USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=15 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 USER MOD Single : A 3 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0389 K(o=-0.039,f=-0.94) USER MOD Single : A 10 ASN : amide:sc= -0.756 X(o=-0.76,f=-0.74) USER MOD Single : A 11 THR OG1 : rot 160:sc= -2.52! USER MOD Single : A 14 HIS : no HE2:sc= -8.14! C(o=-8.1!,f=-7.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0 (180deg=-1.01) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.0617 (180deg=0.0326) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 43 TYR OH : rot 15:sc= -0.265 USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= -0.051 (180deg=-0.419) USER MOD Single : A 56 GLN : amide:sc= -0.072 K(o=-0.072,f=-1.4) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00872 USER MOD Single : A 62 GLN : amide:sc= 0.125! C(o=0.12!,f=-6.2!) USER MOD Single : A 63 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.72) USER MOD Single : A 64 GLN : amide:sc= -14.5! C(o=-14!,f=-18!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 69:sc= -0.618 USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0612) USER MOD Single : A 84 THR OG1 : rot 154:sc= -1.2! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.042 33.012 -17.555 1.00 0.00 N ATOM 2 CA GLY A 1 10.907 32.763 -16.367 1.00 0.00 C ATOM 3 C GLY A 1 10.405 31.526 -15.617 1.00 0.00 C ATOM 4 O GLY A 1 9.941 31.614 -14.498 1.00 0.00 O ATOM 0 H1 GLY A 1 10.384 33.852 -18.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.075 32.187 -18.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.062 33.170 -17.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.940 32.616 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.895 33.631 -15.707 1.00 0.00 H new ATOM 10 N SER A 2 10.494 30.375 -16.224 1.00 0.00 N ATOM 11 CA SER A 2 10.020 29.135 -15.543 1.00 0.00 C ATOM 12 C SER A 2 8.505 29.199 -15.331 1.00 0.00 C ATOM 13 O SER A 2 7.945 30.253 -15.109 1.00 0.00 O ATOM 14 CB SER A 2 10.747 29.115 -14.201 1.00 0.00 C ATOM 15 OG SER A 2 11.077 27.773 -13.868 1.00 0.00 O ATOM 0 H SER A 2 10.874 30.238 -17.161 1.00 0.00 H new ATOM 0 HA SER A 2 10.224 28.238 -16.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.651 29.722 -14.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.116 29.550 -13.426 1.00 0.00 H new ATOM 0 HG SER A 2 11.546 27.755 -13.008 1.00 0.00 H new ATOM 21 N HIS A 3 7.836 28.080 -15.400 1.00 0.00 N ATOM 22 CA HIS A 3 6.358 28.086 -15.203 1.00 0.00 C ATOM 23 C HIS A 3 6.008 28.666 -13.830 1.00 0.00 C ATOM 24 O HIS A 3 6.111 28.000 -12.819 1.00 0.00 O ATOM 25 CB HIS A 3 5.942 26.618 -15.285 1.00 0.00 C ATOM 26 CG HIS A 3 6.370 26.047 -16.608 1.00 0.00 C ATOM 27 ND1 HIS A 3 6.029 26.640 -17.815 1.00 0.00 N ATOM 28 CD2 HIS A 3 7.110 24.937 -16.932 1.00 0.00 C ATOM 29 CE1 HIS A 3 6.558 25.890 -18.799 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.227 24.839 -18.316 1.00 0.00 N ATOM 0 H HIS A 3 8.247 27.165 -15.584 1.00 0.00 H new ATOM 0 HA HIS A 3 5.846 28.698 -15.946 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.396 26.055 -14.470 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.862 26.529 -15.171 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.537 24.245 -16.221 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.454 26.111 -19.851 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.718 24.120 -18.847 1.00 0.00 H new ATOM 38 N MET A 4 5.594 29.903 -13.785 1.00 0.00 N ATOM 39 CA MET A 4 5.238 30.521 -12.477 1.00 0.00 C ATOM 40 C MET A 4 3.877 31.213 -12.574 1.00 0.00 C ATOM 41 O MET A 4 3.486 31.687 -13.623 1.00 0.00 O ATOM 42 CB MET A 4 6.341 31.545 -12.207 1.00 0.00 C ATOM 43 CG MET A 4 6.028 32.296 -10.911 1.00 0.00 C ATOM 44 SD MET A 4 7.472 33.265 -10.409 1.00 0.00 S ATOM 45 CE MET A 4 6.569 34.614 -9.610 1.00 0.00 C ATOM 0 H MET A 4 5.487 30.511 -14.597 1.00 0.00 H new ATOM 0 HA MET A 4 5.164 29.783 -11.679 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.306 31.044 -12.127 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.414 32.246 -13.039 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.170 32.952 -11.057 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.760 31.590 -10.125 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.277 35.344 -9.219 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.916 35.096 -10.338 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.969 34.216 -8.792 1.00 0.00 H new ATOM 55 N GLN A 5 3.150 31.275 -11.492 1.00 0.00 N ATOM 56 CA GLN A 5 1.815 31.938 -11.536 1.00 0.00 C ATOM 57 C GLN A 5 1.185 31.961 -10.142 1.00 0.00 C ATOM 58 O GLN A 5 1.312 31.024 -9.378 1.00 0.00 O ATOM 59 CB GLN A 5 0.981 31.080 -12.489 1.00 0.00 C ATOM 60 CG GLN A 5 0.869 29.661 -11.930 1.00 0.00 C ATOM 61 CD GLN A 5 0.297 28.732 -13.004 1.00 0.00 C ATOM 62 OE1 GLN A 5 0.645 28.838 -14.164 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.571 27.820 -12.664 1.00 0.00 N ATOM 0 H GLN A 5 3.420 30.898 -10.584 1.00 0.00 H new ATOM 0 HA GLN A 5 1.880 32.974 -11.868 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.012 31.514 -12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.444 31.058 -13.476 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.849 29.306 -11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.226 29.655 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.863 27.731 -11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.958 27.195 -13.371 1.00 0.00 H new ATOM 72 N VAL A 6 0.505 33.023 -9.805 1.00 0.00 N ATOM 73 CA VAL A 6 -0.134 33.102 -8.461 1.00 0.00 C ATOM 74 C VAL A 6 -1.256 32.067 -8.351 1.00 0.00 C ATOM 75 O VAL A 6 -1.213 31.021 -8.969 1.00 0.00 O ATOM 76 CB VAL A 6 -0.702 34.518 -8.371 1.00 0.00 C ATOM 77 CG1 VAL A 6 0.381 35.530 -8.746 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.884 34.655 -9.334 1.00 0.00 C ATOM 0 H VAL A 6 0.365 33.838 -10.402 1.00 0.00 H new ATOM 0 HA VAL A 6 0.572 32.896 