USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 905 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.173 USER MOD Single : A 3 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.76) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.5!) USER MOD Single : A 10 ASN : amide:sc= -2.24! C(o=-2.2!,f=-1.5!) USER MOD Single : A 11 THR OG1 : rot 160:sc= -4.6! USER MOD Single : A 14 HIS : no HD1:sc= -9.65! C(o=-9.7!,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -100:sc= -0.277 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00306 X(o=-0.0031,f=-0.0031) USER MOD Single : A 58 THR OG1 : rot -73:sc= 1.14 USER MOD Single : A 62 GLN : amide:sc= -4.76! C(o=-4.8!,f=-3.1!) USER MOD Single : A 63 ASN : amide:sc= -1.02! C(o=-1!,f=-6.4!) USER MOD Single : A 64 GLN : amide:sc= -0.435 K(o=-0.43,f=-2.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -118:sc= -0.662! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 27:sc= 1.25 USER MOD Single : A 91 THR OG1 : rot -59:sc= 0.7 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.005 37.474 0.691 1.00 0.00 N ATOM 2 CA GLY A 1 3.151 36.063 0.237 1.00 0.00 C ATOM 3 C GLY A 1 4.315 35.962 -0.749 1.00 0.00 C ATOM 4 O GLY A 1 5.458 36.179 -0.399 1.00 0.00 O ATOM 0 H1 GLY A 1 2.213 37.543 1.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.882 37.781 1.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.818 38.085 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.328 35.411 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.229 35.725 -0.236 1.00 0.00 H new ATOM 10 N SER A 2 4.034 35.634 -1.980 1.00 0.00 N ATOM 11 CA SER A 2 5.125 35.520 -2.990 1.00 0.00 C ATOM 12 C SER A 2 4.639 36.042 -4.345 1.00 0.00 C ATOM 13 O SER A 2 3.629 36.711 -4.436 1.00 0.00 O ATOM 14 CB SER A 2 5.437 34.027 -3.069 1.00 0.00 C ATOM 15 OG SER A 2 5.177 33.427 -1.808 1.00 0.00 O ATOM 0 H SER A 2 3.096 35.440 -2.331 1.00 0.00 H new ATOM 0 HA SER A 2 6.005 36.104 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.828 33.557 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.480 33.876 -3.349 1.00 0.00 H new ATOM 0 HG SER A 2 5.375 32.468 -1.855 1.00 0.00 H new ATOM 21 N HIS A 3 5.347 35.744 -5.399 1.00 0.00 N ATOM 22 CA HIS A 3 4.918 36.230 -6.741 1.00 0.00 C ATOM 23 C HIS A 3 5.162 35.151 -7.802 1.00 0.00 C ATOM 24 O HIS A 3 5.444 35.443 -8.946 1.00 0.00 O ATOM 25 CB HIS A 3 5.786 37.459 -7.010 1.00 0.00 C ATOM 26 CG HIS A 3 5.606 38.452 -5.894 1.00 0.00 C ATOM 27 ND1 HIS A 3 6.561 38.633 -4.905 1.00 0.00 N ATOM 28 CD2 HIS A 3 4.586 39.321 -5.594 1.00 0.00 C ATOM 29 CE1 HIS A 3 6.100 39.578 -4.065 1.00 0.00 C ATOM 30 NE2 HIS A 3 4.900 40.031 -4.439 1.00 0.00 N ATOM 0 H HIS A 3 6.201 35.187 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 3 3.855 36.467 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.834 37.168 -7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.510 37.912 -7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.678 39.436 -6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.635 39.928 -3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.335 40.744 -3.977 1.00 0.00 H new ATOM 38 N MET A 4 5.050 33.905 -7.427 1.00 0.00 N ATOM 39 CA MET A 4 5.270 32.804 -8.409 1.00 0.00 C ATOM 40 C MET A 4 3.940 32.423 -9.076 1.00 0.00 C ATOM 41 O MET A 4 3.448 33.121 -9.938 1.00 0.00 O ATOM 42 CB MET A 4 5.831 31.649 -7.580 1.00 0.00 C ATOM 43 CG MET A 4 7.270 31.967 -7.170 1.00 0.00 C ATOM 44 SD MET A 4 7.262 32.974 -5.667 1.00 0.00 S ATOM 45 CE MET A 4 8.224 31.845 -4.631 1.00 0.00 C ATOM 0 H MET A 4 4.815 33.602 -6.482 1.00 0.00 H new ATOM 0 HA MET A 4 5.949 33.083 -9.214 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.216 31.491 -6.694 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.802 30.725 -8.158 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.823 31.043 -6.998 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.779 32.499 -7.974 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.343 32.276 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.704 30.890 -4.553 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.205 31.687 -5.078 1.00 0.00 H new ATOM 55 N GLN A 5 3.355 31.324 -8.685 1.00 0.00 N ATOM 56 CA GLN A 5 2.058 30.910 -9.299 1.00 0.00 C ATOM 57 C GLN A 5 0.909 31.176 -8.320 1.00 0.00 C ATOM 58 O GLN A 5 0.282 30.262 -7.822 1.00 0.00 O ATOM 59 CB GLN A 5 2.211 29.410 -9.558 1.00 0.00 C ATOM 60 CG GLN A 5 1.132 28.939 -10.539 1.00 0.00 C ATOM 61 CD GLN A 5 1.440 27.505 -10.977 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.399 26.914 -10.522 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.665 26.914 -11.847 1.00 0.00 N ATOM 0 H GLN A 5 3.717 30.695 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 5 1.831 31.460 -10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.201 29.201 -9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.128 28.860 -8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.150 28.985 -10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.100 29.598 -11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.141 27.408 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.866 25.959 -12.143 1.00 0.00 H new ATOM 72 N VAL A 6 0.635 32.423 -8.037 1.00 0.00 N ATOM 73 CA VAL A 6 -0.467 32.748 -7.084 1.00 0.00 C ATOM 74 C VAL A 6 -1.677 31.847 -7.338 1.00 0.00 C ATOM 75 O VAL A 6 -1.779 31.199 -8.361 1.00 0.00 O ATOM 76 CB VAL A 6 -0.822 34.209 -7.363 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.040 34.604 -6.527 1.00 0.00 C ATOM 78 CG2 VAL A 6 0.361 35.104 -6.987 1.00 0.00 C ATOM 0 H VAL A 6 1.126 33.229 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.168 32.592 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.049 34.331 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.295 35.645 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.885 33.968 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.810 34.481 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.107 36.145 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.587 34.982 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.232 34.823 -7.579 1.00 0.00 H new ATOM 88 N VAL A 7 -2.587 31.795 -6.401 1.00 0.00 N ATOM 89 CA VAL A 7 -3.796 30.930 -6.558 1.00 0.00 C ATOM 90 C VAL A 7 -4.299 30.936 -8.003 1.00 0.00 C ATOM 91 O VAL A 7 -4.301 31.951 -8.670 1.00 0.00 O ATOM 92 CB VAL A 7 -4.840 31.547 -5.627 1.00 0.00 C ATOM 93 CG1 VAL A 7 -6.082 30.655 -5.593 1.00 0.00 C ATOM 94 CG2 VAL A 7 -4.258 31.663 -4.217 1.00 0.00 C ATOM 0 H VAL A 7 -2.545 32.318 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.582 29.889 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.113 32.537 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.827 31.094 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.496 30.569 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.809 29.665 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.001 32.103 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.986 30.672 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.372 32.297 -4.240 1.00 0.00 H new ATOM 104 N LEU A 8 -4.732 29.801 -8.487 1.00 0.00 N ATOM 105 CA LEU A 8 -5.244 29.725 -9.887 1.00 0.00 C ATOM 106 C LEU A 8 -6.732 30.083 -9.922 1.00 0.00 C ATOM 107 O LEU A 8 -7.374 30.165 -8.894 1.00 0.00 O ATOM 108 CB LEU A 8 -5.043 28.268 -10.304 1.00 0.00 C ATOM 109 CG LEU A 8 -3.840 28.160 -11.240 1.00 0.00 C ATOM 110 CD1 LEU A 8 -2.645 28.885 -10.621 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.489 26.684 -11.448 1.00 0.00 C ATOM 0 H LEU A 8 -4.753 28.921 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.729 30.417 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.887 27.646 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.938 27.896 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.083 28.616 -12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.787 28.808 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.895 29.935 -10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.400 28.429 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.631 26.605 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.245 26.229 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.341 26.166 -11.889 1.00 0.00 H new ATOM 123 N PRO A 9 -7.230 30.273 -11.112 1.00 0.00 N ATOM 124 CA PRO A 9 -8.659 30.616 -11.292 1.00 0.00 C ATOM 125 C PRO A 9 -9.524 29.368 -11.098 1.00 0.00 C ATOM 126 O PRO A 9 -10.245 28.956 -11.984 1.00 0.00 O ATOM 127 CB PRO A 9 -8.731 31.106 -12.733 1.00 0.00 C ATOM 128 CG PRO A 9 -7.575 30.457 -13.428 1.00 0.00 C ATOM 129 CD PRO A 9 -6.514 30.192 -12.389 1.00 0.00 C ATOM 0 HA PRO A 9 -9.020 31.357 -10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.677 30.826 -13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.661 32.193 -12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.886 29.527 -13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.188 31.104 -14.215 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.057 29.212 -12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.712 30.928 -12.443 1.00 0.00 H new ATOM 137 N ASN A 10 -9.451 28.762 -9.945 1.00 0.00 N ATOM 138 CA ASN A 10 -10.264 27.534 -9.694 1.00 0.00 C ATOM 139 C ASN A 10 -9.793 26.410 -10.619 1.00 0.00 C ATOM 140 O ASN A 10 -10.582 25.735 -11.247 1.00 0.00 O ATOM 141 CB ASN A 10 -11.707 27.924 -10.027 1.00 0.00 C ATOM 142 CG ASN A 10 -11.985 29.353 -9.552 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.198 29.588 -8.379 1.00 0.00 O ATOM 144 ND2 ASN A 10 -11.991 30.326 -10.422 1.00 0.00 N ATOM 0 H ASN A 10 -8.865 29.062 -9.166 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.170 27.179 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.874 27.850 -11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.399 27.231 -9.548 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.174 31.282 -10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.812 30.130 -11.407 1.00 0.00 H new ATOM 151 N THR A 11 -8.508 26.214 -10.716 1.00 0.00 N ATOM 152 CA THR A 11 -7.985 25.143 -11.611 1.00 0.00 C ATOM 153 C THR A 11 -6.892 24.342 -10.897 1.00 0.00 C ATOM 154 O THR A 11 -6.328 24.785 -9.912 1.00 0.00 O ATOM 155 CB THR A 11 -7.403 25.899 -12.811 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.172 26.502 -12.436 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.385 26.984 -13.260 1.00 0.00 C ATOM 0 H THR A 11 -7.798 26.748 -10.215 1.00 0.00 H new ATOM 0 HA THR A 11 -8.754 24.429 -11.905 1.00 0.00 H new ATOM 0 HB THR A 11 -7.234 25.202 -13.632 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.648 26.703 -13.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.969 27.520 -14.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.330 26.523 -13.546 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.555 27.682 -12.441 1.00 0.00 H new ATOM 165 N ALA A 12 -6.581 23.168 -11.383 1.00 0.00 N ATOM 166 CA ALA A 12 -5.516 22.359 -10.727 1.00 0.00 C ATOM 167 C ALA A 12 -4.567 21.804 -11.782 1.00 0.00 C ATOM 168 O ALA A 12 -4.905 21.715 -12.940 1.00 0.00 O ATOM 169 CB ALA A 12 -6.239 21.214 -10.017 1.00 0.00 C ATOM 0 H ALA A 12 -7.016 22.739 -12.200 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.926 22.954 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.509 20.580 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.934 21.622 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.790 20.623 -10.748 1.00 0.00 H new ATOM 175 N LEU A 13 -3.383 21.424 -11.399 1.00 0.00 N ATOM 176 CA LEU A 13 -2.433 20.874 -12.405 1.00 0.00 C ATOM 177 C LEU A 13 -1.789 19.589 -11.887 1.00 0.00 C ATOM 178 O LEU A 13 -1.522 19.444 -10.711 1.00 0.00 O ATOM 179 CB LEU A 13 -1.381 21.968 -12.601 1.00 0.00 C ATOM 180 CG LEU A 13 -0.573 22.146 -11.315 1.00 0.00 C ATOM 181 CD1 LEU A 13 0.848 21.624 -11.527 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.514 23.632 -10.958 1.00 0.00 C ATOM 0 H LEU A 13 -3.033 21.469 -10.442 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.930 20.617 -13.341 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.718 21.704 -13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.865 22.907 -12.870 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.049 21.590 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.423 21.751 -10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.812 20.567 -11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.324 22.181 -12.334 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.061 23.763 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.036 24.182 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.525 24.011 -10.809 1.00 0.00 H new ATOM 194 N HIS A 14 -1.534 18.656 -12.762 1.00 0.00 N ATOM 195 CA HIS A 14 -0.895 17.380 -12.329 1.00 0.00 C ATOM 196 C HIS A 14 0.625 17.524 -12.412 1.00 0.00 C ATOM 197 O HIS A 14 1.156 17.977 -13.405 1.00 0.00 O ATOM 198 CB HIS A 14 -1.386 16.318 -13.323 1.00 0.00 C ATOM 199 CG HIS A 14 -2.887 16.369 -13.436 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.548 17.348 -14.163 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.868 15.556 -12.928 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.868 17.102 -14.069 1.00 0.00 C ATOM 203 NE2 HIS A 14 -5.118 16.021 -13.327 1.00 0.00 N ATOM 0 H HIS A 14 -1.740 18.721 -13.759 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.149 17.113 -11.303 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.934 16.487 -14.300 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.072 15.328 -12.994 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.696 14.686 -12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.632 17.706 -14.537 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.029 15.622 -13.101 1.00 0.00 H new ATOM 211 N LEU A 15 1.334 17.155 -11.381 1.00 0.00 N ATOM 212 CA LEU A 15 2.817 17.290 -11.429 1.00 0.00 C ATOM 213 C LEU A 15 3.487 16.014 -10.923 1.00 0.00 C ATOM 214 O LEU A 15 2.893 15.221 -10.219 1.00 0.00 O ATOM 215 CB LEU A 15 3.177 18.490 -10.539 1.00 0.00 C ATOM 216 CG LEU A 15 2.213 18.624 -9.355 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.816 19.591 -8.338 1.00 0.00 C ATOM 218 CD2 LEU A 15 0.870 19.186 -9.827 1.00 0.00 C ATOM 0 H LEU A 15 0.956 16.770 -10.516 1.00 0.00 H new ATOM 0 HA LEU A 15 3.166 17.447 -12.