00 H new ATOM 114 N GLU A 10 16.101 17.729 -11.282 1.00 0.00 N ATOM 115 CA GLU A 10 16.591 19.085 -11.108 1.00 0.00 C ATOM 116 C GLU A 10 15.756 20.062 -11.938 1.00 0.00 C ATOM 117 O GLU A 10 15.606 21.226 -11.569 1.00 0.00 O ATOM 118 CB GLU A 10 18.073 19.184 -11.474 1.00 0.00 C ATOM 119 CG GLU A 10 18.772 20.265 -10.647 1.00 0.00 C ATOM 120 CD GLU A 10 19.912 20.909 -11.437 1.00 0.00 C ATOM 121 OE1 GLU A 10 19.649 21.308 -12.592 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.023 20.988 -10.869 1.00 0.00 O ATOM 0 H GLU A 10 16.829 17.016 -11.334 1.00 0.00 H new ATOM 0 HA GLU A 10 16.491 19.354 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.558 18.222 -11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.175 19.411 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.050 21.028 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.163 19.829 -9.728 1.00 0.00 H new ATOM 129 N GLU A 11 15.232 19.552 -13.044 1.00 0.00 N ATOM 130 CA GLU A 11 14.416 20.364 -13.930 1.00 0.00 C ATOM 131 C GLU A 11 12.931 20.097 -13.676 1.00 0.00 C ATOM 132 O GLU A 11 12.147 21.030 -13.510 1.00 0.00 O ATOM 133 CB GLU A 11 14.777 20.111 -15.395 1.00 0.00 C ATOM 134 CG GLU A 11 16.294 20.095 -15.591 1.00 0.00 C ATOM 135 CD GLU A 11 16.951 21.290 -14.896 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.784 22.411 -15.420 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.604 21.054 -13.857 1.00 0.00 O ATOM 0 H GLU A 11 15.357 18.586 -13.346 1.00 0.00 H new ATOM 0 HA GLU A 11 14.618 21.414 -13.718 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.355 19.159 -15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.334 20.885 -16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.706 19.167 -15.193 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.527 20.116 -16.656 1.00 0.00 H new ATOM 144 N ILE A 12 12.589 18.817 -13.656 1.00 0.00 N ATOM 145 CA ILE A 12 11.211 18.414 -13.426 1.00 0.00 C ATOM 146 C ILE A 12 10.709 19.048 -12.128 1.00 0.00 C ATOM 147 O ILE A 12 9.554 19.462 -12.040 1.00 0.00 O ATOM 148 CB ILE A 12 11.087 16.890 -13.453 1.00 0.00 C ATOM 149 CG1 ILE A 12 10.634 16.402 -14.831 1.00 0.00 C ATOM 150 CG2 ILE A 12 10.165 16.395 -12.338 1.00 0.00 C ATOM 151 CD1 ILE A 12 11.561 16.924 -15.930 1.00 0.00 C ATOM 0 H ILE A 12 13.242 18.046 -13.795 1.00 0.00 H new ATOM 0 HA ILE A 12 10.569 18.777 -14.228 1.00 0.00 H new ATOM 0 HB ILE A 12 12.073 16.463 -13.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.621 15.312 -14.849 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.614 16.736 -15.022 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.094 15.308 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.569 16.695 -11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.173 16.828 -12.467 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.216 16.562 -16.899 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.553 18.014 -15.926 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.575 16.568 -15.750 1.00 0.00 H new ATOM 163 N GLN A 13 11.602 19.106 -11.150 1.00 0.00 N ATOM 164 CA GLN A 13 11.264 19.684 -9.861 1.00 0.00 C ATOM 165 C GLN A 13 11.234 21.211 -9.954 1.00 0.00 C ATOM 166 O GLN A 13 10.542 21.869 -9.180 1.00 0.00 O ATOM 167 CB GLN A 13 12.242 19.220 -8.779 1.00 0.00 C ATOM 168 CG GLN A 13 13.535 20.036 -8.823 1.00 0.00 C ATOM 169 CD GLN A 13 14.442 19.690 -7.640 1.00 0.00 C ATOM 170 OE1 GLN A 13 14.363 20.274 -6.572 1.00 0.00 O ATOM 171 NE2 GLN A 13 15.306 18.710 -7.890 1.00 0.00 N ATOM 0 H GLN A 13 12.559 18.762 -11.225 1.00 0.00 H new ATOM 0 HA GLN A 13 10.270 19.338 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.778 19.319 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.470 18.163 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.060 19.841 -9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.299 21.100 -8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.319 18.263 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.955 18.405 -7.165 1.00 0.00 H new ATOM 180 N LYS A 14 11.992 21.729 -10.908 1.00 0.00 N ATOM 181 CA LYS A 14 12.060 23.165 -11.113 1.00 0.00 C ATOM 182 C LYS A 14 10.776 23.641 -11.796 1.00 0.00 C ATOM 183 O LYS A 14 10.529 24.842 -11.894 1.00 0.00 O ATOM 184 CB LYS A 14 13.334 23.539 -11.874 1.00 0.00 C ATOM 185 CG LYS A 14 13.919 24.852 -11.352 1.00 0.00 C ATOM 186 CD LYS A 14 14.329 25.767 -12.508 1.00 0.00 C ATOM 187 CE LYS A 14 13.192 26.718 -12.885 1.00 0.00 C ATOM 188 NZ LYS A 14 13.588 28.123 -12.640 1.00 0.00 N ATOM 0 H LYS A 14 12.565 21.179 -11.548 1.00 0.00 H new ATOM 0 HA LYS A 14 12.124 23.682 -10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.071 22.742 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.113 23.633 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.184 25.358 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.785 24.644 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.211 26.343 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.605 25.164 -13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.932 26.585 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.302 26.478 -12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.805 28.755 -12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.814 28.249 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.424 28.353 -13.214 1.00 0.00 H new ATOM 202 N HIS A 15 9.992 22.674 -12.250 1.00 0.00 N ATOM 203 CA HIS A 15 8.739 22.978 -12.920 1.00 0.00 C ATOM 204 C HIS A 15 7.567 22.500 -12.060 1.00 0.00 C ATOM 205 O HIS A 15 6.762 21.681 -12.502 1.00 0.00 O ATOM 206 CB HIS A 15 8.720 22.388 -14.331 1.00 0.00 C ATOM 207 CG HIS A 15 9.714 23.020 -15.275 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.370 23.458 -16.542 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.044 23.283 -15.123 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.453 23.960 -17.118 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.488 23.850 -16.238 1.00 0.00 N ATOM 0 H HIS A 15 10.200 21.679 -12.167 1.00 0.00 H new ATOM 0 HA HIS A 15 8.639 24.057 -13.040 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.923 21.319 -14.269 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.719 22.499 -14.747 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.635 23.067 -14.245 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.506 24.382 -18.111 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.447 24.154 -16.408 1.00 0.00 H new ATOM 219 N LYS A 16 7.510 23.029 -10.847 1.00 0.00 N ATOM 220 CA LYS A 16 6.450 22.666 -9.921 1.00 0.00 C ATOM 221 C LYS A 16 5.509 23.858 -9.737 1.00 0.00 C ATOM 222 O LYS A 16 5.371 24.378 -8.631 1.00 0.00 O ATOM 223 CB LYS A 16 7.040 22.140 -8.611 1.00 0.00 C ATOM 224 CG LYS A 16 5.942 21.896 -7.574 1.00 0.00 C ATOM 225 CD LYS A 16 6.317 22.512 -6.224 1.00 0.00 C ATOM 226 CE LYS A 16 5.280 22.163 -5.155 1.00 0.00 C ATOM 227 NZ LYS A 16 5.684 20.945 -4.418 1.00 0.00 N ATOM 0 H LYS A 16 8.181 23.706 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 16 5.854 21.848 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.581 21.212 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.762 22.857 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.003 22.324 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.779 20.825 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.298 22.151 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.392 23.595 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.171 22.996 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.307 22.007 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.969 20.723 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.765 20.149 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.602 21.107 -3.957 1.00 0.00 H new ATOM 241 N ASP A 17 4.886 24.255 -10.837 1.00 0.00 N ATOM 242 CA ASP A 17 3.962 25.376 -10.810 1.00 0.00 C ATOM 243 C ASP A 17 3.021 25.283 -12.012 1.00 0.00 C ATOM 244 O ASP A 17 3.310 24.580 -12.980 1.00 0.00 O ATOM 245 CB ASP A 17 4.709 26.708 -10.896 1.00 0.00 C ATOM 246 CG ASP A 17 4.046 27.869 -10.153 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.254 27.948 -8.923 1.00 0.00 O ATOM 248 OD2 ASP A 17 3.349 28.653 -10.832 1.00 0.00 O ATOM 0 H ASP A 17 5.003 23.820 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 17 3.408 25.334 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.715 26.570 -10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.815 26.981 -11.946 1.00 0.00 H new ATOM 253 N SER A 18 1.913 26.003 -11.914 1.00 0.00 N ATOM 254 CA SER A 18 0.927 26.011 -12.981 1.00 0.00 C ATOM 255 C SER A 18 1.604 26.336 -14.315 1.00 0.00 C ATOM 256 O SER A 18 1.371 25.657 -15.314 1.00 0.00 O ATOM 257 CB SER A 18 -0.189 27.018 -12.693 1.00 0.00 C ATOM 258 OG SER A 18 0.300 28.354 -12.631 1.00 0.00 O ATOM 0 H SER A 18 1.676 26.586 -11.111 1.00 0.00 H new ATOM 0 HA SER A 18 0.478 25.020 -13.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.951 26.947 -13.469 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.671 26.764 -11.749 1.00 0.00 H new ATOM 0 HG SER A 18 -0.443 28.966 -12.447 1.00 0.00 H new ATOM 264 N LYS A 19 2.426 27.374 -14.288 1.00 0.00 N ATOM 265 CA LYS A 19 3.137 27.798 -15.482 1.00 0.00 C ATOM 266 C LYS A 19 3.720 26.570 -16.185 1.00 0.00 C ATOM 267 O LYS A 19 3.342 26.258 -17.313 1.00 0.00 O ATOM 268 CB LYS A 19 4.181 28.861 -15.135 1.00 0.00 C ATOM 269 CG LYS A 19 4.364 29.848 -16.291 1.00 0.00 C ATOM 270 CD LYS A 19 5.151 29.209 -17.437 1.00 0.00 C ATOM 271 CE LYS A 19 6.634 29.083 -17.079 1.00 0.00 C ATOM 272 NZ LYS A 19 7.366 30.309 -17.466 1.00 0.00 N ATOM 0 H LYS A 19 2.616 27.935 -13.457 1.00 0.00 H new ATOM 0 HA LYS A 19 2.453 28.274 -16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.873 29.399 -14.238 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.133 28.381 -14.908 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.389 30.175 -16.652 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.887 30.736 -15.