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.038 34.709 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.026 36.539 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.223 35.433 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.720 35.340 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.290 35.665 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.548 34.463 -10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.657 33.936 -9.065 1.00 0.00 H new ATOM 88 N VAL A 7 -2.261 32.350 -7.568 1.00 0.00 N ATOM 89 CA VAL A 7 -3.384 31.381 -7.419 1.00 0.00 C ATOM 90 C VAL A 7 -4.384 31.551 -8.566 1.00 0.00 C ATOM 91 O VAL A 7 -4.632 32.646 -9.030 1.00 0.00 O ATOM 92 CB VAL A 7 -4.036 31.733 -6.080 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.936 30.580 -5.631 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.950 31.965 -5.027 1.00 0.00 C ATOM 0 H VAL A 7 -2.353 33.209 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.044 30.346 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.632 32.638 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.400 30.831 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.711 30.411 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.339 29.675 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.415 32.216 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.354 31.059 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.306 32.786 -5.343 1.00 0.00 H new ATOM 104 N LEU A 8 -4.967 30.475 -9.022 1.00 0.00 N ATOM 105 CA LEU A 8 -5.957 30.576 -10.134 1.00 0.00 C ATOM 106 C LEU A 8 -7.376 30.522 -9.562 1.00 0.00 C ATOM 107 O LEU A 8 -7.562 30.209 -8.403 1.00 0.00 O ATOM 108 CB LEU A 8 -5.688 29.356 -11.026 1.00 0.00 C ATOM 109 CG LEU A 8 -4.183 29.183 -11.285 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.481 30.543 -11.332 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.574 28.334 -10.170 1.00 0.00 C ATOM 0 H LEU A 8 -4.801 29.531 -8.673 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.865 31.508 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.084 28.459 -10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.213 29.472 -11.974 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.047 28.689 -12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.417 30.397 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.909 31.146 -12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.617 31.056 -10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.506 28.209 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.725 28.830 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.056 27.357 -10.152 1.00 0.00 H new ATOM 123 N PRO A 9 -8.338 30.828 -10.393 1.00 0.00 N ATOM 124 CA PRO A 9 -9.750 30.810 -9.948 1.00 0.00 C ATOM 125 C PRO A 9 -10.223 29.374 -9.703 1.00 0.00 C ATOM 126 O PRO A 9 -11.055 28.850 -10.416 1.00 0.00 O ATOM 127 CB PRO A 9 -10.502 31.457 -11.109 1.00 0.00 C ATOM 128 CG PRO A 9 -9.630 31.240 -12.301 1.00 0.00 C ATOM 129 CD PRO A 9 -8.208 31.216 -11.803 1.00 0.00 C ATOM 0 HA PRO A 9 -9.909 31.335 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.482 31.000 -11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.668 32.519 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.881 30.303 -12.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.770 32.036 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.601 30.502 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.731 32.190 -11.908 1.00 0.00 H new ATOM 137 N ASN A 10 -9.703 28.745 -8.683 1.00 0.00 N ATOM 138 CA ASN A 10 -10.119 27.350 -8.357 1.00 0.00 C ATOM 139 C ASN A 10 -9.634 26.364 -9.422 1.00 0.00 C ATOM 140 O ASN A 10 -10.414 25.806 -10.166 1.00 0.00 O ATOM 141 CB ASN A 10 -11.649 27.383 -8.311 1.00 0.00 C ATOM 142 CG ASN A 10 -12.114 28.651 -7.591 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.936 29.388 -8.101 1.00 0.00 O ATOM 144 ND2 ASN A 10 -11.618 28.937 -6.418 1.00 0.00 N ATOM 0 H ASN A 10 -9.002 29.141 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.688 27.017 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.054 27.358 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.026 26.500 -7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.920 29.779 -5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.929 28.318 -5.991 1.00 0.00 H new ATOM 151 N THR A 11 -8.352 26.130 -9.488 1.00 0.00 N ATOM 152 CA THR A 11 -7.823 25.159 -10.490 1.00 0.00 C ATOM 153 C THR A 11 -6.727 24.301 -9.856 1.00 0.00 C ATOM 154 O THR A 11 -6.141 24.667 -8.856 1.00 0.00 O ATOM 155 CB THR A 11 -7.245 26.006 -11.627 1.00 0.00 C ATOM 156 OG1 THR A 11 -5.970 26.504 -11.245 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.185 27.175 -11.931 1.00 0.00 C ATOM 0 H THR A 11 -7.648 26.568 -8.893 1.00 0.00 H new ATOM 0 HA THR A 11 -8.599 24.484 -10.850 1.00 0.00 H new ATOM 0 HB THR A 11 -7.141 25.390 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.466 26.762 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.770 27.775 -12.741 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.160 26.790 -12.228 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.296 27.794 -11.041 1.00 0.00 H new ATOM 165 N ALA A 12 -6.441 23.163 -10.428 1.00 0.00 N ATOM 166 CA ALA A 12 -5.377 22.288 -9.851 1.00 0.00 C ATOM 167 C ALA A 12 -4.524 21.682 -10.967 1.00 0.00 C ATOM 168 O ALA A 12 -4.963 21.548 -12.091 1.00 0.00 O ATOM 169 CB ALA A 12 -6.125 21.188 -9.096 1.00 0.00 C ATOM 0 H ALA A 12 -6.895 22.801 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.702 22.843 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.407 20.504 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.741 21.636 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.761 20.639 -9.790 1.00 0.00 H new ATOM 175 N LEU A 13 -3.309 21.312 -10.667 1.00 0.00 N ATOM 176 CA LEU A 13 -2.436 20.714 -11.717 1.00 0.00 C ATOM 177 C LEU A 13 -1.802 19.417 -11.215 1.00 0.00 C ATOM 178 O LEU A 13 -1.671 19.194 -10.029 1.00 0.00 