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.196 18.376 -10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.154 19.404 -11.133 1.00 0.00 H new ATOM 0 HG LEU A 15 2.056 17.642 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.139 19.695 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.775 19.204 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.965 20.564 -8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.194 19.276 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.024 20.168 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.434 18.514 -10.567 1.00 0.00 H new ATOM 230 N LYS A 16 4.719 15.803 -11.295 1.00 0.00 N ATOM 231 CA LYS A 16 5.428 14.569 -10.854 1.00 0.00 C ATOM 232 C LYS A 16 6.470 14.901 -9.784 1.00 0.00 C ATOM 233 O LYS A 16 7.412 15.630 -10.025 1.00 0.00 O ATOM 234 CB LYS A 16 6.111 14.038 -12.114 1.00 0.00 C ATOM 235 CG LYS A 16 5.688 12.587 -12.352 1.00 0.00 C ATOM 236 CD LYS A 16 6.077 12.171 -13.771 1.00 0.00 C ATOM 237 CE LYS A 16 7.365 11.344 -13.727 1.00 0.00 C ATOM 238 NZ LYS A 16 8.321 12.068 -14.609 1.00 0.00 N ATOM 0 H LYS A 16 5.265 16.431 -11.885 1.00 0.00 H new ATOM 0 HA LYS A 16 4.747 13.840 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.841 14.652 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.194 14.099 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.168 11.933 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.612 12.483 -12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.274 11.589 -14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.221 13.054 -14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.749 11.266 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.193 10.328 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.228 11.560 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.933 12.121 -15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.471 13.030 -14.243 1.00 0.00 H new ATOM 252 N ALA A 17 6.310 14.366 -8.606 1.00 0.00 N ATOM 253 CA ALA A 17 7.296 14.644 -7.528 1.00 0.00 C ATOM 254 C ALA A 17 8.524 13.753 -7.711 1.00 0.00 C ATOM 255 O ALA A 17 8.462 12.545 -7.565 1.00 0.00 O ATOM 256 CB ALA A 17 6.573 14.311 -6.223 1.00 0.00 C ATOM 0 H ALA A 17 5.540 13.750 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 17 7.644 15.677 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.241 14.492 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.688 14.940 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.274 13.263 -6.230 1.00 0.00 H new ATOM 262 N LEU A 18 9.636 14.346 -8.045 1.00 0.00 N ATOM 263 CA LEU A 18 10.881 13.554 -8.254 1.00 0.00 C ATOM 264 C LEU A 18 11.812 13.696 -7.046 1.00 0.00 C ATOM 265 O LEU A 18 12.493 14.690 -6.892 1.00 0.00 O ATOM 266 CB LEU A 18 11.520 14.175 -9.501 1.00 0.00 C ATOM 267 CG LEU A 18 11.065 13.421 -10.757 1.00 0.00 C ATOM 268 CD1 LEU A 18 11.850 12.115 -10.885 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.568 13.106 -10.660 1.00 0.00 C ATOM 0 H LEU A 18 9.737 15.352 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 18 10.685 12.488 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.241 15.226 -9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.606 14.139 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 18 11.248 14.044 -11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.525 11.581 -11.778 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.915 12.336 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.671 11.495 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.250 12.571 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.382 12.488 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.005 14.036 -10.575 1.00 0.00 H new ATOM 281 N LEU A 19 11.844 12.714 -6.183 1.00 0.00 N ATOM 282 CA LEU A 19 12.728 12.803 -4.985 1.00 0.00 C ATOM 283 C LEU A 19 12.970 11.412 -4.391 1.00 0.00 C ATOM 284 O LEU A 19 12.092 10.572 -4.380 1.00 0.00 O ATOM 285 CB LEU A 19 11.940 13.662 -3.994 1.00 0.00 C ATOM 286 CG LEU A 19 12.891 14.560 -3.201 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.100 13.754 -2.725 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.369 15.705 -4.096 1.00 0.00 C ATOM 0 H LEU A 19 11.297 11.856 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 19 13.706 13.221 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.213 14.273 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.379 13.022 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 19 12.364 14.960 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.771 14.403 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.764 12.937 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.628 13.347 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.047 16.347 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.890 15.297 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.511 16.288 -4.430 1.00 0.00 H new ATOM 300 N ASP A 20 14.145 11.172 -3.876 1.00 0.00 N ATOM 301 CA ASP A 20 14.426 9.850 -3.253 1.00 0.00 C ATOM 302 C ASP A 20 13.888 9.869 -1.819 1.00 0.00 C ATOM 303 O ASP A 20 14.484 10.446 -0.932 1.00 0.00 O ATOM 304 CB ASP A 20 15.950 9.718 -3.263 1.00 0.00 C ATOM 305 CG ASP A 20 16.395 9.015 -4.547 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.875 9.359 -5.595 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.246 8.146 -4.460 1.00 0.00 O ATOM 0 H ASP A 20 14.921 11.834 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 20 13.959 9.016 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.411 10.703 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.282 9.152 -2.393 1.00 0.00 H new ATOM 312 N PHE A 21 12.752 9.272 -1.592 1.00 0.00 N ATOM 313 CA PHE A 21 12.164 9.292 -0.220 1.00 0.00 C ATOM 314 C PHE A 21 12.197 7.901 0.418 1.00 0.00 C ATOM 315 O PHE A 21 11.906 6.904 -0.215 1.00 0.00 O ATOM 316 CB PHE A 21 10.722 9.752 -0.427 1.00 0.00 C ATOM 317 CG PHE A 21 10.344 10.731 0.659 1.00 0.00 C ATOM 318 CD1 PHE A 21 10.803 12.053 0.603 1.00 0.00 C ATOM 319 CD2 PHE A 21 9.533 10.317 1.722 1.00 0.00 C ATOM 320 CE1 PHE A 21 10.451 12.959 1.609 1.00 0.00 C ATOM 321 CE2 PHE A 21 9.182 11.225 2.730 1.00 0.00 C ATOM 322 CZ PHE A 21 9.641 12.545 2.673 1.00 0.00 C ATOM 0 H PHE A 21 12.205 8.772 -2.293 1.00 0.00 H new ATOM 0 HA PHE A 21 12.720 9.946 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.615 10.220 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.049 8.894 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.429 12.373 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.178 9.298 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.804 13.979 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.557 10.906 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.371 13.245 3.450 1.00 0.00 H new ATOM 332 N GLU A 22 12.545 7.837 1.676 1.00 0.00 N ATOM 333 CA GLU A 22 12.598 6.523 2.380 1.00 0.00 C ATOM 334 C GLU A 22 11.643 6.529 3.577 1.00 0.00 C ATOM 335 O GLU A 22 11.783 7.317 4.492 1.00 0.00 O ATOM 336 CB GLU A 22 14.048 6.386 2.848 1.00 0.00 C ATOM 337 CG GLU A 22 14.411 4.904 2.966 1.00 0.00 C ATOM 338 CD GLU A 22 15.689 4.756 3.796 1.00 0.00 C ATOM 339 OE1 GLU A 22 15.690 5.205 4.930 1.00 0.00 O ATOM 340 OE2 GLU A 22 16.644 4.197 3.282 1.00 0.00 O ATOM 0 H GLU A 22 12.796 8.643 2.249 1.00 0.00 H new ATOM 0 HA GLU A 22 12.297 5.695 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.717 6.880 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.178 6.881 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.594 4.355 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.556 4.474 1.975 1.00 0.00 H new ATOM 347 N ASP A 23 10.670 5.658 3.577 1.00 0.00 N ATOM 348 CA ASP A 23 9.706 5.616 4.716 1.00 0.00 C ATOM 349 C ASP A 23 9.863 4.311 5.499 1.00 0.00 C ATOM 350 O ASP A 23 9.833 3.232 4.942 1.00 0.00 O ATOM 351 CB ASP A 23 8.324 5.687 4.067 1.00 0.00 C ATOM 352 CG ASP A 23 7.328 6.316 5.044 1.00 0.00 C ATOM 353 OD1 ASP A 23 7.494 6.119 6.237 1.00 0.00 O ATOM 354 OD2 ASP A 23 6.417 6.984 4.582 1.00 0.00 O ATOM 0 H ASP A 23 10.501 4.974 2.839 1.00 0.00 H new ATOM 0 HA ASP A 23 9.869 6.430 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.371 6.276 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.991 4.688 3.786 1.00 0.00 H new ATOM 359 N LYS A 24 10.031 4.403 6.789 1.00 0.00 N ATOM 360 CA LYS A 24 10.192 3.171 7.614 1.00 0.00 C ATOM 361 C LYS A 24 8.961 2.269 7.480 1.00 0.00 C ATOM 362 O LYS A 24 9.061 1.058 7.530 1.00 0.00 O ATOM 363 CB LYS A 24 10.328 3.680 9.049 1.00 0.00 C ATOM 364 CG LYS A 24 10.727 2.525 9.967 1.00 0.00 C ATOM 365 CD LYS A 24 9.992 2.657 11.302 1.00 0.00 C ATOM 366 CE LYS A 24 10.952 2.339 12.449 1.00 0.00 C ATOM 367 NZ LYS A 24 10.085 2.216 13.653 1.00 0.00 N ATOM 0 H LYS A 24 10.064 5.280 7.309 1.00 0.00 H new ATOM 0 HA LYS A 24 11.051 2.576 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.077 4.470 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.385 4.114 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.482 1.572 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.805 2.532 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.598 3.667 11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.140 1.978 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.500 1.416 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.692 3.129 12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.672 1.998 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.581 3.112 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.395 1.452 13.507 1.00 0.00 H new ATOM 381 N ASP A 25 7.800 2.845 7.315 1.00 0.00 N ATOM 382 CA ASP A 25 6.567 2.014 7.184 1.00 0.00 C ATOM 383 C ASP A 25 5.873 2.293 5.849 1.00 0.00 C ATOM 384 O ASP A 25 5.228 1.432 5.283 1.00 0.00 O ATOM 385 CB ASP A 25 5.676 2.443 8.351 1.00 0.00 C ATOM 386 CG ASP A 25 4.791 1.269 8.774 1.00 0.00 C ATOM 387 OD1 ASP A 25 4.158 0.689 7.908 1.00 0.00 O ATOM 388 OD2 ASP A 25 4.761 0.970 9.956 1.00 0.00 O ATOM 0 H ASP A 25 7.652 3.853 7.265 1.00 0.00 H new ATOM 0 HA ASP A 25 6.787 0.947 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.290 2.771 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.058 3.291 8.058 1.00 0.00 H new ATOM 393 N GLY A 26 5.994 3.489 5.343 1.00 0.00 N ATOM 394 CA GLY A 26 5.336 3.820 4.048 1.00 0.00 C ATOM 395 C GLY A 26 6.266 3.456 2.890 1.00 0.00 C ATOM 396 O GLY A 26 6.361 4.170 1.911 1.00 0.00 O ATOM 0 H GLY A 26 6.520 4.251 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.396 3.276 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.094 4.882 4.013 1.00 0.00 H new ATOM 400 N ASP A 27 6.959 2.354 2.994 1.00 0.00 N ATOM 401 CA ASP A 27 7.885 1.953 1.897 1.00 0.00 C ATOM 402 C ASP A 27 8.798 3.126 1.525 1.00 0.00 C ATOM 403 O ASP A 27 9.267 3.853 2.379 1.00 0.00 O ATOM 404 CB ASP A 27 6.973 1.588 0.724 1.00 0.00 C ATOM 405 CG ASP A 27 5.967 0.523 1.170 1.00 0.00 C ATOM 406 OD1 ASP A 27 5.025 0.877 1.859 1.00 0.00 O ATOM 407 OD2 ASP A 27 6.156 -0.629 0.814 1.00 0.00 O ATOM 0 H ASP A 27 6.924 1.716 3.789 1.00 0.00 H new ATOM 0 HA ASP A 27 8.532 1.124 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.447 2.474 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.567 1.215 -0.110 1.00 0.00 H new ATOM 412 N LYS A 28 9.053 3.320 0.261 1.00 0.00 N ATOM 413 CA LYS A 28 9.934 4.450 -0.152 1.00 0.00 C ATOM 414 C LYS A 28 9.630 4.855 -1.600 1.00 0.00 C ATOM 415 O LYS A 28 9.228 4.044 -2.409 1.00 0.00 O ATOM 416 CB LYS A 28 11.364 3.907 -0.010 1.00 0.00 C ATOM 417 CG LYS A 28 11.828 3.247 -1.313 1.00 0.00 C ATOM 418 CD LYS A 28 13.251 2.713 -1.139 1.00 0.00 C ATOM 419 CE LYS A 28 13.203 1.343 -0.458 1.00 0.00 C ATOM 420 NZ LYS A 28 14.626 0.997 -0.187 1.00 0.00 N ATOM 0 H LYS A 28 8.691 2.748 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 28 9.784 5.344 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.042 4.719 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.404 3.183 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.154 2.434 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.797 3.969 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.741 2.632 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.841 3.408 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.624 1.381 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.731 0.599 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.675 0.069 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.151 0.961 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.047 1.719 0.432 1.00 0.00 H new ATOM 434 N VAL A 29 9.832 6.098 -1.937 1.00 0.00 N ATOM 435 CA VAL A 29 9.567 6.532 -3.339 1.00 0.00 C ATOM 436 C VAL A 29 10.898 6.854 -4.024 1.00 0.00 C ATOM 437 O VAL A 29 11.840 7.287 -3.390 1.00 0.00 O ATOM 438 CB VAL A 29 8.662 7.776 -3.241 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.698 7.630 -2.060 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.508 9.037 -3.048 1.00 0.00 C ATOM 0 H VAL A 29 10.167 6.828 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 29 9.077 5.759 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 29 8.095 7.863 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.062 8.513 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.077 6.746 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.267 7.527 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.855 9.907 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.090 8.948 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.183 9.155 -3.895 1.00 0.00 H new ATOM 450 N VAL A 30 10.993 6.634 -5.304 1.00 0.00 N ATOM 451 CA VAL A 30 12.277 6.916 -6.003 1.00 0.00 C ATOM 452 C VAL A 30 12.042 7.807 -7.220 1.00 0.00 C ATOM 453 O VAL A 30 11.916 7.332 -8.332 1.00 0.00 O ATOM 454 CB VAL A 30 12.798 5.549 -6.437 1.00 0.00 C