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.742 28.224 -17.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.041 29.811 -18.339 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.742 28.910 -16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.065 28.220 -17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.370 30.207 -17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.278 30.457 -18.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.965 31.126 -16.963 1.00 0.00 H new ATOM 286 N SER A 20 4.632 25.907 -15.489 1.00 0.00 N ATOM 287 CA SER A 20 5.271 24.720 -16.033 1.00 0.00 C ATOM 288 C SER A 20 5.218 23.583 -15.010 1.00 0.00 C ATOM 289 O SER A 20 5.969 23.583 -14.037 1.00 0.00 O ATOM 290 CB SER A 20 6.719 25.009 -16.432 1.00 0.00 C ATOM 291 OG SER A 20 7.003 24.575 -17.759 1.00 0.00 O ATOM 0 H SER A 20 4.944 26.169 -14.554 1.00 0.00 H new ATOM 0 HA SER A 20 4.729 24.419 -16.930 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.911 26.079 -16.352 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.393 24.511 -15.735 1.00 0.00 H new ATOM 0 HG SER A 20 7.852 24.085 -17.768 1.00 0.00 H new ATOM 297 N THR A 21 4.323 22.641 -15.268 1.00 0.00 N ATOM 298 CA THR A 21 4.163 21.500 -14.382 1.00 0.00 C ATOM 299 C THR A 21 4.028 20.210 -15.194 1.00 0.00 C ATOM 300 O THR A 21 3.158 20.104 -16.057 1.00 0.00 O ATOM 301 CB THR A 21 2.965 21.773 -13.471 1.00 0.00 C ATOM 302 OG1 THR A 21 3.543 21.961 -12.182 1.00 0.00 O ATOM 303 CG2 THR A 21 2.067 20.546 -13.300 1.00 0.00 C ATOM 0 H THR A 21 3.702 22.644 -16.077 1.00 0.00 H new ATOM 0 HA THR A 21 5.042 21.361 -13.753 1.00 0.00 H new ATOM 0 HB THR A 21 2.380 22.597 -13.880 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.913 22.446 -11.609 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.232 20.794 -12.644 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.685 20.236 -14.273 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.643 19.732 -12.861 1.00 0.00 H new ATOM 311 N TRP A 22 4.901 19.262 -14.888 1.00 0.00 N ATOM 312 CA TRP A 22 4.890 17.983 -15.578 1.00 0.00 C ATOM 313 C TRP A 22 4.765 16.879 -14.526 1.00 0.00 C ATOM 314 O TRP A 22 4.719 17.159 -13.328 1.00 0.00 O ATOM 315 CB TRP A 22 6.128 17.827 -16.463 1.00 0.00 C ATOM 316 CG TRP A 22 6.632 19.140 -17.065 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.907 20.184 -17.492 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.009 19.510 -17.290 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.714 21.195 -17.974 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.031 20.772 -17.848 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.195 18.801 -17.033 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.215 21.436 -18.194 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.369 19.478 -17.385 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.409 20.748 -17.946 1.00 0.00 C ATOM 0 H TRP A 22 5.621 19.354 -14.171 1.00 0.00 H new ATOM 0 HA TRP A 22 4.038 17.917 -16.255 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.928 17.378 -15.875 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.899 17.133 -17.272 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.828 20.228 -17.463 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.401 22.089 -18.353 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.200 17.812 -16.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.207 22.425 -18.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.310 18.978 -17.208 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.358 21.203 -18.190 1.00 0.00 H new ATOM 335 N VAL A 23 4.711 15.647 -15.010 1.00 0.00 N ATOM 336 CA VAL A 23 4.593 14.500 -14.127 1.00 0.00 C ATOM 337 C VAL A 23 5.172 13.265 -14.821 1.00 0.00 C ATOM 338 O VAL A 23 4.598 12.765 -15.787 1.00 0.00 O ATOM 339 CB VAL A 23 3.134 14.317 -13.700 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.681 15.463 -12.794 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.219 14.187 -14.919 1.00 0.00 C ATOM 0 H VAL A 23 4.747 15.418 -16.003 1.00 0.00 H new ATOM 0 HA VAL A 23 5.168 14.659 -13.215 1.00 0.00 H new ATOM 0 HB VAL A 23 3.065 13.391 -13.129 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.641 15.309 -12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.306 15.490 -11.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.773 16.408 -13.329 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.188 14.058 -14.588 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.295 15.088 -15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.521 13.323 -15.510 1.00 0.00 H new ATOM 351 N ILE A 24 6.303 12.809 -14.300 1.00 0.00 N ATOM 352 CA ILE A 24 6.965 11.642 -14.857 1.00 0.00 C ATOM 353 C ILE A 24 6.032 10.435 -14.759 1.00 0.00 C ATOM 354 O ILE A 24 5.472 10.164 -13.697 1.00 0.00 O ATOM 355 CB ILE A 24 8.323 11.427 -14.186 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.157 10.793 -12.804 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.119 12.732 -14.126 1.00 0.00 C ATOM 358 CD1 ILE A 24 8.551 9.315 -12.828 1.00 0.00 C ATOM 0 H ILE A 24 6.777 13.227 -13.499 1.00 0.00 H new ATOM 0 HA ILE A 24 7.178 11.793 -15.915 1.00 0.00 H new ATOM 0 HB ILE A 24 8.897 10.728 -14.794 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.773 11.326 -12.079 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.122 10.892 -12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.080 12.550 -13.644 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.285 13.104 -15.137 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.561 13.473 -13.554 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.424 8.888 -11.833 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.917 8.781 -13.536 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.593 9.221 -13.132 1.00 0.00 H new ATOM 370 N LEU A 25 5.893 9.740 -15.879 1.00 0.00 N ATOM 371 CA LEU A 25 5.037 8.568 -15.932 1.00 0.00 C ATOM 372 C LEU A 25 5.340 7.778 -17.206 1.00 0.00 C ATOM 373 O LEU A 25 5.376 8.343 -18.298 1.00 0.00 O ATOM 374 CB LEU A 25 3.567 8.971 -15.792 1.00 0.00 C ATOM 375 CG LEU A 25 2.921 9.589 -17.034 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.252 8.517 -17.896 1.00 0.00 C ATOM 377 CD2 LEU A 25 1.947 10.704 -16.647 1.00 0.00 C ATOM 0 H LEU A 25 6.360 9.967 -16.757 1.00 0.00 H new ATOM 0 HA LEU A 25 5.243 7.907 -15.090 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.994 8.088 -15.510 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.482 9.682 -14.970 1.00 0.00 H new ATOM 0 HG LEU A 25 3.707 10.042 -17.638 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.801 8.984 -18.772 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.998 7.790 -18.216 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.480 8.013 -17.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.501 11.127 -17.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.162 10.296 -16.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.483 11.484 -16.107 1.00 0.00 H new ATOM 389 N HIS A 26 5.549 6.482 -17.024 1.00 0.00 N ATOM 390 CA HIS A 26 5.848 5.608 -18.146 1.00 0.00 C ATOM 391 C HIS A 26 7.248 5.917 -18.679 1.00 0.00 C ATOM 392 O HIS A 26 7.578 5.565 -19.810 1.00 0.00 O ATOM 393 CB HIS A 26 4.766 5.717 -19.223 1.00 0.00 C ATOM 394 CG HIS A 26 3.776 4.578 -19.218 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.068 4.205 -18.088 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.384 3.733 -20.214 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.288 3.181 -18.402 1.00 0.00 C ATOM 398 NE2 HIS A 26 2.486 2.889 -19.720 1.00 0.00 N ATOM 0 H HIS A 26 5.517 6.016 -16.117 1.00 0.00 H new ATOM 0 HA HIS A 26 5.845 4.570 -17.814 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.226 6.654 -19.087 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.245 5.764 -20.201 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.743 3.748 -21.232 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.614 2.668 -17.732 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.021 2.145 -20.240 1.00 0.00 H new ATOM 406 N HIS A 27 8.034 6.573 -17.838 1.00 0.00 N ATOM 407 CA HIS A 27 9.393 6.934 -18.210 1.00 0.00 C ATOM 408 C HIS A 27 9.358 8.024 -19.283 1.00 0.00 C ATOM 409 O HIS A 27 10.184 8.031 -20.193 1.00 0.00 O ATOM 410 CB HIS A 27 10.183 5.699 -18.646 1.00 0.00 C ATOM 411 CG HIS A 27 11.652 5.959 -18.876 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.412 6.760 -18.040 1.00 0.00 N ATOM 413 CD2 HIS A 27 12.493 5.517 -19.854 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.652 6.791 -18.504 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.700 6.021 -19.628 1.00 0.00 N ATOM 0 H HIS A 27 7.757 6.864 -16.901 1.00 0.00 H new ATOM 0 HA HIS A 27 9.915 7.341 -17.344 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.076 4.925 -17.886 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.746 5.306 -19.564 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.223 4.867 -20.673 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.480 7.331 -18.069 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.528 5.859 -20.201 1.00 0.00 H new ATOM 423 N LYS A 28 8.392 8.921 -19.140 1.00 0.00 N ATOM 424 CA LYS A 28 8.238 10.013 -20.085 1.00 0.00 C ATOM 425 C LYS A 28 7.334 11.086 -19.476 1.00 0.00 C ATOM 426 O LYS A 28 6.111 10.998 -19.572 1.00 0.00 O ATOM 427 CB LYS A 28 7.747 9.488 -21.436 1.00 0.00 C ATOM 428 CG LYS A 28 6.345 8.888 -21.313 1.00 0.00 C ATOM 429 CD LYS A 28 6.276 7.515 -21.986 1.00 0.00 C ATOM 430 CE LYS A 28 6.621 7.614 -23.472 1.00 0.00 C ATOM 431 NZ LYS A 28 5.525 8.274 -24.216 1.00 0.00 N ATOM 0 H LYS A 28 7.708 8.913 -18.383 1.00 0.00 H new ATOM 0 HA LYS A 28 9.201 10.483 -20.283 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.737 10.299 -22.164 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.438 8.733 -21.810 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.076 8.795 -20.261 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.617 9.558 -21.770 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.966 6.830 -21.