O ATOM 179 CB LEU A 13 -1.348 21.756 -12.035 1.00 0.00 C ATOM 180 CG LEU A 13 -1.007 22.605 -10.802 1.00 0.00 C ATOM 181 CD1 LEU A 13 -0.170 21.792 -9.812 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.192 23.820 -11.246 1.00 0.00 C ATOM 0 H LEU A 13 -2.884 21.397 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.014 20.467 -12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.450 21.250 -12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.688 22.405 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.933 22.918 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.064 22.407 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.733 20.914 -9.495 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.756 21.475 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.055 24.430 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.727 23.486 -11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.776 24.412 -11.950 1.00 0.00 H new ATOM 194 N HIS A 14 -1.413 18.561 -12.118 1.00 0.00 N ATOM 195 CA HIS A 14 -0.778 17.277 -11.705 1.00 0.00 C ATOM 196 C HIS A 14 0.745 17.441 -11.698 1.00 0.00 C ATOM 197 O HIS A 14 1.332 17.891 -12.662 1.00 0.00 O ATOM 198 CB HIS A 14 -1.197 16.260 -12.767 1.00 0.00 C ATOM 199 CG HIS A 14 -2.694 16.115 -12.767 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.320 14.932 -13.119 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.701 16.997 -12.465 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.646 15.130 -13.020 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.934 16.372 -12.626 1.00 0.00 N ATOM 0 H HIS A 14 -1.507 18.694 -13.125 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.082 16.964 -10.706 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.853 16.583 -13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.729 15.296 -12.567 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.859 14.067 -13.402 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.558 18.020 -12.150 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.388 14.375 -13.234 1.00 0.00 H new ATOM 211 N LEU A 15 1.390 17.091 -10.621 1.00 0.00 N ATOM 212 CA LEU A 15 2.873 17.238 -10.564 1.00 0.00 C ATOM 213 C LEU A 15 3.524 15.885 -10.290 1.00 0.00 C ATOM 214 O LEU A 15 2.938 15.016 -9.675 1.00 0.00 O ATOM 215 CB LEU A 15 3.163 18.189 -9.397 1.00 0.00 C ATOM 216 CG LEU A 15 2.145 19.334 -9.351 1.00 0.00 C ATOM 217 CD1 LEU A 15 1.852 19.845 -10.765 1.00 0.00 C ATOM 218 CD2 LEU A 15 0.850 18.841 -8.701 1.00 0.00 C ATOM 0 H LEU A 15 0.957 16.710 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 15 3.268 17.619 -11.506 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.135 17.636 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.169 18.597 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 15 2.560 20.152 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.127 20.658 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.774 20.208 -11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.446 19.033 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.126 19.655 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.441 18.016 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.059 18.500 -7.687 1.00 0.00 H new ATOM 230 N LYS A 16 4.740 15.704 -10.721 1.00 0.00 N ATOM 231 CA LYS A 16 5.428 14.413 -10.459 1.00 0.00 C ATOM 232 C LYS A 16 6.551 14.633 -9.444 1.00 0.00 C ATOM 233 O LYS A 16 7.493 15.356 -9.695 1.00 0.00 O ATOM 234 CB LYS A 16 5.997 13.980 -11.808 1.00 0.00 C ATOM 235 CG LYS A 16 5.775 12.479 -12.000 1.00 0.00 C ATOM 236 CD LYS A 16 6.986 11.873 -12.710 1.00 0.00 C ATOM 237 CE LYS A 16 6.922 10.347 -12.619 1.00 0.00 C ATOM 238 NZ LYS A 16 6.087 9.927 -13.778 1.00 0.00 N ATOM 0 H LYS A 16 5.285 16.392 -11.241 1.00 0.00 H new ATOM 0 HA LYS A 16 4.760 13.656 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.515 14.535 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.061 14.210 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.626 11.996 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.872 12.306 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.002 12.185 -13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.907 12.237 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.918 9.906 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.479 10.026 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.997 8.891 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.143 10.356 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.537 10.240 -14.662 1.00 0.00 H new ATOM 252 N ALA A 17 6.453 14.024 -8.298 1.00 0.00 N ATOM 253 CA ALA A 17 7.509 14.209 -7.267 1.00 0.00 C ATOM 254 C ALA A 17 8.747 13.391 -7.620 1.00 0.00 C ATOM 255 O ALA A 17 8.713 12.173 -7.657 1.00 0.00 O ATOM 256 CB ALA A 17 6.882 13.712 -5.963 1.00 0.00 C ATOM 0 H ALA A 17 5.687 13.406 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 17 7.833 15.247 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.601 13.816 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.993 14.302 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.604 12.663 -6.070 1.00 0.00 H new ATOM 262 N LEU A 18 9.843 14.053 -7.875 1.00 0.00 N ATOM 263 CA LEU A 18 11.092 13.319 -8.218 1.00 0.00 C ATOM 264 C LEU A 18 12.022 13.298 -7.002 1.00 0.00 C ATOM 265 O LEU A 18 12.705 14.262 -6.716 1.00 0.00 O ATOM 266 CB LEU A 18 11.719 14.125 -9.358 1.00 0.00 C ATOM 267 CG LEU A 18 11.624 13.332 -10.664 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.486 12.072 -10.563 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.168 12.934 -10.913 1.00 0.00 C ATOM 0 H LEU A 18 9.926 15.069 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 18 10.909 12.284 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.207 15.082 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.762 14.345 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 18 11.980 13.949 -11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.417 