ATOM 455 CG1 VAL A 30 13.225 4.751 -5.204 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.689 4.793 -7.171 1.00 0.00 C ATOM 0 H VAL A 30 10.243 6.274 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 30 12.984 7.442 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 30 13.653 5.679 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.597 3.774 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.013 5.289 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.370 4.620 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.059 3.816 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.835 4.663 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.381 5.361 -8.049 1.00 0.00 H new ATOM 466 N ALA A 31 11.994 9.094 -7.022 1.00 0.00 N ATOM 467 CA ALA A 31 11.779 10.016 -8.173 1.00 0.00 C ATOM 468 C ALA A 31 10.726 9.450 -9.129 1.00 0.00 C ATOM 469 O ALA A 31 11.035 9.037 -10.228 1.00 0.00 O ATOM 470 CB ALA A 31 13.141 10.094 -8.864 1.00 0.00 C ATOM 0 H ALA A 31 12.094 9.548 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 31 11.417 10.994 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.074 10.756 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.882 10.483 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.440 9.099 -9.192 1.00 0.00 H new ATOM 476 N GLY A 32 9.482 9.421 -8.726 1.00 0.00 N ATOM 477 CA GLY A 32 8.435 8.876 -9.634 1.00 0.00 C ATOM 478 C GLY A 32 7.033 9.142 -9.071 1.00 0.00 C ATOM 479 O GLY A 32 6.087 8.462 -9.415 1.00 0.00 O ATOM 0 H GLY A 32 9.151 9.747 -7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.529 9.332 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.582 7.804 -9.764 1.00 0.00 H new ATOM 483 N ASP A 33 6.879 10.121 -8.220 1.00 0.00 N ATOM 484 CA ASP A 33 5.518 10.400 -7.667 1.00 0.00 C ATOM 485 C ASP A 33 4.774 11.373 -8.585 1.00 0.00 C ATOM 486 O ASP A 33 5.372 12.209 -9.231 1.00 0.00 O ATOM 487 CB ASP A 33 5.748 11.034 -6.292 1.00 0.00 C ATOM 488 CG ASP A 33 6.918 10.345 -5.586 1.00 0.00 C ATOM 489 OD1 ASP A 33 6.896 9.128 -5.496 1.00 0.00 O ATOM 490 OD2 ASP A 33 7.817 11.045 -5.149 1.00 0.00 O ATOM 0 H ASP A 33 7.624 10.733 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 33 4.916 9.495 -7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.956 12.098 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.846 10.947 -5.687 1.00 0.00 H new ATOM 495 N GLU A 34 3.472 11.272 -8.648 1.00 0.00 N ATOM 496 CA GLU A 34 2.698 12.198 -9.523 1.00 0.00 C ATOM 497 C GLU A 34 1.324 12.461 -8.910 1.00 0.00 C ATOM 498 O GLU A 34 0.626 11.546 -8.520 1.00 0.00 O ATOM 499 CB GLU A 34 2.557 11.466 -10.858 1.00 0.00 C ATOM 500 CG GLU A 34 2.120 12.459 -11.937 1.00 0.00 C ATOM 501 CD GLU A 34 1.877 11.711 -13.249 1.00 0.00 C ATOM 502 OE1 GLU A 34 2.186 10.532 -13.302 1.00 0.00 O ATOM 503 OE2 GLU A 34 1.385 12.330 -14.179 1.00 0.00 O ATOM 0 H GLU A 34 2.914 10.591 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 34 3.190 13.163 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.505 11.005 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.826 10.663 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.211 12.974 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.886 13.221 -12.077 1.00 0.00 H new ATOM 510 N TRP A 35 0.926 13.701 -8.814 1.00 0.00 N ATOM 511 CA TRP A 35 -0.405 13.990 -8.218 1.00 0.00 C ATOM 512 C TRP A 35 -0.997 15.284 -8.774 1.00 0.00 C ATOM 513 O TRP A 35 -0.327 16.069 -9.416 1.00 0.00 O ATOM 514 CB TRP A 35 -0.150 14.103 -6.713 1.00 0.00 C ATOM 515 CG TRP A 35 0.402 15.451 -6.365 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.308 16.457 -5.808 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.763 15.950 -6.522 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.530 17.539 -5.608 1.00 0.00 N ATOM 519 CE2 TRP A 35 1.817 17.276 -6.031 1.00 0.00 C ATOM 520 CE3 TRP A 35 2.944 15.387 -7.034 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.001 18.013 -6.046 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.136 16.126 -7.052 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.166 17.435 -6.558 1.00 0.00 C ATOM 0 H TRP A 35 1.459 14.516 -9.119 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.129 13.210 -8.453 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.079 13.934 -6.169 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.548 13.327 -6.399 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.358 16.422 -5.560 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.233 18.424 -5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.934 14.377 -7.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.017 19.023 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.037 15.682 -7.450 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.088 17.998 -6.572 1.00 0.00 H new ATOM 534 N LEU A 36 -2.257 15.507 -8.525 1.00 0.00 N ATOM 535 CA LEU A 36 -2.915 16.744 -9.027 1.00 0.00 C ATOM 536 C LEU A 36 -2.802 17.853 -7.981 1.00 0.00 C ATOM 537 O LEU A 36 -2.684 17.597 -6.798 1.00 0.00 O ATOM 538 CB LEU A 36 -4.375 16.349 -9.239 1.00 0.00 C ATOM 539 CG LEU A 36 -5.200 17.599 -9.542 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.956 18.033 -10.988 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.684 17.288 -9.345 1.00 0.00 C ATOM 0 H LEU A 36 -2.862 14.882 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.459 17.122 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.455 15.639 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.762 15.852 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.904 18.403 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.544 18.925 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.898 18.254 -11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.252 17.230 -11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.274 18.179 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.980 16.484 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.857 16.979 -8.314 1.00 0.00 H new ATOM 553 N PHE A 37 -2.840 19.084 -8.403 1.00 0.00 N ATOM 554 CA PHE A 37 -2.736 20.203 -7.427 1.00 0.00 C ATOM 555 C PHE A 37 -3.886 21.181 -7.647 1.00 0.00 C ATOM 556 O PHE A 37 -3.928 21.884 -8.634 1.00 0.00 O ATOM 557 CB PHE A 37 -1.394 20.870 -7.734 1.00 0.00 C ATOM 558 CG PHE A 37 -0.789 21.405 -6.457 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.618 21.781 -5.394 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.601 21.524 -6.337 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.057 22.276 -4.210 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.161 22.019 -5.153 1.00 0.00 C ATOM 563 CZ PHE A 37 0.333 22.395 -4.090 1.00 0.00 C ATOM 0 H PHE A 37 -2.938 19.364 -9.379 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.791 19.866 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.717 20.152 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.535 21.681 -8.449 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.690 21.689 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.241 21.234 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.697 22.566 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.233 22.111 -5.060 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.766 22.777 -3.177 1.00 0.00 H new ATOM 573 N GLU A 38 -4.821 21.226 -6.739 1.00 0.00 N ATOM 574 CA GLU A 38 -5.975 22.155 -6.900 1.00 0.00 C ATOM 575 C GLU A 38 -5.680 23.492 -6.220 1.00 0.00 C ATOM 576 O GLU A 38 -5.355 23.547 -5.050 1.00 0.00 O ATOM 577 CB GLU A 38 -7.145 21.450 -6.215 1.00 0.00 C ATOM 578 CG GLU A 38 -8.298 22.438 -6.027 1.00 0.00 C ATOM 579 CD GLU A 38 -8.092 23.218 -4.728 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.263 22.801 -3.935 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.767 24.217 -4.546 1.00 0.00 O ATOM 0 H GLU A 38 -4.836 20.659 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.186 22.375 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.474 20.601 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.830 21.055 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.345 23.124 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.248 21.904 -5.997 1.00 0.00 H new ATOM 588 N GLY A 39 -5.789 24.571 -6.943 1.00 0.00 N ATOM 589 CA GLY A 39 -5.517 25.902 -6.335 1.00 0.00 C ATOM 590 C GLY A 39 -4.061 25.976 -5.864 1.00 0.00 C ATOM 591 O GLY A 39 -3.788 26.448 -4.779 1.00 0.00 O ATOM 0 H GLY A 39 -6.054 24.589 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.713 26.690 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.189 26.071 -5.493 1.00 0.00 H new ATOM 595 N PRO A 40 -3.167 25.517 -6.701 1.00 0.00 N ATOM 596 CA PRO A 40 -1.720 25.548 -6.360 1.00 0.00 C ATOM 597 C PRO A 40 -1.222 26.997 -6.397 1.00 0.00 C ATOM 598 O PRO A 40 -0.319 27.345 -7.135 1.00 0.00 O ATOM 599 CB PRO A 40 -1.078 24.700 -7.457 1.00 0.00 C ATOM 600 CG PRO A 40 -2.032 24.768 -8.607 1.00 0.00 C ATOM 601 CD PRO A 40 -3.410 24.940 -8.026 1.00 0.00 C ATOM 0 HA PRO A 40 -1.486 25.169 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.098 25.089 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.931 23.672 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.784 25.601 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.977 23.860 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.023 25.598 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.935 23.988 -7.956 1.00 0.00 H new ATOM 609 N GLY A 41 -1.834 27.844 -5.613 1.00 0.00 N ATOM 610 CA GLY A 41 -1.455 29.282 -5.594 1.00 0.00 C ATOM 611 C GLY A 41 0.038 29.466 -5.331 1.00 0.00 C ATOM 612 O GLY A 41 0.574 30.541 -5.520 1.00 0.00 O ATOM 0 H GLY A 41 -2.591 27.594 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.716 29.740 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.027 29.800 -4.824 1.00 0.00 H new ATOM 616 N THR A 42 0.721 28.453 -4.889 1.00 0.00 N ATOM 617 CA THR A 42 2.172 28.630 -4.620 1.00 0.00 C ATOM 618 C THR A 42 2.977 27.439 -5.138 1.00 0.00 C ATOM 619 O THR A 42 4.027 27.119 -4.616 1.00 0.00 O ATOM 620 CB THR A 42 2.275 28.743 -3.100 1.00 0.00 C ATOM 621 OG1 THR A 42 1.612 27.640 -2.496 1.00 0.00 O ATOM 622 CG2 THR A 42 1.618 30.051 -2.651 1.00 0.00 C ATOM 0 H THR A 42 0.346 27.523 -4.704 1.00 0.00 H new ATOM 0 HA THR A 42 2.578 29.507 -5.125 1.00 0.00 H new ATOM 0 HB THR A 42 3.323 28.738 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.680 27.712 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.687 30.139 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.129 30.894 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.570 30.053 -2.949 1.00 0.00 H new ATOM 630 N TYR A 43 2.514 26.787 -6.169 1.00 0.00 N ATOM 631 CA TYR A 43 3.293 25.637 -6.703 1.00 0.00 C ATOM 632 C TYR A 43 4.370 26.145 -7.664 1.00 0.00 C ATOM 633 O TYR A 43 4.075 26.622 -8.742 1.00 0.00 O ATOM 634 CB TYR A 43 2.293 24.757 -7.453 1.00 0.00 C ATOM 635 CG TYR A 43 3.055 23.761 -8.296 1.00 0.00 C ATOM 636 CD1 TYR A 43 4.003 22.921 -7.697 1.00 0.00 C ATOM 637 CD2 TYR A 43 2.827 23.686 -9.675 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.721 22.007 -8.476 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.545 22.770 -10.454 1.00 0.00 C ATOM 640 CZ TYR A 43 4.492 21.930 -9.853 1.00 0.00 C ATOM 641 OH TYR A 43 5.202 21.027 -10.617 1.00 0.00 O ATOM 0 H TYR A 43 1.644 26.997 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 43 3.790 25.082 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.645 24.237 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.649 25.371 -8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.180 22.979 -6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.098 24.334 -10.138 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.452 21.361 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.369 22.711 -11.518 1.00 0.00 H new ATOM 0 HH TYR A 43 5.936 21.490 -11.072 1.00 0.00 H new ATOM 651 N ILE A 44 5.613 26.040 -7.290 1.00 0.00 N ATOM 652 CA ILE A 44 6.700 26.511 -8.195 1.00 0.00 C ATOM 653 C ILE A 44 7.357 25.298 -8.856 1.00 0.00 C ATOM 654 O ILE A 44 7.568 24.285 -8.219 1.00 0.00 O ATOM 655 CB ILE A 44 7.707 27.260 -7.308 1.00 0.00 C ATOM 656 CG1 ILE A 44 6.988 27.930 -6.129 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.407 28.337 -8.140 1.00 0.00 C ATOM 658 CD1 ILE A 44 5.769 28.698 -6.641 1.00 0.00 C ATOM 0 H ILE A 44 5.924 25.650 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 44 6.327 27.163 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 44 8.435 26.546 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.678 27.178 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.668 28.608 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.123 28.871 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.931 27.869 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.666 29.038 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.260 29.173 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.091 29.461 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.086 28.008 -7.137 1.00 0.00 H new ATOM 670 N PRO A 45 7.645 25.434 -10.119 1.00 0.00 N ATOM 671 CA PRO A 45 8.269 24.323 -10.877 1.00 0.00 C ATOM 672 C PRO A 45 9.712 24.097 -10.420 1.00 0.00 C ATOM 673 O PRO A 45 10.654 24.489 -11.080 1.00 0.00 O ATOM 674 CB PRO A 45 8.213 24.804 -12.326 1.00 0.00 C ATOM 675 CG PRO A 45 8.152 26.294 -12.234 1.00 0.00 C ATOM 676 CD PRO A 45 7.429 26.621 -10.953 1.00 0.00 C ATOM 0 HA PRO A 45 7.763 23.368 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.090 24.478 -12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.340 24.404 -12.842 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.154 26.723 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.627 26.713 -13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.832 27.519 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.368 26.801 -11.127 1.00 0.00 H new ATOM 684 N ARG A 46 9.890 23.463 -9.291 1.00 0.00 N ATOM 685 CA ARG A 46 11.269 23.203 -8.786 1.00 0.00 C ATOM 686 C ARG A 46 11.743 21.820 -9.238 1.00 0.00 C ATOM 687 O ARG A 46 