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.276 7.099 -21.868 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.546 8.177 -23.600 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.796 6.618 -23.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.136 7.614 -24.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.775 8.555 -23.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.893 9.118 -24.700 1.00 0.00 H new ATOM 445 N VAL A 29 7.970 12.073 -18.863 1.00 0.00 N ATOM 446 CA VAL A 29 7.238 13.162 -18.238 1.00 0.00 C ATOM 447 C VAL A 29 6.373 13.859 -19.291 1.00 0.00 C ATOM 448 O VAL A 29 6.756 13.942 -20.457 1.00 0.00 O ATOM 449 CB VAL A 29 8.211 14.112 -17.537 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.354 14.513 -18.471 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.481 15.346 -17.002 1.00 0.00 C ATOM 0 H VAL A 29 8.985 12.142 -18.786 1.00 0.00 H new ATOM 0 HA VAL A 29 6.568 12.780 -17.468 1.00 0.00 H new ATOM 0 HB VAL A 29 8.643 13.583 -16.687 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.031 15.188 -17.948 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.899 13.622 -18.782 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.947 15.015 -19.349 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.195 16.005 -16.508 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.009 15.876 -17.829 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.719 15.036 -16.287 1.00 0.00 H new ATOM 461 N TYR A 30 5.226 14.343 -18.842 1.00 0.00 N ATOM 462 CA TYR A 30 4.305 15.031 -19.729 1.00 0.00 C ATOM 463 C TYR A 30 4.082 16.476 -19.277 1.00 0.00 C ATOM 464 O TYR A 30 3.904 16.737 -18.088 1.00 0.00 O ATOM 465 CB TYR A 30 2.981 14.270 -19.636 1.00 0.00 C ATOM 466 CG TYR A 30 2.984 12.924 -20.363 1.00 0.00 C ATOM 467 CD1 TYR A 30 3.777 11.893 -19.903 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.193 12.741 -21.479 1.00 0.00 C ATOM 469 CE1 TYR A 30 3.780 10.626 -20.587 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.195 11.473 -22.163 1.00 0.00 C ATOM 471 CZ TYR A 30 2.989 10.479 -21.683 1.00 0.00 C ATOM 472 OH TYR A 30 2.992 9.283 -22.329 1.00 0.00 O ATOM 0 H TYR A 30 4.913 14.272 -17.874 1.00 0.00 H new ATOM 0 HA TYR A 30 4.701 15.059 -20.744 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.743 14.103 -18.586 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.187 14.892 -20.048 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.396 12.036 -19.030 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.573 13.548 -21.840 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.396 9.811 -20.237 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.580 11.316 -23.037 1.00 0.00 H new ATOM 0 HH TYR A 30 2.379 9.322 -23.093 1.00 0.00 H new ATOM 482 N ASP A 31 4.099 17.376 -20.249 1.00 0.00 N ATOM 483 CA ASP A 31 3.901 18.787 -19.965 1.00 0.00 C ATOM 484 C ASP A 31 2.414 19.123 -20.082 1.00 0.00 C ATOM 485 O ASP A 31 1.977 19.681 -21.088 1.00 0.00 O ATOM 486 CB ASP A 31 4.664 19.661 -20.962 1.00 0.00 C ATOM 487 CG ASP A 31 4.290 21.145 -20.940 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.138 21.675 -19.818 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.164 21.715 -22.046 1.00 0.00 O ATOM 0 H ASP A 31 4.247 17.156 -21.234 1.00 0.00 H new ATOM 0 HA ASP A 31 4.269 18.983 -18.958 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.731 19.568 -20.761 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.493 19.274 -21.966 1.00 0.00 H new ATOM 494 N LEU A 32 1.676 18.769 -19.040 1.00 0.00 N ATOM 495 CA LEU A 32 0.246 19.027 -19.014 1.00 0.00 C ATOM 496 C LEU A 32 -0.004 20.440 -18.485 1.00 0.00 C ATOM 497 O LEU A 32 -1.127 20.778 -18.111 1.00 0.00 O ATOM 498 CB LEU A 32 -0.480 17.936 -18.223 1.00 0.00 C ATOM 499 CG LEU A 32 0.349 17.216 -17.158 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.549 16.637 -16.063 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.245 16.148 -17.790 1.00 0.00 C ATOM 0 H LEU A 32 2.041 18.306 -18.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.167 18.987 -20.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.348 18.383 -17.739 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.855 17.193 -18.927 1.00 0.00 H new ATOM 0 HG LEU A 32 1.005 17.946 -16.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.065 16.131 -15.319 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.107 17.443 -15.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.246 15.924 -16.503 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.824 15.651 -17.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.627 15.414 -18.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.923 16.617 -18.503 1.00 0.00 H new ATOM 513 N THR A 33 1.060 21.229 -18.470 1.00 0.00 N ATOM 514 CA THR A 33 0.971 22.599 -17.992 1.00 0.00 C ATOM 515 C THR A 33 0.047 23.418 -18.896 1.00 0.00 C ATOM 516 O THR A 33 -0.454 24.465 -18.490 1.00 0.00 O ATOM 517 CB THR A 33 2.390 23.161 -17.902 1.00 0.00 C ATOM 518 OG1 THR A 33 2.373 23.958 -16.720 1.00 0.00 O ATOM 519 CG2 THR A 33 2.696 24.160 -19.020 1.00 0.00 C ATOM 0 H THR A 33 1.989 20.946 -18.781 1.00 0.00 H new ATOM 0 HA THR A 33 0.526 22.645 -16.998 1.00 0.00 H new ATOM 0 HB THR A 33 3.108 22.342 -17.940 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.016 24.846 -16.930 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.716 24.529 -18.910 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.591 23.668 -19.987 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.000 24.996 -18.961 1.00 0.00 H new ATOM 527 N LYS A 34 -0.151 22.910 -20.103 1.00 0.00 N ATOM 528 CA LYS A 34 -1.004 23.582 -21.067 1.00 0.00 C ATOM 529 C LYS A 34 -2.439 23.074 -20.913 1.00 0.00 C ATOM 530 O LYS A 34 -3.364 23.863 -20.721 1.00 0.00 O ATOM 531 CB LYS A 34 -0.445 23.423 -22.482 1.00 0.00 C ATOM 532 CG LYS A 34 -1.060 24.450 -23.434 1.00 0.00 C ATOM 533 CD LYS A 34 -0.536 25.857 -23.135 1.00 0.00 C ATOM 534 CE LYS A 34 -0.365 26.664 -24.424 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.548 27.520 -24.662 1.00 0.00 N ATOM 0 H LYS A 34 0.265 22.040 -20.435 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.022 24.655 -20.875 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.638 23.542 -22.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.649 22.416 -22.846 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.826 24.182 -24.464 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.146 24.435 -23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.227 26.372 -22.468 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.419 25.790 -22.614 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.530 27.282 -24.357 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.223 25.988 -25.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.415 28.060 -25.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.396 26.924 -24.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.666 28.178 -23.866 1.00 0.00 H new ATOM 549 N PHE A 35 -2.580 21.760 -21.002 1.00 0.00 N ATOM 550 CA PHE A 35 -3.887 21.137 -20.873 1.00 0.00 C ATOM 551 C PHE A 35 -4.273 20.970 -19.403 1.00 0.00 C ATOM 552 O PHE A 35 -5.268 20.318 -19.089 1.00 0.00 O ATOM 553 CB PHE A 35 -3.789 19.755 -21.523 1.00 0.00 C ATOM 554 CG PHE A 35 -4.058 18.595 -20.561 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.161 18.301 -19.583 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.195 17.860 -20.685 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.411 17.225 -18.690 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.444 16.783 -19.793 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.548 16.490 -18.814 1.00 0.00 C ATOM 0 H PHE A 35 -1.811 21.109 -21.162 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.644 21.759 -21.350 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.499 19.702 -22.348 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.794 19.636 -21.951 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.258 18.886 -19.485 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.908 18.095 -21.461 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.698 16.991 -17.913 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.346 16.197 -19.893 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.739 15.673 -18.134 1.00 0.00 H new ATOM 569 N LEU A 36 -3.467 21.572 -18.540 1.00 0.00 N ATOM 570 CA LEU A 36 -3.712 21.498 -17.110 1.00 0.00 C ATOM 571 C LEU A 36 -5.160 21.900 -16.824 1.00 0.00 C ATOM 572 O LEU A 36 -5.794 21.352 -15.924 1.00 0.00 O ATOM 573 CB LEU A 36 -2.680 22.331 -16.346 1.00 0.00 C ATOM 574 CG LEU A 36 -2.159 21.722 -15.043 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.637 21.845 -14.951 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.858 22.340 -13.831 1.00 0.00 C ATOM 0 H LEU A 36 -2.644 22.113 -18.804 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.588 20.475 -16.754 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.830 22.513 -17.