11.509 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.524 12.354 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.132 11.454 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.099 12.369 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.813 12.318 -10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.553 13.831 -10.987 1.00 0.00 H new ATOM 281 N LEU A 19 12.045 12.213 -6.276 1.00 0.00 N ATOM 282 CA LEU A 19 12.923 12.145 -5.075 1.00 0.00 C ATOM 283 C LEU A 19 13.028 10.705 -4.560 1.00 0.00 C ATOM 284 O LEU A 19 12.086 9.941 -4.636 1.00 0.00 O ATOM 285 CB LEU A 19 12.213 13.021 -4.039 1.00 0.00 C ATOM 286 CG LEU A 19 13.239 13.815 -3.229 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.335 12.878 -2.722 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.861 14.896 -4.116 1.00 0.00 C ATOM 0 H LEU A 19 11.496 11.374 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 19 13.939 12.477 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.526 13.704 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.616 12.398 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 19 12.743 14.281 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.063 13.448 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.892 12.110 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.832 12.407 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.593 15.463 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.354 14.428 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.080 15.568 -4.472 1.00 0.00 H new ATOM 300 N ASP A 20 14.153 10.339 -4.009 1.00 0.00 N ATOM 301 CA ASP A 20 14.298 8.965 -3.453 1.00 0.00 C ATOM 302 C ASP A 20 13.757 8.974 -2.021 1.00 0.00 C ATOM 303 O ASP A 20 14.321 9.598 -1.145 1.00 0.00 O ATOM 304 CB ASP A 20 15.800 8.680 -3.464 1.00 0.00 C ATOM 305 CG ASP A 20 16.039 7.197 -3.179 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.459 6.381 -3.876 1.00 0.00 O ATOM 307 OD2 ASP A 20 16.793 6.904 -2.266 1.00 0.00 O ATOM 0 H ASP A 20 14.978 10.933 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 20 13.756 8.208 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.225 8.949 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.303 9.291 -2.714 1.00 0.00 H new ATOM 312 N PHE A 21 12.650 8.327 -1.781 1.00 0.00 N ATOM 313 CA PHE A 21 12.072 8.356 -0.407 1.00 0.00 C ATOM 314 C PHE A 21 11.753 6.952 0.112 1.00 0.00 C ATOM 315 O PHE A 21 11.322 6.084 -0.619 1.00 0.00 O ATOM 316 CB PHE A 21 10.782 9.160 -0.559 1.00 0.00 C ATOM 317 CG PHE A 21 10.642 10.114 0.599 1.00 0.00 C ATOM 318 CD1 PHE A 21 10.440 9.617 1.891 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.713 11.495 0.382 1.00 0.00 C ATOM 320 CE1 PHE A 21 10.309 10.501 2.968 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.584 12.379 1.459 1.00 0.00 C ATOM 322 CZ PHE A 21 10.381 11.882 2.753 1.00 0.00 C ATOM 0 H PHE A 21 12.125 7.785 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 21 12.771 8.787 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.794 9.712 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.925 8.488 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.385 8.551 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.867 11.878 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.152 10.117 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.641 13.445 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.280 12.564 3.584 1.00 0.00 H new ATOM 332 N GLU A 22 11.939 6.744 1.389 1.00 0.00 N ATOM 333 CA GLU A 22 11.627 5.420 1.995 1.00 0.00 C ATOM 334 C GLU A 22 10.299 5.525 2.751 1.00 0.00 C ATOM 335 O GLU A 22 10.138 6.357 3.623 1.00 0.00 O ATOM 336 CB GLU A 22 12.780 5.141 2.960 1.00 0.00 C ATOM 337 CG GLU A 22 13.472 3.835 2.565 1.00 0.00 C ATOM 338 CD GLU A 22 14.879 4.139 2.049 1.00 0.00 C ATOM 339 OE1 GLU A 22 15.083 5.234 1.552 1.00 0.00 O ATOM 340 OE2 GLU A 22 15.730 3.271 2.159 1.00 0.00 O ATOM 0 H GLU A 22 12.297 7.442 2.042 1.00 0.00 H new ATOM 0 HA GLU A 22 11.528 4.623 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.494 5.964 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.405 5.072 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.525 3.165 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.894 3.323 1.796 1.00 0.00 H new ATOM 347 N ASP A 23 9.339 4.707 2.418 1.00 0.00 N ATOM 348 CA ASP A 23 8.023 4.790 3.113 1.00 0.00 C ATOM 349 C ASP A 23 7.898 3.698 4.175 1.00 0.00 C ATOM 350 O ASP A 23 8.372 2.590 4.006 1.00 0.00 O ATOM 351 CB ASP A 23 6.985 4.583 2.010 1.00 0.00 C ATOM 352 CG ASP A 23 5.914 5.671 2.109 1.00 0.00 C ATOM 353 OD1 ASP A 23 5.766 6.232 3.182 1.00 0.00 O ATOM 354 OD2 ASP A 23 5.260 5.924 1.111 1.00 0.00 O ATOM 0 H ASP A 23 9.408 3.988 1.698 1.00 0.00 H new ATOM 0 HA ASP A 23 7.895 5.741 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.465 4.618 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.528 3.598 2.106 1.00 0.00 H new ATOM 359 N LYS A 24 7.251 4.001 5.265 1.00 0.00 N ATOM 360 CA LYS A 24 7.077 2.985 6.339 1.00 0.00 C ATOM 361 C LYS A 24 6.033 1.954 5.903 1.00 0.00 C ATOM 362 O LYS A 24 6.112 0.789 6.240 1.00 0.00 O ATOM 363 CB LYS A 24 6.579 3.778 7.550 1.00 0.00 C ATOM 364 CG LYS A 24 6.113 2.809 8.637 1.00 0.00 C ATOM 365 CD LYS A 24 7.318 2.055 9.204 1.00 0.00 C ATOM 366 CE LYS A 24 6.978 1.534 10.602 1.00 0.00 C ATOM 367 NZ LYS A 24 5.696 0.795 10.434 1.00 0.00 N ATOM 0 H LYS A 24 6.834 4.911 5.459 1.00 0.00 H new ATOM 0 HA LYS A 24 7.995 2.442 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.376 4.416 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.759 4.434 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.606 3.355 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.391 2.104 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.583 1.225 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.185 2.714 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.764 0.881 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.872 