10.957 20.904 -9.389 1.00 0.00 O ATOM 688 CB ARG A 46 11.148 23.252 -7.263 1.00 0.00 C ATOM 689 CG ARG A 46 11.075 24.708 -6.798 1.00 0.00 C ATOM 690 CD ARG A 46 10.090 24.824 -5.632 1.00 0.00 C ATOM 691 NE ARG A 46 10.621 25.933 -4.790 1.00 0.00 N ATOM 692 CZ ARG A 46 10.907 25.722 -3.535 1.00 0.00 C ATOM 693 NH1 ARG A 46 10.150 24.941 -2.816 1.00 0.00 N ATOM 694 NH2 ARG A 46 11.951 26.292 -3.000 1.00 0.00 N ATOM 0 H ARG A 46 9.138 23.114 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 46 11.991 23.928 -9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.257 22.712 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.004 22.756 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.062 25.052 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.757 25.348 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.083 25.044 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.033 23.893 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 46 10.761 26.858 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.334 24.495 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.374 24.776 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.543 26.902 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.175 26.127 -2.019 1.00 0.00 H new ATOM 708 N LYS A 47 13.019 21.658 -9.451 1.00 0.00 N ATOM 709 CA LYS A 47 13.537 20.331 -9.891 1.00 0.00 C ATOM 710 C LYS A 47 12.902 19.213 -9.064 1.00 0.00 C ATOM 711 O LYS A 47 12.652 18.130 -9.553 1.00 0.00 O ATOM 712 CB LYS A 47 15.042 20.385 -9.646 1.00 0.00 C ATOM 713 CG LYS A 47 15.760 19.833 -10.873 1.00 0.00 C ATOM 714 CD LYS A 47 17.216 19.520 -10.528 1.00 0.00 C ATOM 715 CE LYS A 47 17.980 19.172 -11.808 1.00 0.00 C ATOM 716 NZ LYS A 47 19.026 20.227 -11.929 1.00 0.00 N ATOM 0 H LYS A 47 13.725 22.385 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 47 13.303 20.127 -10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.357 21.411 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.302 19.802 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.258 18.931 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.718 20.557 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.677 20.378 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.264 18.688 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.426 18.179 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.319 19.170 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.593 20.057 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.572 21.160 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.644 20.200 -11.093 1.00 0.00 H new ATOM 730 N GLU A 48 12.640 19.475 -7.815 1.00 0.00 N ATOM 731 CA GLU A 48 12.016 18.434 -6.945 1.00 0.00 C ATOM 732 C GLU A 48 10.916 17.707 -7.723 1.00 0.00 C ATOM 733 O GLU A 48 10.867 16.495 -7.758 1.00 0.00 O ATOM 734 CB GLU A 48 11.421 19.211 -5.768 1.00 0.00 C ATOM 735 CG GLU A 48 12.349 19.103 -4.555 1.00 0.00 C ATOM 736 CD GLU A 48 13.791 19.384 -4.983 1.00 0.00 C ATOM 737 OE1 GLU A 48 14.070 20.516 -5.342 1.00 0.00 O ATOM 738 OE2 GLU A 48 14.590 18.463 -4.944 1.00 0.00 O ATOM 0 H GLU A 48 12.830 20.366 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 48 12.729 17.679 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.285 20.257 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.436 18.816 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.043 19.812 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.277 18.107 -4.117 1.00 0.00 H new ATOM 745 N VAL A 49 10.048 18.442 -8.366 1.00 0.00 N ATOM 746 CA VAL A 49 8.961 17.806 -9.167 1.00 0.00 C ATOM 747 C VAL A 49 8.832 18.538 -10.507 1.00 0.00 C ATOM 748 O VAL A 49 9.470 19.546 -10.734 1.00 0.00 O ATOM 749 CB VAL A 49 7.671 17.941 -8.332 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.997 17.856 -6.837 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.986 19.281 -8.622 1.00 0.00 C ATOM 0 H VAL A 49 10.045 19.462 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 49 9.164 16.757 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 49 7.000 17.126 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.078 17.953 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.463 16.895 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.682 18.660 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.077 19.362 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.661 20.098 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.732 19.338 -9.680 1.00 0.00 H new ATOM 761 N GLU A 50 8.015 18.047 -11.394 1.00 0.00 N ATOM 762 CA GLU A 50 7.860 18.728 -12.711 1.00 0.00 C ATOM 763 C GLU A 50 6.380 18.822 -13.088 1.00 0.00 C ATOM 764 O GLU A 50 5.661 17.845 -13.053 1.00 0.00 O ATOM 765 CB GLU A 50 8.610 17.840 -13.702 1.00 0.00 C ATOM 766 CG GLU A 50 10.099 18.188 -13.674 1.00 0.00 C ATOM 767 CD GLU A 50 10.876 17.179 -14.521 1.00 0.00 C ATOM 768 OE1 GLU A 50 10.345 16.752 -15.533 1.00 0.00 O ATOM 769 OE2 GLU A 50 11.988 16.851 -14.143 1.00 0.00 O ATOM 0 H GLU A 50 7.449 17.208 -11.267 1.00 0.00 H new ATOM 0 HA GLU A 50 8.248 19.746 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.466 16.790 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.212 17.981 -14.707 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.255 19.196 -14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.467 18.177 -12.648 1.00 0.00 H new ATOM 776 N VAL A 51 5.918 19.987 -13.456 1.00 0.00 N ATOM 777 CA VAL A 51 4.485 20.120 -13.841 1.00 0.00 C ATOM 778 C VAL A 51 4.166 19.105 -14.939 1.00 0.00 C ATOM 779 O VAL A 51 4.885 18.982 -15.910 1.00 0.00 O ATOM 780 CB VAL A 51 4.338 21.550 -14.369 1.00 0.00 C ATOM 781 CG1 VAL A 51 2.855 21.861 -14.586 1.00 0.00 C ATOM 782 CG2 VAL A 51 4.921 22.534 -13.351 1.00 0.00 C ATOM 0 H VAL A 51 6.467 20.845 -13.506 1.00 0.00 H new ATOM 0 HA VAL A 51 3.806 19.933 -13.009 1.00 0.00 H new ATOM 0 HB VAL A 51 4.874 21.646 -15.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.748 22.879 -14.962 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.439 21.161 -15.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.321 21.765 -13.641 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.816 23.552 -13.727 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.386 22.440 -12.406 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.977 22.312 -13.194 1.00 0.00 H new ATOM 792 N VAL A 52 3.105 18.364 -14.789 1.00 0.00 N ATOM 793 CA VAL A 52 2.764 17.347 -15.824 1.00 0.00 C ATOM 794 C VAL A 52 1.575 17.813 -16.666 1.00 0.00 C ATOM 795 O VAL A 52 1.652 17.883 -17.877 1.00 0.00 O ATOM 796 CB VAL A 52 2.403 16.084 -15.041 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.268 14.907 -16.004 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.504 15.772 -14.027 1.00 0.00 C ATOM 0 H VAL A 52 2.461 18.417 -13.999 1.00 0.00 H new ATOM 0 HA VAL A 52 3.590 17.177 -16.515 1.00 0.00 H new ATOM 0 HB VAL A 52 1.460 16.246 -14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.011 14.007 -15.445 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.484 15.119 -16.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.213 14.753 -16.525 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.242 14.871 -13.471 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.447 15.614 -14.551 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.609 16.608 -13.335 1.00 0.00 H new ATOM 808 N GLU A 53 0.475 18.128 -16.042 1.00 0.00 N ATOM 809 CA GLU A 53 -0.712 18.581 -16.819 1.00 0.00 C ATOM 810 C GLU A 53 -1.434 19.714 -16.086 1.00 0.00 C ATOM 811 O GLU A 53 -1.193 19.968 -14.923 1.00 0.00 O ATOM 812 CB GLU A 53 -1.622 17.353 -16.910 1.00 0.00 C ATOM 813 CG GLU A 53 -0.797 16.115 -17.264 1.00 0.00 C ATOM 814 CD GLU A 53 -0.306 16.225 -18.707 1.00 0.00 C ATOM 815 OE1 GLU A 53 -0.412 17.303 -19.268 1.00 0.00 O ATOM 816 OE2 GLU A 53 0.167 15.228 -19.229 1.00 0.00 O ATOM 0 H GLU A 53 0.346 18.092 -15.031 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.431 18.963 -17.801 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.135 17.199 -15.960 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.391 17.515 -17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.052 16.024 -16.586 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.400 15.216 -17.142 1.00 0.00 H new ATOM 823 N ILE A 54 -2.328 20.389 -16.755 1.00 0.00 N ATOM 824 CA ILE A 54 -3.082 21.497 -16.094 1.00 0.00 C ATOM 825 C ILE A 54 -4.571 21.343 -16.416 1.00 0.00 C ATOM 826 O ILE A 54 -4.939 20.935 -17.500 1.00 0.00 O ATOM 827 CB ILE A 54 -2.531 22.815 -16.667 1.00 0.00 C ATOM 828 CG1 ILE A 54 -1.146 22.603 -17.293 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.411 23.838 -15.536 1.00 0.00 C ATOM 830 CD1 ILE A 54 -0.147 22.203 -16.204 1.00 0.00 C ATOM 0 H ILE A 54 -2.571 20.223 -17.732 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.966 21.482 -15.010 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.214 23.172 -17.438 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.196 21.828 -18.058 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.815 23.517 -17.787 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.021 24.775 -15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.393 24.011 -15.096 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.733 23.458 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.836 22.053 -16.650 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.089 22.993 -15.455 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.476 21.278 -15.730 1.00 0.00 H new ATOM 842 N ILE A 55 -5.432 21.646 -15.485 1.00 0.00 N ATOM 843 CA ILE A 55 -6.891 21.488 -15.744 1.00 0.00 C ATOM 844 C ILE A 55 -7.689 22.640 -15.131 1.00 0.00 C ATOM 845 O ILE A 55 -7.295 23.225 -14.143 1.00 0.00 O ATOM 846 CB ILE A 55 -7.256 20.170 -15.064 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.613 19.694 -15.584 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.327 20.371 -13.547 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.125 18.562 -14.695 1.00 0.00 C ATOM 0 H ILE A 55 -5.190 21.995 -14.558 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.119 21.492 -16.810 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.495 19.422 -15.288 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.324 20.520 -15.587 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.520 19.350 -16.614 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.588 19.428 -13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.359 20.710 -13.179 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.085 21.118 -13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.092 18.220 -15.063 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.416 17.734 -14.715 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.232 18.923 -13.672 1.00 0.00 H new ATOM 861 N GLN A 56 -8.819 22.955 -15.704 1.00 0.00 N ATOM 862 CA GLN A 56 -9.657 24.059 -15.154 1.00 0.00 C ATOM 863 C GLN A 56 -10.851 23.480 -14.387 1.00 0.00 C ATOM 864 O GLN A 56 -11.018 22.281 -14.293 1.00 0.00 O ATOM 865 CB GLN A 56 -10.134 24.840 -16.378 1.00 0.00 C ATOM 866 CG GLN A 56 -9.156 25.980 -16.669 1.00 0.00 C ATOM 867 CD GLN A 56 -8.033 25.472 -17.576 1.00 0.00 C ATOM 868 OE1 GLN A 56 -8.233 25.278 -18.759 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.853 25.242 -17.069 1.00 0.00 N ATOM 0 H GLN A 56 -9.199 22.494 -16.531 1.00 0.00 H new ATOM 0 HA GLN A 56 -9.106 24.691 -14.457 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.204 24.178 -17.241 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.133 25.240 -16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.678 26.808 -17.149 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.740 26.363 -15.737 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.684 25.404 -16.076 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.100 24.900 -17.665 1.00 0.00 H new ATOM 878 N ALA A 57 -11.682 24.324 -13.836 1.00 0.00 N ATOM 879 CA ALA A 57 -12.864 23.823 -13.074 1.00 0.00 C ATOM 880 C ALA A 57 -14.136 23.938 -13.919 1.00 0.00 C ATOM 881 O ALA A 57 -14.310 24.884 -14.661 1.00 0.00 O ATOM 882 CB ALA A 57 -12.955 24.739 -11.854 1.00 0.00 C ATOM 0 H ALA A 57 -11.594 25.339 -13.880 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.762 22.773 -12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.802 24.439 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.036 24.663 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.092 25.769 -12.182 1.00 0.00 H new ATOM 888 N THR A 58 -15.031 22.988 -13.813 1.00 0.00 N ATOM 889 CA THR A 58 -16.286 23.065 -14.617 1.00 0.00 C ATOM 890 C THR A 58 -17.134 21.799 -14.451 1.00 0.00 C ATOM 891 O THR A 58 -17.460 21.143 -15.421 1.00 0.00 O ATOM 892 CB THR A 58 -15.818 23.184 -16.070 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.908 22.905 -16.936 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.690 22.183 -16.328 1.00 0.00 C ATOM 0 H THR A 58 -14.947 22.170 -13.210 1.00 0.00 H new ATOM 0 HA THR A 58 -16.907 23.903 -14.301 1.00 0.00 H new ATOM 0 HB THR A 58 -15.452 24.194 -16.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.097 21.943 -16.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.357 22.268 -17.