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.121 23.301 -16.119 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.397 20.658 -15.044 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.292 21.405 -14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.178 21.321 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.354 22.897 -14.982 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.469 21.889 -12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.673 23.414 -13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.931 22.158 -13.897 1.00 0.00 H new ATOM 588 N GLU A 37 -5.641 22.855 -17.607 1.00 0.00 N ATOM 589 CA GLU A 37 -7.003 23.338 -17.448 1.00 0.00 C ATOM 590 C GLU A 37 -7.975 22.446 -18.224 1.00 0.00 C ATOM 591 O GLU A 37 -9.164 22.400 -17.914 1.00 0.00 O ATOM 592 CB GLU A 37 -7.124 24.797 -17.893 1.00 0.00 C ATOM 593 CG GLU A 37 -8.203 25.526 -17.092 1.00 0.00 C ATOM 594 CD GLU A 37 -8.999 26.480 -17.985 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.349 27.162 -18.808 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.238 26.506 -17.826 1.00 0.00 O ATOM 0 H GLU A 37 -5.112 23.307 -18.353 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.263 23.293 -16.390 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.166 25.301 -17.763 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.364 24.838 -18.955 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.877 24.800 -16.638 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.741 26.085 -16.278 1.00 0.00 H new ATOM 603 N GLU A 38 -7.433 21.759 -19.218 1.00 0.00 N ATOM 604 CA GLU A 38 -8.237 20.872 -20.042 1.00 0.00 C ATOM 605 C GLU A 38 -8.393 19.511 -19.359 1.00 0.00 C ATOM 606 O GLU A 38 -9.082 18.631 -19.872 1.00 0.00 O ATOM 607 CB GLU A 38 -7.631 20.718 -21.438 1.00 0.00 C ATOM 608 CG GLU A 38 -8.090 21.847 -22.362 1.00 0.00 C ATOM 609 CD GLU A 38 -7.947 21.445 -23.831 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.903 20.838 -24.154 1.00 0.00 O ATOM 611 OE2 GLU A 38 -8.885 21.754 -24.599 1.00 0.00 O ATOM 0 H GLU A 38 -6.446 21.798 -19.472 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.226 21.315 -20.159 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.543 20.720 -21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.922 19.756 -21.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.130 22.096 -22.149 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.501 22.743 -22.167 1.00 0.00 H new ATOM 618 N HIS A 39 -7.740 19.381 -18.213 1.00 0.00 N ATOM 619 CA HIS A 39 -7.798 18.143 -17.455 1.00 0.00 C ATOM 620 C HIS A 39 -9.000 18.177 -16.509 1.00 0.00 C ATOM 621 O HIS A 39 -9.211 19.161 -15.801 1.00 0.00 O ATOM 622 CB HIS A 39 -6.477 17.890 -16.727 1.00 0.00 C ATOM 623 CG HIS A 39 -6.399 16.544 -16.046 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.282 16.404 -14.674 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.423 15.282 -16.562 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.237 15.112 -14.389 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.325 14.418 -15.560 1.00 0.00 N ATOM 0 H HIS A 39 -7.168 20.113 -17.791 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.938 17.302 -18.134 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.658 17.972 -17.442 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.329 18.672 -15.982 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.507 15.029 -17.609 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.146 14.683 -13.402 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.317 13.402 -15.650 1.00 0.00 H new ATOM 635 N PRO A 40 -9.776 17.059 -16.526 1.00 0.00 N ATOM 636 CA PRO A 40 -10.950 16.951 -15.678 1.00 0.00 C ATOM 637 C PRO A 40 -10.554 16.696 -14.223 1.00 0.00 C ATOM 638 O PRO A 40 -11.396 16.760 -13.326 1.00 0.00 O ATOM 639 CB PRO A 40 -11.766 15.819 -16.280 1.00 0.00 C ATOM 640 CG PRO A 40 -10.806 15.032 -17.155 1.00 0.00 C ATOM 641 CD PRO A 40 -9.556 15.875 -17.351 1.00 0.00 C ATOM 0 HA PRO A 40 -11.533 17.871 -15.647 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.191 15.187 -15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.599 16.207 -16.866 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.555 14.080 -16.686 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.266 14.802 -18.116 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.661 15.336 -17.039 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.418 16.142 -18.399 1.00 0.00 H new ATOM 649 N GLY A 41 -9.275 16.411 -14.032 1.00 0.00 N ATOM 650 CA GLY A 41 -8.757 16.145 -12.701 1.00 0.00 C ATOM 651 C GLY A 41 -8.847 17.392 -11.818 1.00 0.00 C ATOM 652 O GLY A 41 -9.774 17.527 -11.021 1.00 0.00 O ATOM 0 H GLY A 41 -8.581 16.358 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.319 15.330 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.720 15.818 -12.769 1.00 0.00 H new ATOM 656 N GLY A 42 -7.872 18.272 -11.991 1.00 0.00 N ATOM 657 CA GLY A 42 -7.830 19.503 -11.220 1.00 0.00 C ATOM 658 C GLY A 42 -6.697 20.413 -11.702 1.00 0.00 C ATOM 659 O GLY A 42 -6.161 20.218 -12.792 1.00 0.00 O ATOM 0 H GLY A 42 -7.105 18.157 -12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.783 20.025 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.691 19.271 -10.164 1.00 0.00 H new ATOM 663 N GLU A 43 -6.368 21.387 -10.866 1.00 0.00 N ATOM 664 CA GLU A 43 -5.310 22.327 -11.193 1.00 0.00 C ATOM 665 C GLU A 43 -4.149 22.183 -10.208 1.00 0.00 C ATOM 666 O GLU A 43 -3.040 22.641 -10.479 1.00 0.00 O ATOM 667 CB GLU A 43 -5.838 23.763 -11.210 1.00 0.00 C ATOM 668 CG GLU A 43 -4.699 24.769 -11.037 1.00 0.00 C ATOM 669 CD GLU A 43 -5.237 26.200 -10.965 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.101 26.524 -11.808 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.772 26.937 -10.068 1.00 0.00 O ATOM 0 H GLU A 43 -6.815 21.545 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.944 22.097 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.355 23.953 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.569 23.895 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.142 24.540 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.001 24.681 -11.870 1.00 0.00 H new ATOM 678 N GLU A 44 -4.443 21.544 -9.085 1.00 0.00 N ATOM 679 CA GLU A 44 -3.436 21.333 -8.059 1.00 0.00 C ATOM 680 C GLU A 44 -3.050 19.855 -7.990 1.00 0.00 C ATOM 681 O GLU A 44 -1.905 19.523 -7.686 1.00 0.00 O ATOM 682 CB GLU A 44 -3.927 21.836 -6.699 1.00 0.00 C ATOM 683 CG GLU A 44 -5.242 21.161 -6.307 1.00 0.00 C ATOM 684 CD GLU A 44 -6.417 22.134 -6.436 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.898 22.295 -7.578 1.00 0.00 O ATOM 686 OE2 GLU A 44 -6.806 22.695 -5.388 1.00 0.00 O ATOM 0 H GLU A 44 -5.364 21.166 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.548 21.907 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.171 21.637 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.065 22.917 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.413 20.292 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.177 20.797 -5.281 1.00 0.00 H new ATOM 693 N VAL A 45 -4.026 19.007 -8.277 1.00 0.00 N ATOM 694 CA VAL A 45 -3.802 17.571 -8.252 1.00 0.00 C ATOM 695 C VAL A 45 -2.654 17.222 -9.202 1.00 0.00 C ATOM 696 O VAL A 45 -1.816 16.379 -8.884 1.00 0.00 O ATOM 697 CB VAL A 45 -5.100 16.834 -8.585 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.029 17.711 -9.426 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.811 15.507 -9.291 1.00 0.00 C ATOM 0 H VAL A 45 -4.974 19.286 -8.528 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.507 17.247 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.609 16.611 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.944 17.163 -9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.274 18.617 -8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.531 17.979 -10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.751 15.003 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.270 15.698 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.206 14.874 -8.642 1.00 0.00 H new ATOM 709 N LEU A 46 -2.654 17.886 -10.347 1.00 0.00 N ATOM 710 CA LEU A 46 -1.624 17.656 -11.346 1.00 0.00 C ATOM 711 C LEU A 46 -0.270 18.095 -10.784 1.00 0.00 C ATOM 712 O LEU A 46 0.634 17.276 -10.623 1.00 0.00 O ATOM 713 CB LEU A 46 -1.993 18.338 -12.665 1.00 0.00 C ATOM 714 CG LEU A 46 -3.468 18.272 -13.064 1.00 0.00 C ATOM 715 CD1 LEU A 46 -3.668 18.741 -14.506 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.037 16.870 -12.833 1.00 0.00 C ATOM 0 H LEU A 46 -3.351 18.584 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.546 16.593 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.700 19.386 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.401 17.888 -13.462 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.025 18.955 -12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.726 18.684 -14.