2.353 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.607 0.079 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.900 1.462 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.684 0.327 9.505 1.00 0.00 H new ATOM 381 N ASP A 25 5.056 2.380 5.150 1.00 0.00 N ATOM 382 CA ASP A 25 4.003 1.435 4.680 1.00 0.00 C ATOM 383 C ASP A 25 3.928 1.444 3.150 1.00 0.00 C ATOM 384 O ASP A 25 3.501 0.489 2.533 1.00 0.00 O ATOM 385 CB ASP A 25 2.701 1.964 5.282 1.00 0.00 C ATOM 386 CG ASP A 25 2.132 0.931 6.256 1.00 0.00 C ATOM 387 OD1 ASP A 25 1.579 -0.052 5.789 1.00 0.00 O ATOM 388 OD2 ASP A 25 2.258 1.139 7.450 1.00 0.00 O ATOM 0 H ASP A 25 4.941 3.345 4.839 1.00 0.00 H new ATOM 0 HA ASP A 25 4.206 0.407 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.884 2.906 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.980 2.170 4.491 1.00 0.00 H new ATOM 393 N GLY A 26 4.338 2.521 2.533 1.00 0.00 N ATOM 394 CA GLY A 26 4.285 2.595 1.045 1.00 0.00 C ATOM 395 C GLY A 26 5.584 2.043 0.453 1.00 0.00 C ATOM 396 O GLY A 26 5.993 2.420 -0.626 1.00 0.00 O ATOM 0 H GLY A 26 4.707 3.352 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.434 2.025 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.140 3.628 0.728 1.00 0.00 H new ATOM 400 N ASP A 27 6.233 1.150 1.147 1.00 0.00 N ATOM 401 CA ASP A 27 7.502 0.577 0.617 1.00 0.00 C ATOM 402 C ASP A 27 8.551 1.677 0.440 1.00 0.00 C ATOM 403 O ASP A 27 9.385 1.897 1.296 1.00 0.00 O ATOM 404 CB ASP A 27 7.129 -0.026 -0.736 1.00 0.00 C ATOM 405 CG ASP A 27 7.091 -1.551 -0.623 1.00 0.00 C ATOM 406 OD1 ASP A 27 6.537 -2.040 0.349 1.00 0.00 O ATOM 407 OD2 ASP A 27 7.617 -2.205 -1.508 1.00 0.00 O ATOM 0 H ASP A 27 5.940 0.793 2.056 1.00 0.00 H new ATOM 0 HA ASP A 27 7.931 -0.164 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.158 0.350 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.854 0.275 -1.492 1.00 0.00 H new ATOM 412 N LYS A 28 8.516 2.366 -0.667 1.00 0.00 N ATOM 413 CA LYS A 28 9.514 3.449 -0.906 1.00 0.00 C ATOM 414 C LYS A 28 9.298 4.077 -2.286 1.00 0.00 C ATOM 415 O LYS A 28 8.980 3.400 -3.244 1.00 0.00 O ATOM 416 CB LYS A 28 10.871 2.744 -0.839 1.00 0.00 C ATOM 417 CG LYS A 28 11.976 3.682 -1.329 1.00 0.00 C ATOM 418 CD LYS A 28 12.985 2.888 -2.161 1.00 0.00 C ATOM 419 CE LYS A 28 14.362 2.955 -1.496 1.00 0.00 C ATOM 420 NZ LYS A 28 14.889 4.304 -1.841 1.00 0.00 N ATOM 0 H LYS A 28 7.839 2.227 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 28 9.434 4.258 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.077 2.431 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.851 1.842 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.547 4.486 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.475 4.148 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.663 1.851 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.038 3.293 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.286 2.825 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.018 2.168 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.881 4.377 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.830 4.447 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.325 5.031 -1.357 1.00 0.00 H new ATOM 434 N VAL A 29 9.473 5.368 -2.397 1.00 0.00 N ATOM 435 CA VAL A 29 9.284 6.035 -3.720 1.00 0.00 C ATOM 436 C VAL A 29 10.655 6.286 -4.363 1.00 0.00 C ATOM 437 O VAL A 29 11.604 6.645 -3.697 1.00 0.00 O ATOM 438 CB VAL A 29 8.537 7.361 -3.433 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.695 7.234 -2.161 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.529 8.516 -3.251 1.00 0.00 C ATOM 0 H VAL A 29 9.738 5.988 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 29 8.710 5.423 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 29 7.891 7.568 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.176 8.174 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.964 6.435 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.344 7.002 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.982 9.437 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.192 8.298 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.119 8.635 -4.159 1.00 0.00 H new ATOM 450 N VAL A 30 10.770 6.089 -5.647 1.00 0.00 N ATOM 451 CA VAL A 30 12.085 6.311 -6.313 1.00 0.00 C ATOM 452 C VAL A 30 11.929 7.246 -7.511 1.00 0.00 C ATOM 453 O VAL A 30 11.777 6.809 -8.635 1.00 0.00 O ATOM 454 CB VAL A 30 12.535 4.924 -6.769 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.843 4.062 -5.544 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.417 4.268 -7.585 1.00 0.00 C ATOM 0 H VAL A 30 10.015 5.785 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 30 12.809 6.778 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 30 13.430 5.015 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.164 3.072 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.637 4.529 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.948 3.970 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.737 3.278 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.523 4.176 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.194 4.883 -8.457 1.00 0.00 H new ATOM 466 N ALA A 31 11.975 8.530 -7.283 1.00 0.00 N ATOM 467 CA ALA A 31 11.834 9.494 -8.413 1.00 0.00 C ATOM 468 C ALA A 31 10.737 9.031 -9.375 1.00 0.00 C ATOM 469 O ALA A 31 11.010 8.605 -10.480 1.00 0.00 O ATOM 470 CB ALA A 31 13.195 9.485 -9.110 1.00 0.00 C ATOM 0 H ALA A 31 12.104 8.954 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 31 11.554 10.491 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.175 10.171 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.966 9.799 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.416 8.478 -9.465 1.00 0.00 H new ATOM 476 N GLY A 32 9.499 9.112 -8.970 1.00 0.00 N ATOM 477 CA GLY A 32 8.400 8.675 -9.877 1.00 0.00 C ATOM 478 C GLY A 32 7.039 8.865 -9.202 1.00 0.00 C ATOM 479 O GLY A 32 6.097 8.154 -9.488 1.00 0.00 