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.855 22.395 -15.660 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.053 21.171 -16.146 1.00 0.00 H new ATOM 902 N ILE A 59 -17.513 21.443 -13.251 1.00 0.00 N ATOM 903 CA ILE A 59 -18.352 20.217 -13.101 1.00 0.00 C ATOM 904 C ILE A 59 -19.079 20.184 -11.741 1.00 0.00 C ATOM 905 O ILE A 59 -20.294 20.163 -11.699 1.00 0.00 O ATOM 906 CB ILE A 59 -17.372 19.044 -13.303 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.936 18.106 -14.372 1.00 0.00 C ATOM 908 CG2 ILE A 59 -17.142 18.256 -12.012 1.00 0.00 C ATOM 909 CD1 ILE A 59 -17.095 18.221 -15.644 1.00 0.00 C ATOM 0 H ILE A 59 -17.285 21.935 -12.387 1.00 0.00 H new ATOM 0 HA ILE A 59 -19.163 20.174 -13.828 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.412 19.457 -13.613 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.929 17.078 -14.010 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.974 18.362 -14.585 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -16.445 17.440 -12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -16.727 18.917 -11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -18.090 17.849 -11.661 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.496 17.553 -16.407 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -17.125 19.248 -16.009 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.064 17.944 -15.425 1.00 0.00 H new ATOM 921 N ILE A 60 -18.381 20.175 -10.631 1.00 0.00 N ATOM 922 CA ILE A 60 -19.111 20.140 -9.320 1.00 0.00 C ATOM 923 C ILE A 60 -19.420 21.568 -8.841 1.00 0.00 C ATOM 924 O ILE A 60 -19.714 22.441 -9.633 1.00 0.00 O ATOM 925 CB ILE A 60 -18.191 19.415 -8.324 1.00 0.00 C ATOM 926 CG1 ILE A 60 -17.436 18.285 -9.033 1.00 0.00 C ATOM 927 CG2 ILE A 60 -19.040 18.816 -7.199 1.00 0.00 C ATOM 928 CD1 ILE A 60 -16.807 17.348 -7.997 1.00 0.00 C ATOM 0 H ILE A 60 -17.363 20.190 -10.572 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.065 19.621 -9.413 1.00 0.00 H new ATOM 0 HB ILE A 60 -17.474 20.128 -7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -18.118 17.727 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.662 18.701 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -18.393 18.301 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -19.579 19.613 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -19.754 18.108 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -16.272 16.547 -8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.111 17.909 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.590 16.920 -7.371 1.00 0.00 H new ATOM 940 N ARG A 61 -19.366 21.812 -7.555 1.00 0.00 N ATOM 941 CA ARG A 61 -19.662 23.183 -7.039 1.00 0.00 C ATOM 942 C ARG A 61 -19.187 23.319 -5.588 1.00 0.00 C ATOM 943 O ARG A 61 -18.706 22.377 -4.991 1.00 0.00 O ATOM 944 CB ARG A 61 -21.183 23.328 -7.122 1.00 0.00 C ATOM 945 CG ARG A 61 -21.854 22.076 -6.551 1.00 0.00 C ATOM 946 CD ARG A 61 -22.800 21.484 -7.597 1.00 0.00 C ATOM 947 NE ARG A 61 -23.928 20.910 -6.814 1.00 0.00 N ATOM 948 CZ ARG A 61 -24.770 20.093 -7.386 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.342 19.228 -8.265 1.00 0.00 N ATOM 950 NH2 ARG A 61 -26.038 20.142 -7.083 1.00 0.00 N ATOM 0 H ARG A 61 -19.130 21.122 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 61 -19.151 23.955 -7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.504 24.209 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.488 23.475 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -21.099 21.341 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.407 22.327 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.150 22.249 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -22.302 20.718 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.043 21.155 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.351 19.191 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -24.999 18.589 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -26.373 20.820 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -26.694 19.503 -7.531 1.00 0.00 H new ATOM 964 N GLN A 62 -19.316 24.487 -5.016 1.00 0.00 N ATOM 965 CA GLN A 62 -18.870 24.684 -3.603 1.00 0.00 C ATOM 966 C GLN A 62 -19.780 23.903 -2.646 1.00 0.00 C ATOM 967 O GLN A 62 -19.360 23.462 -1.597 1.00 0.00 O ATOM 968 CB GLN A 62 -18.987 26.197 -3.362 1.00 0.00 C ATOM 969 CG GLN A 62 -19.173 26.482 -1.868 1.00 0.00 C ATOM 970 CD GLN A 62 -18.119 25.719 -1.063 1.00 0.00 C ATOM 971 OE1 GLN A 62 -18.363 25.324 0.059 1.00 0.00 O ATOM 972 NE2 GLN A 62 -16.947 25.495 -1.592 1.00 0.00 N ATOM 0 H GLN A 62 -19.711 25.314 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.856 24.324 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -18.092 26.701 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.831 26.598 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -19.086 27.552 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -20.173 26.183 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.741 25.826 -2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.237 24.989 -1.063 1.00 0.00 H new ATOM 981 N ASN A 63 -21.024 23.739 -2.998 1.00 0.00 N ATOM 982 CA ASN A 63 -21.961 22.996 -2.103 1.00 0.00 C ATOM 983 C ASN A 63 -21.607 21.506 -2.060 1.00 0.00 C ATOM 984 O ASN A 63 -21.383 20.941 -1.008 1.00 0.00 O ATOM 985 CB ASN A 63 -23.342 23.200 -2.726 1.00 0.00 C ATOM 986 CG ASN A 63 -23.635 24.697 -2.838 1.00 0.00 C ATOM 987 OD1 ASN A 63 -22.823 25.450 -3.337 1.00 0.00 O ATOM 988 ND2 ASN A 63 -24.767 25.164 -2.388 1.00 0.00 N ATOM 0 H ASN A 63 -21.434 24.086 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 63 -21.914 23.355 -1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -23.380 22.736 -3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.103 22.714 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -24.970 26.161 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.449 24.532 -1.969 1.00 0.00 H new ATOM 995 N GLN A 64 -21.565 20.864 -3.194 1.00 0.00 N ATOM 996 CA GLN A 64 -21.238 19.408 -3.219 1.00 0.00 C ATOM 997 C GLN A 64 -19.854 19.151 -2.616 1.00 0.00 C ATOM 998 O GLN A 64 -18.919 19.895 -2.832 1.00 0.00 O ATOM 999 CB GLN A 64 -21.256 19.027 -4.699 1.00 0.00 C ATOM 1000 CG GLN A 64 -21.045 17.517 -4.842 1.00 0.00 C ATOM 1001 CD GLN A 64 -22.277 16.776 -4.318 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -23.391 17.236 -4.479 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -22.127 15.638 -3.696 1.00 0.00 N ATOM 0 H GLN A 64 -21.743 21.284 -4.106 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.945 18.821 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.206 19.316 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.474 19.566 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.871 17.261 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -20.159 17.209 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -21.193 15.250 -3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -22.943 15.137 -3.346 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.722 18.088 -1.871 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.406 17.755 -1.258 1.00 0.00 C ATOM 1014 C ALA A 65 -18.012 16.330 -1.654 1.00 0.00 C ATOM 1015 O ALA A 65 -18.821 15.420 -1.610 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.631 17.855 0.251 1.00 0.00 C ATOM 0 H ALA A 65 -20.474 17.432 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.606 18.419 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.703 17.623 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.947 18.867 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.404 17.147 0.551 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.787 16.128 -2.056 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.367 14.759 -2.471 1.00 0.00 C ATOM 1024 C LEU A 66 -15.125 14.308 -1.699 1.00 0.00 C ATOM 1025 O LEU A 66 -14.070 14.904 -1.793 1.00 0.00 O ATOM 1026 CB LEU A 66 -16.051 14.885 -3.960 1.00 0.00 C ATOM 1027 CG LEU A 66 -17.330 14.677 -4.773 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -18.219 15.916 -4.656 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -16.961 14.450 -6.240 1.00 0.00 C ATOM 0 H LEU A 66 -16.064 16.845 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.140 14.018 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.629 15.868 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.301 14.148 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.869 13.810 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -19.130 15.766 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -18.478 16.081 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.684 16.785 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.869 14.301 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.424 15.320 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.327 13.567 -6.323 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.240 13.244 -0.950 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.064 12.735 -0.187 1.00 0.00 C ATOM 1043 C ARG A 67 -13.324 11.702 -1.038 1.00 0.00 C ATOM 1044 O ARG A 67 -13.918 10.784 -1.569 1.00 0.00 O ATOM 1045 CB ARG A 67 -14.652 12.084 1.065 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.116 13.170 2.034 1.00 0.00 C ATOM 1047 CD ARG A 67 -15.308 12.564 3.425 1.00 0.00 C ATOM 1048 NE ARG A 67 -14.648 13.521 4.356 1.00 0.00 N ATOM 1049 CZ ARG A 67 -15.337 14.490 4.889 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -16.066 15.264 4.132 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -15.300 14.686 6.179 1.00 0.00 N ATOM 0 H ARG A 67 -16.098 12.705 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.352 13.520 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.490 11.441 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.905 11.450 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.382 13.974 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.051 13.609 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.365 12.448 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.856 11.574 3.490 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.657 13.418 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.096 15.110 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.606 16.023 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.731 14.080 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.840 15.445 6.595 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.038 11.850 -1.194 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.282 10.880 -2.037 1.00 0.00 C ATOM 1067 C LEU A 68 -10.097 10.289 -1.263 1.00 0.00 C ATOM 1068 O LEU A 68 -9.564 10.902 -0.359 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.783 11.703 -3.229 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.863 12.688 -3.686 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -11.284 13.616 -4.755 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -13.046 11.916 -4.269 1.00 0.00 C ATOM 0 H LEU A 68 -11.480 12.595 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.902 10.038 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.880 12.246 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.516 11.039 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.200 13.278 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.051 14.318 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.441 14.168 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.947 13.025 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.814 12.618 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.710 11.325 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.459 11.253 -3.508 1.00 0.00 H new ATOM 1084 N ARG A 69 -9.682 9.103 -1.622 1.00 0.00 N ATOM 1085 CA ARG A 69 -8.529 8.464 -0.922 1.00 0.00 C ATOM 1086 C ARG A 69 -7.472 8.019 -1.940 1.00 0.00 C ATOM 1087 O ARG A 69 -7.759 7.826 -3.107 1.00 0.00 O ATOM 1088 CB ARG A 69 -9.123 7.257 -0.192 1.00 0.00 C ATOM 1089 CG ARG A 69 -7.997 6.434 0.439 1.00 0.00 C ATOM 1090 CD ARG A 69 -8.492 5.808 1.746 1.00 0.00 C ATOM 1091 NE ARG A 69 -9.403 4.706 1.324 1.00 0.00 N ATOM 1092 CZ ARG A 69 -9.719 3.764 2.170 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -8.803 2.942 2.604 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -10.953 3.643 2.581 1.00 0.00 N ATOM 0 H ARG A 69 -10.093 8.548 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.034 9.148 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.819 7.591 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.691 6.641 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.672 5.654 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.132 7.069 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.662 5.428 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.016 6.540 2.361 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.779 4.688 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.840 3.036 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.050 2.206 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.669 4.285 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.200 2.907 3.242 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.251 7.865 -1.507 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.166 7.447 -2.442 1.00 0.00 C ATOM 1110 C ALA A 70 -5.297 5.966 -2.813 1.00 0.00 C ATOM 1111 O ALA A 70 -5.620 5.133 -1.989 1.00 0.00 O ATOM 1112 CB ALA A 70 -3.870 7.684 -1.666 1.00 0.00 C ATOM 0 H ALA A 70 -5.956 8.011 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.203 8.004 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.018 7.401 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.792 8.739 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.875 7.082 -0.757 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.033 5.632 -4.049 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.124 4.207 -4.480 1.00 0.00 C ATOM 1120 C ARG A 71 -3.716 3.643 -4.689 1.00 0.00 C ATOM 1121 O ARG A 71 -3.434 2.507 -4.364 1.00 0.00 O ATOM 1122 CB ARG A 71 -5.894 4.235 -5.802 1.00 0.00 C ATOM 1123 CG ARG A 71 -6.377 2.823 -6.145 1.00 0.00 C ATOM 1124 CD ARG A 71 -7.627 2.497 -5.322 1.00 0.00 C ATOM 1125 NE ARG A 71 -7.566 1.027 -5.095 1.00 0.00 N ATOM 1126 CZ ARG A 71 -8.517 0.257 -5.550 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -8.721 0.161 -6.835 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -9.264 -0.416 -4.718 1.00 0.00 N ATOM 0 H ARG A 71 -4.757 6.287 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.620 3.578 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.744 4.912 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.255 4.615 -6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.601 2.752 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.591 2.097 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.631 3.042 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.535 