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.326 19.771 -14.604 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.096 18.103 -15.179 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.087 16.851 -13.125 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.481 16.148 -13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.949 16.611 -11.778 1.00 0.00 H new ATOM 728 N ARG A 47 -0.172 19.386 -10.503 1.00 0.00 N ATOM 729 CA ARG A 47 1.057 19.944 -9.964 1.00 0.00 C ATOM 730 C ARG A 47 1.377 19.309 -8.609 1.00 0.00 C ATOM 731 O ARG A 47 2.528 19.310 -8.175 1.00 0.00 O ATOM 732 CB ARG A 47 0.946 21.460 -9.796 1.00 0.00 C ATOM 733 CG ARG A 47 -0.349 21.840 -9.078 1.00 0.00 C ATOM 734 CD ARG A 47 -0.280 23.270 -8.540 1.00 0.00 C ATOM 735 NE ARG A 47 -0.421 23.264 -7.066 1.00 0.00 N ATOM 736 CZ ARG A 47 0.604 23.124 -6.214 1.00 0.00 C ATOM 737 NH1 ARG A 47 1.851 22.976 -6.683 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.382 23.130 -4.892 1.00 0.00 N ATOM 0 H ARG A 47 -0.924 20.062 -10.638 1.00 0.00 H new ATOM 0 HA ARG A 47 1.859 19.727 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.801 21.830 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.978 21.941 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.190 21.747 -9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.530 21.147 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.669 23.728 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.070 23.874 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.357 23.373 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.020 22.970 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.631 22.870 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.567 23.241 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.162 23.023 -4.243 1.00 0.00 H new ATOM 752 N GLU A 48 0.337 18.786 -7.976 1.00 0.00 N ATOM 753 CA GLU A 48 0.493 18.150 -6.678 1.00 0.00 C ATOM 754 C GLU A 48 1.564 17.059 -6.747 1.00 0.00 C ATOM 755 O GLU A 48 2.275 16.820 -5.773 1.00 0.00 O ATOM 756 CB GLU A 48 -0.838 17.581 -6.182 1.00 0.00 C ATOM 757 CG GLU A 48 -0.627 16.662 -4.978 1.00 0.00 C ATOM 758 CD GLU A 48 -1.508 17.089 -3.802 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.736 16.880 -3.909 1.00 0.00 O ATOM 760 OE2 GLU A 48 -0.935 17.613 -2.824 1.00 0.00 O ATOM 0 H GLU A 48 -0.617 18.789 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 48 0.817 18.905 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.507 18.397 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.323 17.027 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.858 15.634 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.421 16.683 -4.679 1.00 0.00 H new ATOM 767 N GLN A 49 1.645 16.426 -7.908 1.00 0.00 N ATOM 768 CA GLN A 49 2.616 15.367 -8.117 1.00 0.00 C ATOM 769 C GLN A 49 3.645 15.788 -9.169 1.00 0.00 C ATOM 770 O GLN A 49 4.334 14.945 -9.741 1.00 0.00 O ATOM 771 CB GLN A 49 1.927 14.061 -8.517 1.00 0.00 C ATOM 772 CG GLN A 49 0.897 13.640 -7.467 1.00 0.00 C ATOM 773 CD GLN A 49 1.551 13.481 -6.092 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.744 13.266 -5.964 1.00 0.00 O ATOM 775 NE2 GLN A 49 0.703 13.600 -5.074 1.00 0.00 N ATOM 0 H GLN A 49 1.053 16.627 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 49 3.138 15.191 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.437 14.185 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.672 13.274 -8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.103 14.384 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.433 12.700 -7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.285 13.780 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.041 13.511 -4.116 1.00 0.00 H new ATOM 784 N ALA A 50 3.715 17.093 -9.392 1.00 0.00 N ATOM 785 CA ALA A 50 4.647 17.636 -10.365 1.00 0.00 C ATOM 786 C ALA A 50 5.999 17.874 -9.691 1.00 0.00 C ATOM 787 O ALA A 50 6.411 19.018 -9.504 1.00 0.00 O ATOM 788 CB ALA A 50 4.064 18.915 -10.971 1.00 0.00 C ATOM 0 H ALA A 50 3.142 17.789 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 50 4.805 16.931 -11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.763 19.323 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.118 18.687 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.895 19.648 -10.182 1.00 0.00 H new ATOM 794 N GLY A 51 6.654 16.776 -9.346 1.00 0.00 N ATOM 795 CA GLY A 51 7.951 16.850 -8.696 1.00 0.00 C ATOM 796 C GLY A 51 8.606 15.470 -8.620 1.00 0.00 C ATOM 797 O GLY A 51 9.821 15.345 -8.773 1.00 0.00 O ATOM 0 H GLY A 51 6.310 15.829 -9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.598 17.534 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.836 17.257 -7.692 1.00 0.00 H new ATOM 801 N GLY A 52 7.773 14.468 -8.380 1.00 0.00 N ATOM 802 CA GLY A 52 8.257 13.101 -8.281 1.00 0.00 C ATOM 803 C GLY A 52 7.574 12.201 -9.313 1.00 0.00 C ATOM 804 O GLY A 52 7.592 12.496 -10.507 1.00 0.00 O ATOM 0 H GLY A 52 6.767 14.575 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.336 13.082 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.070 12.717 -7.278 1.00 0.00 H new ATOM 808 N ASP A 53 6.989 11.123 -8.816 1.00 0.00 N ATOM 809 CA ASP A 53 6.301 10.178 -9.681 1.00 0.00 C ATOM 810 C ASP A 53 4.794 10.273 -9.436 1.00 0.00 C ATOM 811 O ASP A 53 4.322 10.013 -8.329 1.00 0.00 O ATOM 812 CB ASP A 53 6.738 8.742 -9.385 1.00 0.00 C ATOM 813 CG ASP A 53 6.717 8.351 -7.906 1.00 0.00 C ATOM 814 OD1 ASP A 53 7.251 9.144 -7.101 1.00 0.00 O ATOM 815 OD2 ASP A 53 6.165 7.268 -7.614 1.00 0.00 O ATOM 0 H ASP A 53 6.976 10.881 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 53 6.547 10.425 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.089 8.060 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.748 8.599 -9.769 1.00 0.00 H new ATOM 820 N ALA A 54 4.078 10.647 -10.487 1.00 0.00 N ATOM 821 CA ALA A 54 2.634 10.779 -10.401 1.00 0.00 C ATOM 822 C ALA A 54 1.975 9.535 -10.999 1.00 0.00 C ATOM 823 O ALA A 54 0.781 9.307 -10.807 1.00 0.00 O ATOM 824 CB ALA A 54 2.196 12.066 -11.102 1.00 0.00 C ATOM 0 H ALA A 54 4.472 10.863 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 54 2.317 10.851 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.112 12.165 -11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.668 12.922 -10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.495 12.030 -12.150 1.00 0.00 H new ATOM 830 N THR A 55 2.781 8.762 -11.713 1.00 0.00 N ATOM 831 CA THR A 55 2.291 7.548 -12.341 1.00 0.00 C ATOM 832 C THR A 55 1.521 6.698 -11.328 1.00 0.00 C ATOM 833 O THR A 55 0.535 6.051 -11.680 1.00 0.00 O ATOM 834 CB THR A 55 3.488 6.820 -12.959 1.00 0.00 C ATOM 835 OG1 THR A 55 3.004 5.501 -13.200 1.00 0.00 O ATOM 836 CG2 THR A 55 4.632 6.622 -11.962 1.00 0.00 C ATOM 0 H THR A 55 3.770 8.954 -11.870 1.00 0.00 H new ATOM 0 HA THR A 55 1.581 7.772 -13.137 1.00 0.00 H new ATOM 0 HB THR A 55 3.851 7.382 -13.819 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.715 4.960 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.455 6.101 -12.451 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.977 7.593 -11.607 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.280 6.031 -11.117 1.00 0.00 H new ATOM 844 N GLU A 56 1.998 6.727 -10.093 1.00 0.00 N ATOM 845 CA GLU A 56 1.366 5.968 -9.027 1.00 0.00 C ATOM 846 C GLU A 56 -0.050 6.487 -8.774 1.00 0.00 C ATOM 847 O GLU A 56 -0.994 5.705 -8.676 1.00 0.00 O ATOM 848 CB GLU A 56 2.204 6.015 -7.749 1.00 0.00 C ATOM 849 CG GLU A 56 2.857 7.386 -7.571 1.00 0.00 C ATOM 850 CD GLU A 56 2.852 7.809 -6.100 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.943 7.345 -5.379 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.757 8.589 -5.731 1.00 0.00 O ATOM 0 H GLU A 56 2.816 7.265 -9.806 1.00 0.00 H new ATOM 0 HA GLU A 56 1.299 4.926 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.573 5.794 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.974 5.244 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.882 7.355 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.325 8.127 -8.168 1.00 0.00 H new ATOM 859 N ASN A 57 -0.155 7.805 -8.675 1.00 0.00 N ATOM 860 CA ASN A 57 -1.440 8.438 -8.434 1.00 0.00 C ATOM 861 C ASN A 57 -2.218 8.516 -9.749 1.00 0.00 C ATOM 862 O ASN A 57 -3.447 8.466 -9.750 1.00 0.00 O ATOM 863 CB ASN A 57 -1.262 9.863 -7.905 1.00 0.00 C ATOM 864 CG ASN A 57 -0.685 9.852 -6.488 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.390 9.984 -5.501 1.00 0.00 O ATOM 866 ND2 ASN A 57 0.634 9.690 -6.442 1.00 0.00 N ATOM 0 H ASN A 57 0.630 8.451 -8.757 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.976 7.843 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.600 10.421 -8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.222 10.378 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.114 9.671 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.165 9.585 -7.306 1.00 0.00 H new ATOM 873 N PHE A 58 -1.472 8.639 -10.836 1.00 0.00 N ATOM 874 CA PHE A 58 -2.076 8.724 -12.155 1.00 0.00 C ATOM 875 C PHE A 58 -2.681 7.381 -12.568 1.00 0.00 C ATOM 876 O PHE A 58 -3.758 7.338 -13.163 1.00 0.00 O ATOM 877 CB PHE A 58 -0.961 9.092 -13.136 1.00 0.00 C ATOM 878 CG PHE A 58 -1.287 8.771 -14.596 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.345 7.477 -15.011 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.517 9.780 -15.478 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.648 7.180 -16.366 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.819 9.482 -16.833 1.00 0.00 C ATOM 883 CZ PHE A 58 -1.878 8.189 -17.249 1.00 0.00 C ATOM 0 H PHE A 58 -0.453 8.682 -10.831 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.874 9.466 -12.151 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.750 10.158 -13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.052 8.562 -12.852 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.161 6.676 -14.310 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.470 10.807 -15.148 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.696 6.153 -16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.002 10.283 -17.534 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.107 7.963 -18.280 1.00 0.00 H new ATOM 893 N GLU A 59 -1.964 6.317 -12.238 1.00 0.00 N ATOM 894 CA GLU A 59 -2.417 4.977 -12.567 1.00 0.00 C ATOM 895 C GLU A 59 -3.501 4.527 -11.586 1.00 0.00 C ATOM 896 O GLU A 59 -4.276 3.619 -11.885 1.00 0.00 O ATOM 897 CB GLU A 59 -1.247 3.992 -12.583 1.00 0.00 C ATOM 898 CG GLU A 59 -0.770 3.685 -11.161 1.00 0.00 C ATOM 899 CD GLU A 59 -1.724 2.713 -10.461 