O ATOM 0 H GLY A 32 9.202 9.459 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.436 9.248 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.537 7.627 -10.145 1.00 0.00 H new ATOM 483 N ASP A 33 6.913 9.818 -8.315 1.00 0.00 N ATOM 484 CA ASP A 33 5.592 10.029 -7.652 1.00 0.00 C ATOM 485 C ASP A 33 4.787 11.086 -8.413 1.00 0.00 C ATOM 486 O ASP A 33 5.339 11.998 -8.989 1.00 0.00 O ATOM 487 CB ASP A 33 5.922 10.514 -6.240 1.00 0.00 C ATOM 488 CG ASP A 33 6.593 9.384 -5.457 1.00 0.00 C ATOM 489 OD1 ASP A 33 6.844 8.348 -6.050 1.00 0.00 O ATOM 490 OD2 ASP A 33 6.843 9.574 -4.279 1.00 0.00 O ATOM 0 H ASP A 33 7.657 10.452 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 33 4.989 9.121 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.582 11.380 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.012 10.833 -5.731 1.00 0.00 H new ATOM 495 N GLU A 34 3.487 10.970 -8.427 1.00 0.00 N ATOM 496 CA GLU A 34 2.653 11.972 -9.156 1.00 0.00 C ATOM 497 C GLU A 34 1.355 12.241 -8.385 1.00 0.00 C ATOM 498 O GLU A 34 0.783 11.350 -7.789 1.00 0.00 O ATOM 499 CB GLU A 34 2.353 11.317 -10.505 1.00 0.00 C ATOM 500 CG GLU A 34 2.086 12.398 -11.554 1.00 0.00 C ATOM 501 CD GLU A 34 2.018 11.755 -12.941 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.529 10.639 -13.031 1.00 0.00 O ATOM 503 OE2 GLU A 34 2.454 12.387 -13.888 1.00 0.00 O ATOM 0 H GLU A 34 2.965 10.225 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 34 3.156 12.932 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.194 10.696 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.488 10.660 -10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.150 12.912 -11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.876 13.149 -11.528 1.00 0.00 H new ATOM 510 N TRP A 35 0.882 13.462 -8.389 1.00 0.00 N ATOM 511 CA TRP A 35 -0.380 13.770 -7.651 1.00 0.00 C ATOM 512 C TRP A 35 -1.018 15.067 -8.165 1.00 0.00 C ATOM 513 O TRP A 35 -0.415 15.818 -8.908 1.00 0.00 O ATOM 514 CB TRP A 35 0.044 13.916 -6.182 1.00 0.00 C ATOM 515 CG TRP A 35 0.615 15.279 -5.935 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.064 16.314 -5.390 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.962 15.771 -6.203 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.777 17.408 -5.309 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.036 17.124 -5.795 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.114 15.183 -6.754 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.209 17.868 -5.929 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.297 15.930 -6.889 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.344 17.267 -6.477 1.00 0.00 C ATOM 0 H TRP A 35 1.312 14.253 -8.868 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.129 12.990 -7.786 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.815 13.751 -5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.783 13.155 -5.933 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.095 16.290 -5.070 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.500 18.316 -4.935 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.090 14.152 -7.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.239 18.900 -5.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.176 15.469 -7.314 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.258 17.833 -6.583 1.00 0.00 H new ATOM 534 N LEU A 36 -2.235 15.336 -7.766 1.00 0.00 N ATOM 535 CA LEU A 36 -2.920 16.585 -8.216 1.00 0.00 C ATOM 536 C LEU A 36 -2.781 17.667 -7.143 1.00 0.00 C ATOM 537 O LEU A 36 -2.639 17.379 -5.973 1.00 0.00 O ATOM 538 CB LEU A 36 -4.389 16.194 -8.394 1.00 0.00 C ATOM 539 CG LEU A 36 -5.238 17.454 -8.585 1.00 0.00 C ATOM 540 CD1 LEU A 36 -5.079 17.969 -10.018 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.709 17.121 -8.327 1.00 0.00 C ATOM 0 H LEU A 36 -2.785 14.742 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.494 16.984 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.498 15.536 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.736 15.639 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.908 18.221 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.684 18.866 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.032 18.207 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.408 17.202 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.314 18.017 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.036 16.353 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.826 16.755 -7.307 1.00 0.00 H new ATOM 553 N PHE A 37 -2.822 18.910 -7.533 1.00 0.00 N ATOM 554 CA PHE A 37 -2.691 20.006 -6.532 1.00 0.00 C ATOM 555 C PHE A 37 -3.641 21.153 -6.885 1.00 0.00 C ATOM 556 O PHE A 37 -3.440 21.865 -7.850 1.00 0.00 O ATOM 557 CB PHE A 37 -1.234 20.455 -6.648 1.00 0.00 C ATOM 558 CG PHE A 37 -0.953 21.613 -5.713 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.915 22.036 -4.784 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.285 22.266 -5.778 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.636 23.108 -3.925 1.00 0.00 C ATOM 562 CE2 PHE A 37 0.562 23.338 -4.920 1.00 0.00 C ATOM 563 CZ PHE A 37 -0.399 23.758 -3.993 1.00 0.00 C ATOM 0 H PHE A 37 -2.940 19.215 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.944 19.688 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.572 19.622 -6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.020 20.751 -7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.871 21.536 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.028 21.942 -6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.377 23.433 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.517 23.840 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.186 24.584 -3.330 1.00 0.00 H new ATOM 573 N GLU A 38 -4.671 21.340 -6.106 1.00 0.00 N ATOM 574 CA GLU A 38 -5.629 22.447 -6.392 1.00 0.00 C ATOM 575 C GLU A 38 -5.286 23.651 -5.522 1.00 0.00 C ATOM 576 O GLU A 38 -4.972 23.517 -4.355 1.00 0.00 O ATOM 577 CB