2.777 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.782 0.622 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.137 0.688 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.464 -0.441 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.105 -0.340 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.007 -1.018 -5.072 1.00 0.00 H new ATOM 1142 N LYS A 72 -2.827 4.438 -5.223 1.00 0.00 N ATOM 1143 CA LYS A 72 -1.430 3.966 -5.450 1.00 0.00 C ATOM 1144 C LYS A 72 -0.526 4.442 -4.308 1.00 0.00 C ATOM 1145 O LYS A 72 -0.336 3.754 -3.327 1.00 0.00 O ATOM 1146 CB LYS A 72 -0.996 4.618 -6.766 1.00 0.00 C ATOM 1147 CG LYS A 72 -1.186 3.643 -7.928 1.00 0.00 C ATOM 1148 CD LYS A 72 -0.316 2.403 -7.706 1.00 0.00 C ATOM 1149 CE LYS A 72 0.275 1.944 -9.042 1.00 0.00 C ATOM 1150 NZ LYS A 72 1.089 0.741 -8.710 1.00 0.00 N ATOM 0 H LYS A 72 -3.010 5.399 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.365 2.879 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.579 5.522 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.049 4.920 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.234 3.355 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.917 4.125 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.484 2.629 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.911 1.603 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.510 1.704 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.889 2.725 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.527 0.368 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.832 1.001 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.477 0.012 -8.291 1.00 0.00 H new ATOM 1164 N GLU A 73 0.026 5.621 -4.443 1.00 0.00 N ATOM 1165 CA GLU A 73 0.927 6.186 -3.392 1.00 0.00 C ATOM 1166 C GLU A 73 1.711 7.357 -3.987 1.00 0.00 C ATOM 1167 O GLU A 73 1.961 8.353 -3.339 1.00 0.00 O ATOM 1168 CB GLU A 73 1.884 5.058 -2.991 1.00 0.00 C ATOM 1169 CG GLU A 73 2.441 4.372 -4.243 1.00 0.00 C ATOM 1170 CD GLU A 73 2.849 2.940 -3.898 1.00 0.00 C ATOM 1171 OE1 GLU A 73 1.972 2.093 -3.840 1.00 0.00 O ATOM 1172 OE2 GLU A 73 4.030 2.713 -3.699 1.00 0.00 O ATOM 0 H GLU A 73 -0.112 6.227 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 73 0.371 6.549 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.702 5.459 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.361 4.330 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.690 4.368 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.300 4.925 -4.623 1.00 0.00 H new ATOM 1179 N CYS A 74 2.095 7.237 -5.227 1.00 0.00 N ATOM 1180 CA CYS A 74 2.861 8.330 -5.889 1.00 0.00 C ATOM 1181 C CYS A 74 2.078 9.645 -5.822 1.00 0.00 C ATOM 1182 O CYS A 74 2.650 10.717 -5.792 1.00 0.00 O ATOM 1183 CB CYS A 74 3.015 7.874 -7.341 1.00 0.00 C ATOM 1184 SG CYS A 74 4.592 7.005 -7.538 1.00 0.00 S ATOM 0 H CYS A 74 1.910 6.424 -5.814 1.00 0.00 H new ATOM 0 HA CYS A 74 3.823 8.510 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.189 7.218 -7.617 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.976 8.734 -8.009 1.00 0.00 H new ATOM 0 HG CYS A 74 5.339 7.648 -8.386 1.00 0.00 H new ATOM 1190 N TRP A 75 0.776 9.574 -5.803 1.00 0.00 N ATOM 1191 CA TRP A 75 -0.033 10.825 -5.742 1.00 0.00 C ATOM 1192 C TRP A 75 -0.023 11.389 -4.318 1.00 0.00 C ATOM 1193 O TRP A 75 -0.696 10.893 -3.438 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.446 10.399 -6.155 1.00 0.00 C ATOM 1195 CG TRP A 75 -2.456 11.413 -5.706 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -2.859 12.476 -6.440 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.207 11.475 -4.457 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -3.790 13.195 -5.717 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -4.040 12.620 -4.490 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.245 10.665 -3.306 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.877 12.949 -3.426 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.089 10.995 -2.233 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -4.902 12.136 -2.292 1.00 0.00 C ATOM 0 H TRP A 75 0.238 8.708 -5.827 1.00 0.00 H new ATOM 0 HA TRP A 75 0.358 11.609 -6.391 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.495 10.284 -7.238 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.680 9.427 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -2.509 12.722 -7.432 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -4.238 14.048 -6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.622 9.785 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.503 13.828 -3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.112 10.365 -1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.546 12.385 -1.462 1.00 0.00 H new ATOM 1214 N ASP A 76 0.737 12.425 -4.087 1.00 0.00 N ATOM 1215 CA ASP A 76 0.786 13.024 -2.721 1.00 0.00 C ATOM 1216 C ASP A 76 -0.068 14.296 -2.672 1.00 0.00 C ATOM 1217 O ASP A 76 0.231 15.278 -3.320 1.00 0.00 O ATOM 1218 CB ASP A 76 2.259 13.359 -2.486 1.00 0.00 C ATOM 1219 CG ASP A 76 2.795 14.169 -3.669 1.00 0.00 C ATOM 1220 OD1 ASP A 76 2.523 15.358 -3.719 1.00 0.00 O ATOM 1221 OD2 ASP A 76 3.465 13.587 -4.505 1.00 0.00 O ATOM 0 H ASP A 76 1.325 12.882 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 76 0.396 12.348 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.371 13.927 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.837 12.442 -2.368 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.129 14.282 -1.914 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.999 15.492 -1.830 1.00 0.00 C ATOM 1228 C ARG A 77 -1.355 16.549 -0.927 1.00 0.00 C ATOM 1229 O ARG A 77 -1.652 17.725 -1.020 1.00 0.00 O ATOM 1230 CB ARG A 77 -3.322 14.990 -1.239 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.211 14.877 0.285 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.753 16.153 0.933 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.886 15.824 2.379 1.00 0.00 N ATOM 1234 CZ ARG A 77 -4.141 16.768 3.244 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.525 17.945 2.832 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -4.012 16.536 4.522 1.00 0.00 N ATOM 0 H ARG A 77 -1.432 13.488 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.147 15.965 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.129 15.674 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.574 14.019 -1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.771 14.011 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.171 14.723 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.075 16.992 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.713 16.437 0.503 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.778 14.860 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.626 18.128 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.724 18.682 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.712 15.617 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.211 17.274 5.197 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.473 16.140 -0.057 1.00 0.00 N ATOM 1251 CA ASP A 78 0.189 17.122 0.849 1.00 0.00 C ATOM 1252 C ASP A 78 1.533 17.563 0.261 1.00 0.00 C ATOM 1253 O ASP A 78 2.076 18.587 0.627 1.00 0.00 O ATOM 1254 CB ASP A 78 0.396 16.370 2.165 1.00 0.00 C ATOM 1255 CG ASP A 78 0.123 17.310 3.340 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.729 18.170 3.197 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.770 17.154 4.363 1.00 0.00 O ATOM 0 H ASP A 78 -0.182 15.170 0.066 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.406 18.025 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.271 15.509 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.415 15.988 2.221 1.00 0.00 H new ATOM 1262 N GLY A 79 2.073 16.801 -0.650 1.00 0.00 N ATOM 1263 CA GLY A 79 3.380 17.182 -1.257 1.00 0.00 C ATOM 1264 C GLY A 79 4.508 16.415 -0.569 1.00 0.00 C ATOM 1265 O GLY A 79 5.644 16.843 -0.554 1.00 0.00 O ATOM 0 H GLY A 79 1.667 15.933 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.375 16.961 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.541 18.255 -1.154 1.00 0.00 H new ATOM 1269 N LYS A 80 4.204 15.283 0.003 1.00 0.00 N ATOM 1270 CA LYS A 80 5.263 14.489 0.691 1.00 0.00 C ATOM 1271 C LYS A 80 5.112 13.004 0.353 1.00 0.00 C ATOM 1272 O LYS A 80 5.052 12.170 1.233 1.00 0.00 O ATOM 1273 CB LYS A 80 5.031 14.727 2.184 1.00 0.00 C ATOM 1274 CG LYS A 80 5.074 16.230 2.479 1.00 0.00 C ATOM 1275 CD LYS A 80 5.931 16.485 3.721 1.00 0.00 C ATOM 1276 CE LYS A 80 6.404 17.941 3.728 1.00 0.00 C ATOM 1277 NZ LYS A 80 5.923 18.499 5.024 1.00 0.00 N ATOM 0 H LYS A 80 3.270 14.873 0.024 1.00 0.00 H new ATOM 0 HA LYS A 80 6.266 14.784 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.067 14.315 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.793 14.210 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.485 16.767 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.064 16.609 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.355 16.275 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.789 15.813 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.489 18.003 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.992 18.494 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.210 19.496 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.886 18.433 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.337 17.958 5.810 1.00 0.00 H new ATOM 1291 N GLU A 81 5.050 12.684 -0.920 1.00 0.00 N ATOM 1292 CA GLU A 81 4.900 11.258 -1.366 1.00 0.00 C ATOM 1293 C GLU A 81 4.204 10.410 -0.297 1.00 0.00 C ATOM 1294 O GLU A 81 4.830 9.905 0.613 1.00 0.00 O ATOM 1295 CB GLU A 81 6.326 10.755 -1.612 1.00 0.00 C ATOM 1296 CG GLU A 81 7.249 11.220 -0.485 1.00 0.00 C ATOM 1297 CD GLU A 81 7.739 12.640 -0.776 1.00 0.00 C ATOM 1298 OE1 GLU A 81 7.565 13.088 -1.896 1.00 0.00 O ATOM 1299 OE2 GLU A 81 8.279 13.256 0.129 1.00 0.00 O ATOM 0 H GLU A 81 5.098 13.361 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 81 4.282 11.185 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.331 9.667 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.691 11.128 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.718 11.195 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.098 10.543 -0.394 1.00 0.00 H new ATOM 1306 N ARG A 82 2.913 10.252 -0.401 1.00 0.00 N ATOM 1307 CA ARG A 82 2.176 9.441 0.609 1.00 0.00 C ATOM 1308 C ARG A 82 1.820 8.070 0.029 1.00 0.00 C ATOM 1309 O ARG A 82 2.128 7.768 -1.105 1.00 0.00 O ATOM 1310 CB ARG A 82 0.909 10.240 0.908 1.00 0.00 C ATOM 1311 CG ARG A 82 1.017 10.869 2.298 1.00 0.00 C ATOM 1312 CD ARG A 82 2.277 11.734 2.375 1.00 0.00 C ATOM 1313 NE ARG A 82 2.355 12.170 3.796 1.00 0.00 N ATOM 1314 CZ ARG A 82 3.390 12.846 4.218 1.00 0.00 C ATOM 1315 NH1 ARG A 82 4.596 12.418 3.968 1.00 0.00 N ATOM 1316 NH2 ARG A 82 3.216 13.951 4.891 1.00 0.00 N ATOM 0 H ARG A 82 2.336 10.650 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 82 2.768 9.262 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.770 11.017 0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.036 9.589 0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.135 11.475 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.052 10.089 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.163 11.169 2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.211 12.589 1.702 1.00 0.00 H new ATOM 0 HE ARG A 82 1.599 11.941 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.732 11.554 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.403 12.947 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.273 14.286 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.023 14.480 5.221 1.00 0.00 H new ATOM 1330 N VAL A 83 1.175 7.238 0.799 1.00 0.00 N ATOM 1331 CA VAL A 83 0.801 5.888 0.287 1.00 0.00 C ATOM 1332 C VAL A 83 -0.688 5.852 -0.066 1.00 0.00 C ATOM 1333 O VAL A 83 -1.401 6.821 0.105 1.00 0.00 O ATOM 1334 CB VAL A 83 1.098 4.934 1.442 1.00 0.00 C ATOM 1335 CG1 VAL A 83 2.602 4.935 1.730 1.00 0.00 C ATOM 1336 CG2 VAL A 83 0.338 5.396 2.687 1.00 0.00 C ATOM 0 H VAL A 83 0.891 7.433 1.759 1.00 0.00 H new ATOM 0 HA VAL A 83 1.349 5.621 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 83 0.782 3.926 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.815 4.254 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.143 4.609 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.920 5.942 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.547 4.717 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.657 6.403 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.732 5.397 2.481 1.00 0.00 H new ATOM 1346 N THR A 84 -1.163 4.741 -0.559 1.00 0.00 N ATOM 1347 CA THR A 84 -2.605 4.643 -0.923 1.00 0.00 C ATOM 1348 C THR A 84 -3.481 4.910 0.307 1.00 0.00 C ATOM 1349 O THR A 84 -4.664 5.161 0.196 1.00 0.00 O ATOM 1350 CB THR A 84 -2.793 3.207 -1.415 1.00 0.00 C ATOM 1351 OG1 THR A 84 -4.177 2.952 -1.609 1.00 0.00 O ATOM 1352 CG2 THR A 84 -2.231 2.232 -0.380 1.00 0.00 C ATOM 0 H THR A 84 -0.615 3.897 -0.725 1.00 0.00 H new ATOM 0 HA THR A 84 -2.891 5.373 -1.680 1.00 0.00 H new ATOM 0 HB THR A 84 -2.264 3.074 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.640 3.793 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.366 1.209 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.169 2.428 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.757 2.362 0.566 1.00 0.00 H new ATOM 1360 N GLY A 85 -2.908 4.860 1.481 1.00 0.00 N ATOM 1361 CA GLY A 85 -3.707 5.111 2.715 1.00 0.00 C ATOM 1362 C GLY A 85 -4.006 6.606 2.829 1.00 0.00 C ATOM 1363 O GLY A 85 -5.086 7.006 3.218 1.00 0.00 O ATOM 0 H GLY A 85 -1.921 4.656 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.637 4.544 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.158 4.770 3.593 1.00 0.00 H new ATOM 1367 N GLU A 86 -3.059 7.435 2.491 1.00 0.00 N ATOM 1368 CA GLU A 86 -3.288 8.905 2.576 1.00 0.00 C ATOM 1369 C GLU A 86 -4.548 9.285 1.788 1.00 0.00 