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.195 1.785 -11.151 1.00 0.00 O ATOM 901 OE2 GLU A 59 -1.958 2.924 -9.251 1.00 0.00 O ATOM 0 H GLU A 59 -1.072 6.356 -11.746 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.847 4.995 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.551 3.069 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.424 4.408 -13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.232 3.257 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.703 4.610 -10.588 1.00 0.00 H new ATOM 908 N ASP A 60 -3.521 5.180 -10.434 1.00 0.00 N ATOM 909 CA ASP A 60 -4.496 4.858 -9.407 1.00 0.00 C ATOM 910 C ASP A 60 -5.905 5.057 -9.968 1.00 0.00 C ATOM 911 O ASP A 60 -6.724 4.139 -9.940 1.00 0.00 O ATOM 912 CB ASP A 60 -4.338 5.773 -8.190 1.00 0.00 C ATOM 913 CG ASP A 60 -5.548 5.821 -7.255 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.159 4.747 -7.064 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.836 6.930 -6.755 1.00 0.00 O ATOM 0 H ASP A 60 -2.877 5.932 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.336 3.823 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.469 5.446 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.127 6.784 -8.539 1.00 0.00 H new ATOM 920 N VAL A 61 -6.145 6.261 -10.466 1.00 0.00 N ATOM 921 CA VAL A 61 -7.441 6.592 -11.033 1.00 0.00 C ATOM 922 C VAL A 61 -7.704 5.700 -12.249 1.00 0.00 C ATOM 923 O VAL A 61 -8.848 5.539 -12.670 1.00 0.00 O ATOM 924 CB VAL A 61 -7.504 8.085 -11.363 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.174 8.574 -11.940 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.661 8.388 -12.316 1.00 0.00 C ATOM 0 H VAL A 61 -5.463 7.020 -10.489 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.233 6.399 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.686 8.627 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.245 9.638 -12.166 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.379 8.410 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.949 8.023 -12.853 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.683 9.456 -12.534 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.524 7.831 -13.243 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.602 8.093 -11.851 1.00 0.00 H new ATOM 936 N GLY A 62 -6.624 5.143 -12.778 1.00 0.00 N ATOM 937 CA GLY A 62 -6.723 4.272 -13.936 1.00 0.00 C ATOM 938 C GLY A 62 -7.109 5.064 -15.187 1.00 0.00 C ATOM 939 O GLY A 62 -8.266 5.051 -15.603 1.00 0.00 O ATOM 0 H GLY A 62 -5.676 5.278 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.770 3.769 -14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.465 3.496 -13.749 1.00 0.00 H new ATOM 943 N HIS A 63 -6.116 5.737 -15.752 1.00 0.00 N ATOM 944 CA HIS A 63 -6.337 6.534 -16.946 1.00 0.00 C ATOM 945 C HIS A 63 -6.576 5.610 -18.143 1.00 0.00 C ATOM 946 O HIS A 63 -5.919 4.578 -18.275 1.00 0.00 O ATOM 947 CB HIS A 63 -5.178 7.507 -17.171 1.00 0.00 C ATOM 948 CG HIS A 63 -5.193 8.702 -16.249 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.494 8.736 -15.054 1.00 0.00 N ATOM 950 CD2 HIS A 63 -5.827 9.905 -16.358 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.706 9.910 -14.478 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.533 10.633 -15.288 1.00 0.00 N ATOM 0 H HIS A 63 -5.157 5.746 -15.404 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.230 7.146 -16.819 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.237 6.972 -17.041 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.206 7.857 -18.203 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.914 7.984 -14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.461 10.213 -17.176 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.297 10.237 -13.534 1.00 0.00 H new ATOM 960 N SER A 64 -7.516 6.015 -18.983 1.00 0.00 N ATOM 961 CA SER A 64 -7.850 5.236 -20.164 1.00 0.00 C ATOM 962 C SER A 64 -6.638 5.151 -21.094 1.00 0.00 C ATOM 963 O SER A 64 -5.658 5.871 -20.912 1.00 0.00 O ATOM 964 CB SER A 64 -9.045 5.842 -20.904 1.00 0.00 C ATOM 965 OG SER A 64 -10.275 5.584 -20.233 1.00 0.00 O ATOM 0 H SER A 64 -8.057 6.872 -18.870 1.00 0.00 H new ATOM 0 HA SER A 64 -8.127 4.231 -19.844 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.904 6.918 -21.001 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.091 5.435 -21.914 1.00 0.00 H new ATOM 0 HG SER A 64 -11.013 5.988 -20.736 1.00 0.00 H new ATOM 971 N THR A 65 -6.743 4.262 -22.071 1.00 0.00 N ATOM 972 CA THR A 65 -5.668 4.073 -23.030 1.00 0.00 C ATOM 973 C THR A 65 -5.645 5.223 -24.039 1.00 0.00 C ATOM 974 O THR A 65 -4.705 5.346 -24.823 1.00 0.00 O ATOM 975 CB THR A 65 -5.850 2.698 -23.678 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.769 2.606 -24.604 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.100 2.626 -24.557 1.00 0.00 C ATOM 0 H THR A 65 -7.556 3.665 -22.219 1.00 0.00 H new ATOM 0 HA THR A 65 -4.694 4.092 -22.542 1.00 0.00 H new ATOM 0 HB THR A 65 -5.908 1.935 -22.902 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.462 3.507 -24.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.182 1.630 -24.992 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.983 2.831 -23.952 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.027 3.366 -25.354 1.00 0.00 H new ATOM 985 N ASP A 66 -6.690 6.035 -23.987 1.00 0.00 N ATOM 986 CA ASP A 66 -6.802 7.170 -24.887 1.00 0.00 C ATOM 987 C ASP A 66 -6.108 8.382 -24.260 1.00 0.00 C ATOM 988 O ASP A 66 -6.059 9.453 -24.862 1.00 0.00 O ATOM 989 CB ASP A 66 -8.266 7.537 -25.131 1.00 0.00 C ATOM 990 CG ASP A 66 -9.139 6.399 -25.664 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.550 5.442 -26.212 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.373 6.512 -25.512 1.00 0.00 O ATOM 0 H ASP A 66 -7.467 5.929 -23.335 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.337 6.897 -25.834 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.695 7.896 -24.196 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.304 8.365 -25.838 1.00 0.00 H new ATOM 997 N VAL A 67 -5.590 8.171 -23.059 1.00 0.00 N ATOM 998 CA VAL A 67 -4.902 9.232 -22.344 1.00 0.00 C ATOM 999 C VAL A 67 -3.457 9.321 -22.839 1.00 0.00 C ATOM 1000 O VAL A 67 -2.913 10.415 -22.985 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.004 8.998 -20.836 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.617 8.980 -20.189 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.901 10.049 -20.178 1.00 0.00 C ATOM 0 H VAL A 67 -5.633 7.281 -22.563 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.373 10.195 -22.543 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.460 8.021 -20.679 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.718 8.812 -19.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.021 8.179 -20.627 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.123 9.936 -20.362 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.957 9.860 -19.106 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.485 11.042 -20.350 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.901 9.995 -20.608 1.00 0.00 H new ATOM 1013 N ARG A 68 -2.876 8.156 -23.084 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.505 8.088 -23.560 1.00 0.00 C ATOM 1015 C ARG A 68 -1.390 8.732 -24.942 1.00 0.00 C ATOM 1016 O ARG A 68 -0.298 9.102 -25.371 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.020 6.638 -23.639 1.00 0.00 C ATOM 1018 CG ARG A 68 -1.723 5.885 -24.770 1.00 0.00 C ATOM 1019 CD ARG A 68 -0.707 5.297 -25.751 1.00 0.00 C ATOM 1020 NE ARG A 68 -1.224 5.395 -27.135 1.00 0.00 N ATOM 1021 CZ ARG A 68 -0.479 5.194 -28.230 1.00 0.00 C ATOM 1022 NH1 ARG A 68 0.819 4.885 -28.111 1.00 0.00 N ATOM 1023 NH2 ARG A 68 -1.032 5.304 -29.446 1.00 0.00 N ATOM 0 H ARG A 68 -3.330 7.251 -22.962 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.881 8.630 -22.850 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.058 6.620 -23.800 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.209 6.135 -22.690 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.336 5.086 -24.354 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.395 6.561 -25.299 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.240 5.830 -25.669 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.509 4.255 -25.501 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.208 5.630 -27.263 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.241 4.803 -27.186 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.385 4.732 -28.945 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.020 5.541 -29.537 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.465 5.151 -30.280 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.534 8.847 -25.603 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.574 9.441 -26.928 1.00 0.00 C ATOM 1039 C GLU A 69 -3.011 10.904 -26.842 1.00 0.00 C ATOM 1040 O GLU A 69 -2.698 11.703 -27.723 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.498 8.648 -27.856 1.00 0.00 C ATOM 1042 CG GLU A 69 -4.937 8.661 -27.340 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.863 7.881 -28.276 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.540 6.703 -28.540 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.872 8.480 -28.705 1.00 0.00 O ATOM 0 H GLU A 69 -3.438 8.539 -25.245 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.570 9.406 -27.350 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.464 9.073 -28.859 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.145 7.620 -27.934 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.973 8.225 -26.341 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.286 9.690 -27.252 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.727 11.212 -25.770 