C ATOM 1370 O GLU A 86 -4.918 8.624 0.838 1.00 0.00 O ATOM 1371 CB GLU A 86 -2.041 9.535 1.948 1.00 0.00 C ATOM 1372 CG GLU A 86 -2.343 10.974 1.529 1.00 0.00 C ATOM 1373 CD GLU A 86 -2.701 11.799 2.765 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -2.211 11.472 3.833 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -3.459 12.745 2.624 1.00 0.00 O ATOM 0 H GLU A 86 -2.135 7.158 2.159 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.441 9.247 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.216 9.519 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.725 8.953 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.478 11.407 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.167 10.991 0.816 1.00 0.00 H new ATOM 1382 N GLU A 87 -5.213 10.340 2.178 1.00 0.00 N ATOM 1383 CA GLU A 87 -6.449 10.751 1.451 1.00 0.00 C ATOM 1384 C GLU A 87 -6.763 12.227 1.721 1.00 0.00 C ATOM 1385 O GLU A 87 -6.125 12.869 2.533 1.00 0.00 O ATOM 1386 CB GLU A 87 -7.553 9.859 2.022 1.00 0.00 C ATOM 1387 CG GLU A 87 -7.564 9.974 3.550 1.00 0.00 C ATOM 1388 CD GLU A 87 -8.591 9.000 4.131 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -9.303 8.387 3.353 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -8.648 8.886 5.344 1.00 0.00 O ATOM 0 H GLU A 87 -4.955 10.933 2.966 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.347 10.642 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.521 10.156 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.388 8.823 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.574 9.754 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.807 10.994 3.846 1.00 0.00 H new ATOM 1397 N TRP A 88 -7.749 12.766 1.054 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.113 14.195 1.280 1.00 0.00 C ATOM 1399 C TRP A 88 -9.538 14.464 0.771 1.00 0.00 C ATOM 1400 O TRP A 88 -10.078 13.713 -0.017 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.061 15.008 0.503 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.546 15.331 -0.878 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -7.771 14.426 -1.855 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.864 16.634 -1.446 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.207 15.088 -2.989 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.282 16.451 -2.786 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -7.831 17.943 -0.935 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.654 17.529 -3.590 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -8.206 19.031 -1.741 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -8.616 18.824 -3.065 1.00 0.00 C ATOM 0 H TRP A 88 -8.318 12.278 0.362 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.113 14.467 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.840 15.930 1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.131 14.443 0.443 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.633 13.359 -1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.444 14.626 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.515 18.114 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.969 17.364 -4.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.178 20.033 -1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.903 19.665 -3.680 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.147 15.524 1.223 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.535 15.839 0.773 1.00 0.00 C ATOM 1423 C LEU A 89 -11.525 17.052 -0.164 1.00 0.00 C ATOM 1424 O LEU A 89 -10.830 18.022 0.071 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.300 16.138 2.069 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.582 16.931 1.776 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.241 18.407 1.555 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.273 16.374 0.527 1.00 0.00 C ATOM 0 H LEU A 89 -9.745 16.188 1.885 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.994 15.025 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.552 15.204 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.664 16.705 2.749 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.255 16.838 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.154 18.964 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.766 18.809 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.559 18.500 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.181 16.944 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.601 16.454 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.530 15.327 0.690 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.285 17.005 -1.225 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.313 18.156 -2.175 1.00 0.00 C ATOM 1442 C VAL A 90 -13.647 18.904 -2.071 1.00 0.00 C ATOM 1443 O VAL A 90 -14.697 18.306 -1.929 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.159 17.532 -3.563 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -13.427 16.755 -3.919 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.936 18.640 -4.594 1.00 0.00 C ATOM 0 H VAL A 90 -12.887 16.221 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.526 18.880 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.306 16.853 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.316 16.311 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.589 15.967 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.281 17.433 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.826 18.199 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.790 19.317 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.033 19.195 -4.342 1.00 0.00 H new ATOM 1456 N THR A 91 -13.611 20.209 -2.145 1.00 0.00 N ATOM 1457 CA THR A 91 -14.873 20.998 -2.052 1.00 0.00 C ATOM 1458 C THR A 91 -14.687 22.375 -2.699 1.00 0.00 C ATOM 1459 O THR A 91 -15.000 23.392 -2.113 1.00 0.00 O ATOM 1460 CB THR A 91 -15.144 21.142 -0.554 1.00 0.00 C ATOM 1461 OG1 THR A 91 -16.334 21.893 -0.358 1.00 0.00 O ATOM 1462 CG2 THR A 91 -13.969 21.862 0.113 1.00 0.00 C ATOM 0 H THR A 91 -12.762 20.761 -2.266 1.00 0.00 H new ATOM 0 HA THR A 91 -15.700 20.513 -2.570 1.00 0.00 H new ATOM 0 HB THR A 91 -15.261 20.153 -0.110 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.238 22.774 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.163 21.964 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.057 21.285 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.849 22.851 -0.330 1.00 0.00 H new ATOM 1470 N THR A 92 -14.181 22.416 -3.901 1.00 0.00 N ATOM 1471 CA THR A 92 -13.974 23.729 -4.581 1.00 0.00 C ATOM 1472 C THR A 92 -15.316 24.286 -5.069 1.00 0.00 C ATOM 1473 O THR A 92 -16.271 23.558 -5.255 1.00 0.00 O ATOM 1474 CB THR A 92 -13.049 23.416 -5.763 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.708 23.344 -5.302 1.00 0.00 O ATOM 1476 CG2 THR A 92 -13.163 24.516 -6.822 1.00 0.00 C ATOM 0 H THR A 92 -13.902 21.598 -4.443 1.00 0.00 H new ATOM 0 HA THR A 92 -13.545 24.481 -3.919 1.00 0.00 H new ATOM 0 HB THR A 92 -13.341 22.463 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 92 -11.114 23.142 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.503 24.286 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.192 24.574 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.876 25.473 -6.385 1.00 0.00 H new ATOM 1484 N VAL A 93 -15.395 25.574 -5.276 1.00 0.00 N ATOM 1485 CA VAL A 93 -16.677 26.173 -5.749 1.00 0.00 C ATOM 1486 C VAL A 93 -16.856 25.918 -7.245 1.00 0.00 C ATOM 1487 O VAL A 93 -16.726 26.812 -8.058 1.00 0.00 O ATOM 1488 CB VAL A 93 -16.559 27.675 -5.476 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -17.958 28.293 -5.450 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -15.877 27.907 -4.124 1.00 0.00 C ATOM 0 H VAL A 93 -14.630 26.235 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 93 -17.538 25.739 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.963 28.139 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -17.880 29.363 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -18.444 28.133 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -18.548 27.824 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -15.796 28.978 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -16.468 27.444 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.881 27.465 -4.138 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.154 24.706 -7.613 1.00 0.00 N ATOM 1501 CA GLY A 94 -17.342 24.393 -9.055 1.00 0.00 C ATOM 1502 C GLY A 94 -15.994 24.029 -9.671 1.00 0.00 C ATOM 1503 O GLY A 94 -15.150 24.875 -9.881 1.00 0.00 O ATOM 0 H GLY A 94 -17.276 23.917 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.043 23.567 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.772 25.251 -9.572 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.784 22.775 -9.961 1.00 0.00 N ATOM 1508 CA ALA A 95 -14.487 22.360 -10.566 1.00 0.00 C ATOM 1509 C ALA A 95 -14.473 20.855 -10.812 1.00 0.00 C ATOM 1510 O ALA A 95 -15.343 20.140 -10.361 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.426 22.748 -9.537 1.00 0.00 C ATOM 0 H ALA A 95 -16.453 22.021 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.312 22.837 -11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.439 22.474 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.463 23.824 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.618 22.224 -8.601 1.00 0.00 H new ATOM 1517 N TYR A 96 -13.493 20.376 -11.531 1.00 0.00 N ATOM 1518 CA TYR A 96 -13.416 18.914 -11.824 1.00 0.00 C ATOM 1519 C TYR A 96 -12.018 18.383 -11.486 1.00 0.00 C ATOM 1520 O TYR A 96 -11.139 18.353 -12.324 1.00 0.00 O ATOM 1521 CB TYR A 96 -13.682 18.819 -13.328 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.888 17.380 -13.751 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -14.228 16.398 -12.811 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -13.740 17.033 -15.099 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -14.419 15.072 -13.223 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -13.932 15.708 -15.509 1.00 0.00 C ATOM 1527 CZ TYR A 96 -14.272 14.728 -14.571 1.00 0.00 C ATOM 1528 OH TYR A 96 -14.463 13.422 -14.976 1.00 0.00 O ATOM 0 H TYR A 96 -12.739 20.936 -11.930 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.124 18.325 -11.240 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.564 19.407 -13.583 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.844 19.247 -13.877 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.343 16.663 -11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -13.477 17.789 -15.824 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.680 14.315 -12.499 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.818 15.443 -16.550 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.323 13.356 -15.944 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.803 17.969 -10.266 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.456 17.448 -9.885 1.00 0.00 C ATOM 1540 C LEU A 97 -10.555 15.990 -9.429 1.00 0.00 C ATOM 1541 O LEU A 97 -10.679 15.714 -8.252 1.00 0.00 O ATOM 1542 CB LEU A 97 -9.999 18.336 -8.728 1.00 0.00 C ATOM 1543 CG LEU A 97 -10.153 19.806 -9.116 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -10.078 20.675 -7.859 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.027 20.200 -10.075 1.00 0.00 C ATOM 0 H LEU A 97 -12.498 17.968 -9.519 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.758 17.472 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.589 18.121 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.959 18.122 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.116 19.955 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.188 21.724 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.878 20.394 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.115 20.527 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.136 21.248 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.064 20.052 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.078 19.580 -10.970 1.00 0.00 H new ATOM 1557 N PRO A 98 -10.493 15.101 -10.382 1.00 0.00 N ATOM 1558 CA PRO A 98 -10.574 13.652 -10.082 1.00 0.00 C ATOM 1559 C PRO A 98 -9.221 13.126 -9.584 1.00 0.00 C ATOM 1560 O PRO A 98 -9.025 11.934 -9.447 1.00 0.00 O ATOM 1561 CB PRO A 98 -10.927 13.031 -11.428 1.00 0.00 C ATOM 1562 CG PRO A 98 -10.424 13.997 -12.458 1.00 0.00 C ATOM 1563 CD PRO A 98 -10.352 15.362 -11.817 1.00 0.00 C ATOM 0 HA PRO A 98 -11.297 13.418 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.459 12.054 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.003 12.882 -11.522 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.442 13.693 -12.819 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.089 14.015 -13.321 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.406 15.856 -12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.146 16.014 -12.182 1.00 0.00 H new ATOM 1571 N ALA A 99 -8.286 14.000 -9.318 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.950 13.543 -8.834 1.00 0.00 C ATOM 1573 C ALA A 99 -6.319 12.587 -9.855 1.00 0.00 C ATOM 1574 O ALA A 99 -6.852 12.372 -10.925 1.00 0.00 O ATOM 1575 CB ALA A 99 -7.228 12.827 -7.512 1.00 0.00 C ATOM 0 H ALA A 99 -8.390 15.010 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.250 14.368 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.291 12.461 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.692 13.522 -6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.900 11.987 -7.688 1.00 0.00 H new ATOM 1581 N VAL A 100 -5.184 12.019 -9.540 1.00 0.00 N ATOM 1582 CA VAL A 100 -4.524 11.088 -10.507 1.00 0.00 C ATOM 1583 C VAL A 100 -4.602 9.641 -10.000 1.00 0.00 C ATOM 1584 O VAL A 100 -5.100 8.763 -10.678 1.00 0.00 O ATOM 1585 CB VAL A 100 -3.066 11.563 -10.585 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -2.418 11.022 -11.862 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -3.023 13.097 -10.615 1.00 0.00 C ATOM 0 H VAL A 100 -4.687 12.158 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.007 11.099 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.525 11.197 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.383 11.360 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.444 9.932 -11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.965 11.388 -12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.987 13.431 -10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.568 13.459 -11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.483 13.492 -9.709 1.00 0.00 H new ATOM 1597 N PHE A 101 -4.121 9.385 -8.811 1.00 0.00 N ATOM 1598 CA PHE A 101 -4.175 7.993 -8.260 1.00 0.00 C ATOM 1599 C PHE A 101 -5.223 7.906 -7.151 1.00 0.00 C ATOM 1600 O PHE A 101 -5.292 6.935 -6.424 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.796 7.748 -7.652 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.759 7.589 -8.732 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.985 6.710 -9.793 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.563 8.316 -8.665 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -1.019 6.556 -10.789 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.404 8.164 -9.663 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.177 7.282 -10.726 1.00 0.00 C ATOM 0 H PHE A 101 -3.693 10.077 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.433 7.267 -9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.527 8.580 -7.002 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.821 6.853 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.907 6.149 -9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.388 8.994 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.194 5.876 -11.609 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.325 8.726 -9.614 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.924 7.161 -11.497 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.014 8.927 -6.990 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.027 8.918 -5.898 1.00 0.00 C ATOM 1619 C GLU A 102 -8.438 8.677 -6.441 1.00 0.00 C ATOM 1620 O GLU A 102 -8.744 8.984 -7.577 1.00 0.00 O ATOM 1621 CB GLU A 102 -6.914 10.308 -5.283 1.00 0.00 C ATOM 1622 CG GLU A 102 -8.107 10.573 -4.373 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.716 11.624 -3.338 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -7.407 12.732 -3.744 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -7.730 11.305 -2.161 1.00 0.00 O ATOM 0 H GLU A 102 -6.004 9.768 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.851 8.118 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.987 10.389 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.872 11.061 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.958 10.920 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.415 9.652 -3.877 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.301 8.129 -5.626 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.700 7.864 -6.074 1.00 0.00 C ATOM 1634 C GLU A 103 -11.694 8.394 -5.036 1.00 0.00 C ATOM 1635 O GLU A 103 -11.326 8.734 -3.930 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.798 6.342 -6.183 1.00 0.00 C ATOM 1637 CG GLU A 103 -10.700 5.721 -4.787 1.00 0.00 C ATOM 1638 CD GLU A 103 -11.866 4.755 -4.576 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -12.988 5.225 -4.469 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -11.619 3.561 -4.526 1.00 0.00 O ATOM 0 H GLU A 103 -9.096 7.853 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.934 8.356 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.741 6.061 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.999 5.960 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.752 5.194 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.719 6.503 -4.027 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.951 8.473 -5.383 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.961 8.986 -4.414 1.00 0.00 C ATOM 1649 C VAL A 104 -14.589 7.834 -3.627 1.00 0.00 C ATOM 1650 O VAL A 104 -14.813 6.760 -4.149 1.00 0.00 O ATOM 1651 CB VAL A 104 -15.010 9.684 -5.278 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.788 8.640 -6.081 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.972 10.459 -4.378 1.00 0.00 C ATOM 0 H VAL A 104 -13.321 8.205 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.520 9.658 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.518 10.373 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.536 9.138 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.101 8.087 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.282 7.950 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.722 10.958 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.465 9.769 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.417 11.203 -3.807 1.00 0.00 H new ATOM 1663 N LEU A 105 -14.871 8.052 -2.371 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.484 6.973 -1.543 1.00 0.00 C ATOM 1665 C LEU A 105 -16.972 7.263 -1.317 1.00 0.00 C ATOM 1666 O LEU A 105 -17.744 6.385 -0.988 1.00 0.00 O ATOM 1667 CB LEU A 105 -14.714 7.008 -0.220 1.00 0.00 C ATOM 1668 CG LEU A 105 -13.214 7.129 -0.502 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -12.695 8.459 0.049 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -12.471 5.975 0.176 1.00 0.00 C ATOM 0 H LEU A 105 -14.703 8.931 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.424 5.995 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.050 7.850 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.915 6.103 0.353 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.045 7.090 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.627 8.544 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.222 9.283 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -12.866 8.499 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.403 6.062 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.642 6.014 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.838 5.026 -0.215 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.380 8.492 -1.496 1.00 0.00 N ATOM 1683 CA ASP A 106 -18.818 8.841 -1.296 1.00 0.00 C ATOM 1684 C ASP A 106 -19.098 10.258 -1.808 1.00 0.00 C ATOM 1685 O ASP A 106 -18.213 10.944 -2.282 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.044 8.763 0.214 1.00 0.00 C ATOM 1687 CG ASP A 106 -17.928 9.518 0.937 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -16.844 8.969 1.046 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -18.176 10.631 1.369 1.00 0.00 O ATOM 0 H ASP A 106 -16.780 9.269 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.482 8.170 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.013 9.192 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.061 7.722 0.536 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.321 10.708 -1.707 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.649 12.089 -2.178 1.00 0.00 C ATOM 1696 C LEU A 107 -21.605 12.781 -1.198 1.00 0.00 C ATOM 1697 O LEU A 107 -22.502 12.169 -0.655 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.266 11.927 -3.586 1.00 0.00 C ATOM 1699 CG LEU A 107 -22.704 11.373 -3.547 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -22.775 10.111 -2.688 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -23.666 12.429 -2.996 1.00 0.00 C ATOM 0 H LEU A 107 -21.105 10.183 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.765 12.725 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.267 12.893 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.640 11.259 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 107 -22.997 11.119 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -23.799 9.737 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -22.116 9.349 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -22.461 10.345 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -24.678 12.024 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -23.364 12.705 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -23.642 13.312 -3.635 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.419 14.053 -0.960 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.323 14.767 -0.009 1.00 0.00 C ATOM 1715 C VAL A 108 -22.668 16.165 -0.533 1.00 0.00 C ATOM 1716 O VAL A 108 -21.811 17.011 -0.677 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.526 14.870 1.290 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.239 15.658 1.038 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.363 15.595 2.345 1.00 0.00 C ATOM 0 H VAL A 108 -20.686 14.625 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.268 14.241 0.125 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.279 13.869 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.670 15.732 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.640 15.146 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.488 16.659 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.795 15.669 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.609 16.596 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.282 15.038 2.526 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.919 16.419 -0.811 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.309 17.768 -1.315 1.00 0.00 C ATOM 1731 C ASP A 109 -24.580 18.711 -0.140 1.00 0.00 C ATOM 1732 O ASP A 109 -25.476 18.491 0.649 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.587 17.540 -2.124 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.955 18.826 -2.867 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.047 19.545 -3.252 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -27.138 19.071 -3.036 1.00 0.00 O ATOM 0 H ASP A 109 -24.685 15.753 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.524 18.225 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.441 16.726 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.401 17.244 -1.463 1.00 0.00 H new ATOM 1741 N ALA A 110 -23.814 19.762 -0.017 1.00 0.00 N ATOM 1742 CA ALA A 110 -24.034 20.712 1.111 1.00 0.00 C ATOM 1743 C ALA A 110 -25.370 21.439 0.939 1.00 0.00 C ATOM 1744 O ALA A 110 -25.912 21.517 -0.145 1.00 0.00 O ATOM 1745 CB ALA A 110 -22.870 21.701 1.037 1.00 0.00 C ATOM 0 H ALA A 110 -23.048 20.003 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 110 -24.072 20.203 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -22.964 22.434 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -21.928 21.163 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -22.888 22.212 0.074 1.00 0.00 H new ATOM 1751 N VAL A 111 -25.907 21.967 2.005 1.00 0.00 N ATOM 1752 CA VAL A 111 -27.209 22.684 1.907 1.00 0.00 C ATOM 1753 C VAL A 111 -27.050 23.971 1.093 1.00 0.00 C ATOM 1754 O VAL A 111 -26.198 24.072 0.231 1.00 0.00 O ATOM 1755 CB VAL A 111 -27.594 23.008 3.350 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -27.639 21.718 4.172 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -26.559 23.963 3.952 1.00 0.00 C ATOM 0 H VAL A 111 -25.500 21.933 2.940 1.00 0.00 H new ATOM 0 HA VAL A 111 -27.970 22.085 1.406 1.00 0.00 H new ATOM 0 HB VAL A 111 -28.576 23.480 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -27.914 21.951 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -28.377 21.040 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -26.658 21.243 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -26.833 24.195 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -25.576 23.492 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -26.530 24.883 3.368 1.00 0.00 H new ATOM 1767 N ILE A 112 -27.866 24.954 1.357 1.00 0.00 N ATOM 1768 CA ILE A 112 -27.766 26.233 0.595 1.00 0.00 C ATOM 1769 C ILE A 112 -27.047 27.297 1.430 1.00 0.00 C ATOM 1770 O ILE A 112 -27.058 27.261 2.644 1.00 0.00 O ATOM 1771 CB ILE A 112 -29.211 26.646 0.326 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -29.893 27.001 1.648 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -29.956 25.487 -0.338 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -31.158 27.813 1.369 1.00 0.00 C ATOM 0 H ILE A 112 -28.598 24.928 2.067 1.00 0.00 H new ATOM 0 HA ILE A 112 -27.196 26.120 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 112 -29.226 27.513 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -30.145 26.092 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -29.212 27.574 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -30.988 25.781 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -29.469 25.233 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -29.943 24.620 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -31.643 28.066 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -30.893 28.729 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -31.840 27.224 0.756 1.00 0.00 H new ATOM 1786 N LEU A 113 -26.423 28.245 0.785 1.00 0.00 N ATOM 1787 CA LEU A 113 -25.701 29.313 1.537 1.00 0.00 C ATOM 1788 C LEU A 113 -26.509 30.613 1.515 1.00 0.00 C ATOM 1789 O LEU A 113 -26.917 31.051 2.579 1.00 0.00 O ATOM 1790 CB LEU A 113 -24.377 29.489 0.790 1.00 0.00 C ATOM 1791 CG LEU A 113 -23.567 30.618 1.429 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -22.128 30.152 1.655 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -23.565 31.832 0.497 1.00 0.00 C ATOM 1794 OXT LEU A 113 -26.707 31.147 0.437 1.00 0.00 O ATOM 0 H LEU A 113 -26.382 28.327 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 113 -25.549 29.054 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -23.807 28.560 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -24.568 29.715 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 113 -24.016 30.889 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -21.552 30.958 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -22.126 29.286 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -21.679 29.880 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -22.988 32.638 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -23.116 31.557 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -24.589 32.167 0.333 1.00 0.00 H new TER 1806 LEU A 113