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.210 12.566 -25.556 1.00 0.00 C ATOM 1054 C LEU A 70 -3.028 13.537 -25.599 1.00 0.00 C ATOM 1055 O LEU A 70 -2.932 14.363 -26.506 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.025 12.646 -24.264 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.478 13.100 -24.414 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.557 14.601 -24.698 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.202 12.277 -25.482 1.00 0.00 C ATOM 0 H LEU A 70 -3.984 10.547 -25.040 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.892 12.858 -26.354 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.019 11.663 -23.793 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.520 13.330 -23.581 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.990 12.923 -23.468 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.601 14.898 -24.800 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.102 15.152 -23.874 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.024 14.825 -25.622 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.233 12.620 -25.569 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.697 12.400 -26.440 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.192 11.224 -25.199 1.00 0.00 H new ATOM 1071 N SER A 71 -2.159 13.406 -24.608 1.00 0.00 N ATOM 1072 CA SER A 71 -0.989 14.262 -24.521 1.00 0.00 C ATOM 1073 C SER A 71 0.092 13.769 -25.486 1.00 0.00 C ATOM 1074 O SER A 71 1.126 13.258 -25.057 1.00 0.00 O ATOM 1075 CB SER A 71 -0.443 14.307 -23.092 1.00 0.00 C ATOM 1076 OG SER A 71 -1.292 15.049 -22.220 1.00 0.00 O ATOM 0 H SER A 71 -2.242 12.720 -23.858 1.00 0.00 H new ATOM 0 HA SER A 71 -1.284 15.273 -24.800 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.333 13.291 -22.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.551 14.754 -23.097 1.00 0.00 H new ATOM 0 HG SER A 71 -0.910 15.053 -21.317 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.184 13.941 -26.770 1.00 0.00 N ATOM 1083 CA LYS A 72 0.751 13.520 -27.800 1.00 0.00 C ATOM 1084 C LYS A 72 1.765 14.638 -28.049 1.00 0.00 C ATOM 1085 O LYS A 72 2.971 14.394 -28.077 1.00 0.00 O ATOM 1086 CB LYS A 72 0.000 13.077 -29.057 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.022 11.552 -29.174 1.00 0.00 C ATOM 1088 CD LYS A 72 -1.099 11.094 -30.160 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.509 10.882 -31.556 1.00 0.00 C ATOM 1090 NZ LYS A 72 -1.581 10.597 -32.535 1.00 0.00 N ATOM 0 H LYS A 72 -1.042 14.366 -27.121 1.00 0.00 H new ATOM 0 HA LYS A 72 1.314 12.647 -27.471 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.021 13.458 -29.028 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.475 13.506 -29.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.954 11.195 -29.504 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.209 11.111 -28.195 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.550 10.166 -29.807 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.895 11.838 -30.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.044 11.770 -31.862 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.201 10.056 -31.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.163 10.456 -33.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.091 9.737 -32.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.244 11.398 -32.567 1.00 0.00 H new ATOM 1104 N THR A 73 1.239 15.842 -28.225 1.00 0.00 N ATOM 1105 CA THR A 73 2.083 16.999 -28.472 1.00 0.00 C ATOM 1106 C THR A 73 2.586 17.583 -27.151 1.00 0.00 C ATOM 1107 O THR A 73 3.690 18.121 -27.086 1.00 0.00 O ATOM 1108 CB THR A 73 1.284 17.997 -29.312 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.309 17.443 -30.624 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.997 19.341 -29.459 1.00 0.00 C ATOM 0 H THR A 73 0.239 16.041 -28.201 1.00 0.00 H new ATOM 0 HA THR A 73 2.977 16.724 -29.032 1.00 0.00 H new ATOM 0 HB THR A 73 0.306 18.154 -28.857 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.812 18.026 -31.235 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.387 20.012 -30.064 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.152 19.780 -28.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.961 19.190 -29.945 1.00 0.00 H new ATOM 1118 N TYR A 74 1.752 17.458 -26.129 1.00 0.00 N ATOM 1119 CA TYR A 74 2.098 17.966 -24.813 1.00 0.00 C ATOM 1120 C TYR A 74 3.360 17.287 -24.277 1.00 0.00 C ATOM 1121 O TYR A 74 4.205 17.936 -23.660 1.00 0.00 O ATOM 1122 CB TYR A 74 0.920 17.616 -23.902 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.358 18.398 -24.211 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.279 19.683 -24.708 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.591 17.818 -23.991 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.482 20.418 -24.999 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.795 18.553 -24.282 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.680 19.817 -24.772 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.817 20.511 -25.047 1.00 0.00 O ATOM 0 H TYR A 74 0.837 17.012 -26.186 1.00 0.00 H new ATOM 0 HA TYR A 74 2.290 19.038 -24.855 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.711 16.550 -23.988 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.206 17.802 -22.867 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.686 20.137 -24.879 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.653 16.813 -23.601 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.434 21.424 -25.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.766 18.111 -24.115 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.597 19.957 -24.837 1.00 0.00 H new ATOM 1139 N ILE A 75 3.450 15.990 -24.532 1.00 0.00 N ATOM 1140 CA ILE A 75 4.595 15.217 -24.083 1.00 0.00 C ATOM 1141 C ILE A 75 5.854 16.080 -24.170 1.00 0.00 C ATOM 1142 O ILE A 75 6.030 16.833 -25.126 1.00 0.00 O ATOM 1143 CB ILE A 75 4.694 13.904 -24.864 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.909 12.791 -24.167 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.154 13.515 -25.098 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.769 12.090 -23.114 1.00 0.00 C ATOM 0 H ILE A 75 2.748 15.455 -25.044 1.00 0.00 H new ATOM 0 HA ILE A 75 4.476 14.932 -23.038 1.00 0.00 H new ATOM 0 HB ILE A 75 4.239 14.054 -25.843 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.019 13.209 -23.696 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.568 12.065 -24.905 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.196 12.579 -25.655 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.653 14.299 -25.668 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.655 13.389 -24.138 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.187 11.303 -22.634 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.645 11.652 -23.592 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.089 12.814 -22.364 1.00 0.00 H new ATOM 1158 N ILE A 76 6.699 15.942 -23.158 1.00 0.00 N ATOM 1159 CA ILE A 76 7.937 16.700 -23.108 1.00 0.00 C ATOM 1160 C ILE A 76 9.102 15.793 -23.510 1.00 0.00 C ATOM 1161 O ILE A 76 9.970 16.197 -24.282 1.00 0.00 O ATOM 1162 CB ILE A 76 8.111 17.352 -21.735 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.196 16.642 -20.923 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.780 17.411 -20.983 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.717 17.541 -19.800 1.00 0.00 C ATOM 0 H ILE A 76 6.550 15.316 -22.366 1.00 0.00 H new ATOM 0 HA ILE A 76 7.910 17.521 -23.824 1.00 0.00 H new ATOM 0 HB ILE A 76 8.442 18.379 -21.886 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.795 15.721 -20.500 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.019 16.359 -21.579 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.932 17.879 -20.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.062 17.996 -21.559 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.396 16.401 -20.843 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.487 17.012 -19.238 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.140 18.450 -20.228 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.896 17.802 -19.132 1.00 0.00 H new ATOM 1177 N GLY A 77 9.085 14.585 -22.966 1.00 0.00 N ATOM 1178 CA GLY A 77 10.129 13.617 -23.259 1.00 0.00 C ATOM 1179 C GLY A 77 10.230 12.569 -22.150 1.00 0.00 C ATOM 1180 O GLY A 77 9.332 11.743 -21.986 1.00 0.00 O ATOM 0 H GLY A 77 8.365 14.254 -22.324 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.919 13.127 -24.210 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.085 14.129 -23.369 1.00 0.00 H new ATOM 1184 N GLU A 78 11.330 12.635 -21.415 1.00 0.00 N ATOM 1185 CA GLU A 78 11.561 11.701 -20.326 1.00 0.00 C ATOM 1186 C GLU A 78 12.768 12.142 -19.495 1.00 0.00 C ATOM 1187 O GLU A 78 13.880 12.237 -20.011 1.00 0.00 O ATOM 1188 CB GLU A 78 11.750 10.278 -20.855 1.00 0.00 C ATOM 1189 CG GLU A 78 12.875 10.222 -21.890 1.00 0.00 C ATOM 1190 CD GLU A 78 12.812 8.926 -22.700 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.964 8.871 -23.617 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.612 8.020 -22.383 1.00 0.00 O ATOM 0 H GLU A 78 12.072 13.321 -21.552 1.00 0.00 H new ATOM 0 HA GLU A 78 10.682 11.700 -19.682 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.979 9.606 -20.028 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.821 9.927 -21.304 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.800 11.078 -22.561 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.840 10.294 -21.388 1.00 0.00 H new ATOM 1199 N LEU A 79 12.507 12.398 -18.221 1.00 0.00 N ATOM 1200 CA LEU A 79 13.557 12.826 -17.314 1.00 0.00 C ATOM 1201 C LEU A 79 14.651 11.758 -17.265 1.00 0.00 C ATOM 1202 O LEU A 79 14.400 10.594 -17.578 1.00 0.00 O ATOM 1203 CB LEU A 79 12.973 13.172 -15.942 1.00 0.00 C ATOM 1204 CG LEU A 79 12.983 12.046 -14.906 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.668 10.698 -15.558 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.308 12.016 -14.142 1.00 0.00 C ATOM 0 H LEU A 79 11.583 12.317 -17.796 1.00 0.00 H new ATOM 0 HA LEU A 79 14.022 13.742 -17.677 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.528 14.018 -15.536 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.944 13.503 -16.080 1.00 0.00 H new ATOM 0 HG LEU A 79 12.196 12.244 -14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.682 9.915 -14.800 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.682 10.739 -16.020 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.416 10.478 -16.320 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.289 11.207 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.128 11.854 -14.842 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.453 12.966 -13.627 1.00 0.00 H new ATOM 1218 N HIS A 80 15.839 12.189 -16.871 1.00 0.00 N ATOM 1219 CA HIS A 80 16.971 11.284 -16.777 1.00 0.00 C ATOM 1220 C HIS A 80 16.495 9.915 -16.289 1.00 0.00 C ATOM 1221 O HIS A 80 15.652 9.829 -15.396 1.00 0.00 O ATOM 1222 CB HIS A 80 18.072 11.878 -15.895 1.00 0.00 C ATOM 1223 CG HIS A 80 19.466 11.434 -16.268 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.172 10.491 -15.541 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.274 11.812 -17.298 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.353 10.319 -16.117 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.414 11.139 -17.206 1.00 0.00 N ATOM 0 H HIS A 80 16.043 13.154 -16.613 1.00 0.00 H new ATOM 0 HA HIS A 80 17.412 11.146 -17.764 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.021 12.965 -15.951 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.880 11.603 -14.858 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.028 12.537 -18.060 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.131 9.648 -15.783 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.205 11.221 -17.844 1.00 0.00 H new ATOM 1235 N PRO A 81 17.069 8.851 -16.911 1.00 0.00 N ATOM 1236 CA PRO A 81 16.711 7.489 -16.549 1.00 0.00 C ATOM 1237 C PRO A 81 17.343 7.093 -15.213 1.00 0.00 C ATOM 1238 O PRO A 81 16.789 6.277 -14.478 1.00 0.00 O ATOM 1239 CB PRO A 81 17.192 6.634 -17.710 1.00 0.00 C ATOM 1240 CG PRO A 81 18.209 7.481 -18.458 1.00 0.00 C ATOM 1241 CD PRO A 81 18.070 8.914 -17.971 1.00 0.00 C ATOM 0 HA PRO A 81 15.639 7.362 -16.396 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.642 5.708 -17.353 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.362 6.355 -18.360 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.219 7.113 -18.278 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.036 7.425 -19.533 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.019 9.299 -17.597 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.753 9.577 -18.776 1.00 0.00 H new ATOM 1249 N ASP A 82 18.494 7.689 -14.939 1.00 0.00 N ATOM 1250 CA ASP A 82 19.207 7.409 -13.704 1.00 0.00 C ATOM 1251 C ASP A 82 18.492 8.098 -12.540 1.00 0.00 C ATOM 1252 O ASP A 82 18.502 7.597 -11.416 1.00 0.00 O ATOM 1253 CB ASP A 82 20.639 7.943 -13.762 1.00 0.00 C ATOM 1254 CG ASP A 82 21.722 6.930 -13.383 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.549 5.749 -13.754 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.699 7.360 -12.733 1.00 0.00 O ATOM 0 H ASP A 82 18.951 8.365 -15.551 1.00 0.00 H new ATOM 0 HA ASP A 82 19.231 6.328 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.836 8.303 -14.772 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.718 8.803 -13.096 1.00 0.00 H new ATOM 1261 N ASP A 83 17.889 9.237 -12.849 1.00 0.00 N ATOM 1262 CA ASP A 83 17.170 10.000 -11.842 1.00 0.00 C ATOM 1263 C ASP A 83 15.733 9.486 -11.748 1.00 0.00 C ATOM 1264 O ASP A 83 15.040 9.745 -10.765 1.00 0.00 O ATOM 1265 CB ASP A 83 17.119 11.485 -12.209 1.00 0.00 C ATOM 1266 CG ASP A 83 18.476 12.190 -12.244 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.229 11.928 -13.207 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.732 12.974 -11.304 1.00 0.00 O ATOM 0 H ASP A 83 17.883 9.650 -13.782 1.00 0.00 H new ATOM 0 HA ASP A 83 17.692 9.881 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.649 11.586 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.478 11.999 -11.493 1.00 0.00 H new ATOM 1273 N ARG A 84 15.326 8.767 -12.784 1.00 0.00 N ATOM 1274 CA ARG A 84 13.984 8.214 -12.830 1.00 0.00 C ATOM 1275 C ARG A 84 13.835 7.092 -11.801 1.00 0.00 C ATOM 1276 O ARG A 84 12.746 6.868 -11.275 1.00 0.00 O ATOM 1277 CB ARG A 84 13.662 7.665 -14.221 1.00 0.00 C ATOM 1278 CG ARG A 84 12.787 6.414 -14.129 1.00 0.00 C ATOM 1279 CD ARG A 84 13.645 5.155 -13.987 1.00 0.00 C ATOM 1280 NE ARG A 84 13.022 4.032 -14.722 1.00 0.00 N ATOM 1281 CZ ARG A 84 13.465 2.768 -14.681 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.537 2.458 -13.938 1.00 0.00 N ATOM 1283 NH2 ARG A 84 12.837 1.814 -15.381 1.00 0.00 N ATOM 0 H ARG A 84 15.903 8.555 -13.598 1.00 0.00 H new ATOM 0 HA ARG A 84 13.287 9.019 -12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.150 8.428 -14.807 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.588 7.428 -14.745 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.114 6.498 -13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.164 6.335 -15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.647 5.342 -14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.753 4.896 -12.934 1.00 0.00 H new ATOM 0 HE ARG A 84 12.203 4.233 -15.296 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.015 3.184 -13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.875 1.496 -13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.021 2.049 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.175 0.852 -15.349 1.00 0.00 H new ATOM 1297 N SER A 85 14.946 6.417 -11.544 1.00 0.00 N ATOM 1298 CA SER A 85 14.954 5.324 -10.587 1.00 0.00 C ATOM 1299 C SER A 85 15.287 5.854 -9.191 1.00 0.00 C ATOM 1300 O SER A 85 15.141 5.139 -8.200 1.00 0.00 O ATOM 1301 CB SER A 85 15.954 4.240 -10.996 1.00 0.00 C ATOM 1302 OG SER A 85 15.604 2.964 -10.466 1.00 0.00 O ATOM 0 H SER A 85 15.847 6.606 -11.982 1.00 0.00 H new ATOM 0 HA SER A 85 13.961 4.876 -10.572 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.000 4.181 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.950 4.516 -10.649 1.00 0.00 H new ATOM 0 HG SER A 85 16.265 2.299 -10.750 1.00 0.00 H new ATOM 1308 N LYS A 86 15.727 7.103 -9.156 1.00 0.00 N ATOM 1309 CA LYS A 86 16.081 7.736 -7.897 1.00 0.00 C ATOM 1310 C LYS A 86 14.820 8.309 -7.246 1.00 0.00 C ATOM 1311 O LYS A 86 14.738 8.406 -6.023 1.00 0.00 O ATOM 1312 CB LYS A 86 17.187 8.772 -8.111 1.00 0.00 C ATOM 1313 CG LYS A 86 18.534 8.091 -8.365 1.00 0.00 C ATOM 1314 CD LYS A 86 19.556 9.087 -8.917 1.00 0.00 C ATOM 1315 CE LYS A 86 20.966 8.754 -8.428 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.337 7.375 -8.816 1.00 0.00 N ATOM 0 H LYS A 86 15.846 7.694 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 86 16.492 7.002 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.933 9.411 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.261 9.417 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.907 7.658 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.403 7.270 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.532 9.072 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.289 10.097 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.680 9.461 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.016 8.859 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.358 7.238 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.813 6.696 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.100 7.220 -9.817 1.00 0.00 H new ATOM 1330 N ILE A 87 13.868 8.673 -8.093 1.00 0.00 N ATOM 1331 CA ILE A 87 12.616 9.234 -7.617 1.00 0.00 C ATOM 1332 C ILE A 87 11.904 8.205 -6.736 1.00 0.00 C ATOM 1333 O ILE A 87 10.960 8.540 -6.023 1.00 0.00 O ATOM 1334 CB ILE A 87 11.770 9.730 -8.790 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.319 11.044 -9.346 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.297 9.847 -8.393 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.750 11.333 -10.737 1.00 0.00 C ATOM 0 H ILE A 87 13.939 8.590 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 87 12.803 10.111 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 87 11.831 8.992 -9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.069 11.862 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.407 10.995 -9.397 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.718 10.202 -9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.925 8.871 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.197 10.552 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.157 12.273 -11.109 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.023 10.526 -11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.664 11.406 -10.678 1.00 0.00 H new ATOM 1349 N ALA A 88 12.385 6.972 -6.816 1.00 0.00 N ATOM 1350 CA ALA A 88 11.806 5.892 -6.035 1.00 0.00 C ATOM 1351 C ALA A 88 11.636 6.351 -4.585 1.00 0.00 C ATOM 1352 O ALA A 88 12.550 6.214 -3.775 1.00 0.00 O ATOM 1353 CB ALA A 88 12.689 4.648 -6.152 1.00 0.00 C ATOM 0 H ALA A 88 13.168 6.698 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 88 10.819 5.629 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.255 3.838 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.755 4.346 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.687 4.873 -5.776 1.00 0.00 H new