GLU A 38 -7.020 21.899 -6.044 1.00 0.00 C ATOM 578 CG GLU A 38 -7.107 20.413 -6.402 1.00 0.00 C ATOM 579 CD GLU A 38 -7.122 19.580 -5.119 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.504 20.117 -4.092 1.00 0.00 O ATOM 581 OE2 GLU A 38 -6.753 18.419 -5.186 1.00 0.00 O ATOM 0 H GLU A 38 -4.891 20.776 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.588 22.772 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.218 22.037 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.784 22.456 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.008 20.220 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.259 20.127 -7.024 1.00 0.00 H new ATOM 588 N GLY A 39 -5.327 24.827 -6.077 1.00 0.00 N ATOM 589 CA GLY A 39 -4.985 26.031 -5.270 1.00 0.00 C ATOM 590 C GLY A 39 -3.462 26.137 -5.155 1.00 0.00 C ATOM 591 O GLY A 39 -2.933 26.338 -4.080 1.00 0.00 O ATOM 0 H GLY A 39 -5.581 25.008 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.390 26.927 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.433 25.960 -4.279 1.00 0.00 H new ATOM 595 N PRO A 40 -2.807 25.976 -6.274 1.00 0.00 N ATOM 596 CA PRO A 40 -1.322 26.028 -6.308 1.00 0.00 C ATOM 597 C PRO A 40 -0.812 27.410 -5.902 1.00 0.00 C ATOM 598 O PRO A 40 -0.313 28.167 -6.712 1.00 0.00 O ATOM 599 CB PRO A 40 -0.991 25.709 -7.767 1.00 0.00 C ATOM 600 CG PRO A 40 -2.223 26.075 -8.520 1.00 0.00 C ATOM 601 CD PRO A 40 -3.373 25.751 -7.608 1.00 0.00 C ATOM 0 HA PRO A 40 -0.851 25.335 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.130 26.282 -8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.746 24.655 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.220 27.132 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.293 25.514 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.232 26.395 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.712 24.723 -7.735 1.00 0.00 H new ATOM 609 N GLY A 41 -0.929 27.741 -4.644 1.00 0.00 N ATOM 610 CA GLY A 41 -0.451 29.069 -4.171 1.00 0.00 C ATOM 611 C GLY A 41 0.942 29.339 -4.738 1.00 0.00 C ATOM 612 O GLY A 41 1.940 28.916 -4.190 1.00 0.00 O ATOM 0 H GLY A 41 -1.336 27.146 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.142 29.850 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.423 29.091 -3.082 1.00 0.00 H new ATOM 616 N THR A 42 1.018 30.044 -5.832 1.00 0.00 N ATOM 617 CA THR A 42 2.348 30.344 -6.435 1.00 0.00 C ATOM 618 C THR A 42 3.211 29.079 -6.482 1.00 0.00 C ATOM 619 O THR A 42 4.397 29.120 -6.223 1.00 0.00 O ATOM 620 CB THR A 42 2.983 31.391 -5.513 1.00 0.00 C ATOM 621 OG1 THR A 42 2.061 31.757 -4.496 1.00 0.00 O ATOM 622 CG2 THR A 42 3.359 32.627 -6.330 1.00 0.00 C ATOM 0 H THR A 42 0.217 30.426 -6.335 1.00 0.00 H new ATOM 0 HA THR A 42 2.258 30.705 -7.459 1.00 0.00 H new ATOM 0 HB THR A 42 3.878 30.972 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.471 32.425 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.811 33.372 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.071 32.347 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.464 33.044 -6.791 1.00 0.00 H new ATOM 630 N TYR A 43 2.630 27.955 -6.811 1.00 0.00 N ATOM 631 CA TYR A 43 3.434 26.700 -6.872 1.00 0.00 C ATOM 632 C TYR A 43 4.418 26.766 -8.047 1.00 0.00 C ATOM 633 O TYR A 43 4.056 27.092 -9.160 1.00 0.00 O ATOM 634 CB TYR A 43 2.402 25.579 -7.080 1.00 0.00 C ATOM 635 CG TYR A 43 2.988 24.469 -7.926 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.720 23.440 -7.325 1.00 0.00 C ATOM 637 CD2 TYR A 43 2.804 24.480 -9.314 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.268 22.419 -8.112 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.350 23.460 -10.101 1.00 0.00 C ATOM 640 CZ TYR A 43 4.083 22.429 -9.500 1.00 0.00 C ATOM 641 OH TYR A 43 4.623 21.425 -10.277 1.00 0.00 O ATOM 0 H TYR A 43 1.641 27.852 -7.038 1.00 0.00 H new ATOM 0 HA TYR A 43 4.028 26.538 -5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.089 25.182 -6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.512 25.981 -7.563 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.863 23.433 -6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.240 25.276 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.833 21.624 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.206 23.468 -11.171 1.00 0.00 H new ATOM 0 HH TYR A 43 4.890 20.676 -9.704 1.00 0.00 H new ATOM 651 N ILE A 44 5.656 26.442 -7.804 1.00 0.00 N ATOM 652 CA ILE A 44 6.666 26.462 -8.897 1.00 0.00 C ATOM 653 C ILE A 44 7.274 25.064 -9.044 1.00 0.00 C ATOM 654 O ILE A 44 7.383 24.336 -8.078 1.00 0.00 O ATOM 655 CB ILE A 44 7.718 27.479 -8.443 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.114 28.886 -8.490 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.933 27.415 -9.371 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.604 29.182 -9.902 1.00 0.00 C ATOM 0 H ILE A 44 6.014 26.163 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 44 6.246 26.734 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 44 8.031 27.247 -7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.296 28.965 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.863 29.623 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.679 28.140 -9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.362 26.414 -9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.625 27.646 -10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.175 30.184 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.432 29.121 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.841 28.453 -10.174 1.00 0.00 H new ATOM 670 N PRO A 45 7.640 24.726 -10.250 1.00 0.00 N ATOM 671 CA PRO A 45 8.228 23.389 -10.518 1.00 0.00 C ATOM 672 C PRO A 45 9.606 23.258 -9.863 1.00 0.00 C ATOM 673 O PRO A 45 10.627 23.302 -10.521 1.00 0.00 O ATOM 674 CB PRO A 45 8.329 23.342 -12.041 1.00 0.00 C ATOM 675 CG PRO A 45 8.376 24.774 -12.464 1.00 0.00 C ATOM 676 CD PRO A 45 7.550 25.541 -11.467 1.00 0.00 C ATOM 0 HA PRO A 45 7.633 22.571 -10.112 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.222 22.805 -12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.473 22.828 -12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.403 25.140 -12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.978 24.894 -13.472 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.943 26.545 -11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.518 25.652 -11.801 1.00 0.00 H new ATOM 684 N ARG A 46 9.637 23.088 -8.569 1.00 0.00 N ATOM 685 CA ARG A 46 10.943 22.944 -7.863 1.00 0.00 C ATOM 686 C ARG A 46 11.620 21.635 -8.281 1.00 0.00 C ATOM 687 O ARG A 46 10.967 20.632 -8.495 1.00 0.00 O ATOM 688 CB ARG A 46 10.585 22.911 -6.377 1.00 0.00 C ATOM 689 CG ARG A 46 11.866 22.928 -5.538 1.00 0.00 C ATOM 690 CD ARG A 46 11.503 23.012 -4.054 1.00 0.00 C ATOM 691 NE ARG A 46 12.569 22.244 -3.352 1.00 0.00 N ATOM 692 CZ ARG A 46 13.508 22.874 -2.701 1.00 0.00 C ATOM 693 NH1 ARG A 46 14.456 23.489 -3.354 1.00 0.00 N ATOM 694 NH2 ARG A 46 13.499 22.885 -1.394 1.00 0.00 N ATOM 0 H ARG A 46 8.813 23.043 -7.969 1.00 0.00 H new ATOM 0 HA ARG A 46 11.636 23.752 -8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.961 23.768 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.004 22.017 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.451 22.029 -5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.487 23.778 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.473 24.047 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.518 22.585 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 46 12.565 21.224 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.463 23.477 -4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.190 23.981 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.759 22.402 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.232 23.377 -0.883 1.00 0.00 H new ATOM 708 N LYS A 47 12.919 21.638 -8.403 1.00 0.00 N ATOM 709 CA LYS A 47 13.635 20.394 -8.811 1.00 0.00 C ATOM 710 C LYS A 47 13.037 19.173 -8.103 1.00 0.00 C ATOM 711 O LYS A 47 12.988 18.092 -8.653 1.00 0.00 O ATOM 712 CB LYS A 47 15.085 20.613 -8.379 1.00 0.00 C ATOM 713 CG LYS A 47 15.128 20.968 -6.892 1.00 0.00 C ATOM 714 CD LYS A 47 16.462 21.642 -6.567 1.00 0.00 C ATOM 715 CE LYS A 47 17.059 21.017 -5.306 1.00 0.00 C ATOM 716 NZ LYS A 47 17.504 19.658 -5.726 1.00 0.00 N ATOM 0 H LYS A 47 13.517 22.448 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 47 13.552 20.204 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.671 19.713 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.534 21.413 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.302 21.633 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.006 20.068 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.152 21.528 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.314 22.712 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.894 21.608 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.322 20.961 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.017 18.940 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.274 19.512 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.531 19.572 -5.590 1.00 0.00 H new ATOM 730 N GLU A 48 12.578 19.336 -6.892 1.00 0.00 N ATOM 731 CA GLU A 48 11.983 18.178 -6.163 1.00 0.00 C ATOM 732 C GLU A 48 10.957 17.473 -7.052 1.00 0.00 C ATOM 733 O GLU A 48 10.996 16.273 -7.236 1.00 0.00 O ATOM 734 CB GLU A 48 11.298 18.788 -4.939 1.00 0.00 C ATOM 735 CG GLU A 48 11.018 17.689 -3.911 1.00 0.00 C ATOM 736 CD GLU A 48 9.942 18.164 -2.933 1.00 0.00 C ATOM 737 OE1 GLU A 48 10.198 19.118 -2.218 1.00 0.00 O ATOM 738 OE2 GLU A 48 8.879 17.564 -2.915 1.00 0.00 O ATOM 0 H GLU A 48 12.589 20.216 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 48 12.731 17.436 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.932 19.558 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.366 19.271 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.690 16.780 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.931 17.441 -3.370 1.00 0.00 H new ATOM 745 N VAL A 49 10.043 18.215 -7.610 1.00 0.00 N ATOM 746 CA VAL A 49 9.012 17.605 -8.496 1.00 0.00 C ATOM 747 C VAL A 49 8.889 18.433 -9.779 1.00 0.00 C ATOM 748 O VAL A 49 9.482 19.486 -9.905 1.00 0.00 O ATOM 749 CB VAL A 49 7.699 17.635 -7.693 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.980 17.346 -6.216 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.039 19.012 -7.818 1.00 0.00 C ATOM 0 H VAL A 49 9.965 19.225 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 49 9.266 16.586 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 49 7.030 16.873 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.045 17.369 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.437 16.361 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.659 18.101 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.111 19.024 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.714 19.775 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.822 19.218 -8.866 1.00 0.00 H new ATOM 761 N GLU A 50 8.125 17.974 -10.728 1.00 0.00 N ATOM 762 CA GLU A 50 7.974 18.749 -11.993 1.00 0.00 C ATOM 763 C GLU A 50 6.500 18.886 -12.365 1.00 0.00 C ATOM 764 O GLU A 50 5.761 17.921 -12.365 1.00 0.00 O ATOM 765 CB GLU A 50 8.699 17.926 -13.055 1.00 0.00 C ATOM 766 CG GLU A 50 9.983 18.642 -13.473 1.00 0.00 C ATOM 767 CD GLU A 50 9.787 19.278 -14.851 1.00 0.00 C ATOM 768 OE1 GLU A 50 9.498 18.546 -15.783 1.00 0.00 O ATOM 769 OE2 GLU A 50 9.927 20.486 -14.950 1.00 0.00 O ATOM 0 H GLU A 50 7.600 17.100 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 50 8.379 19.757 -11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.934 16.936 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.053 17.782 -13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.240 19.407 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.813 17.936 -13.501 1.00 0.00 H new ATOM 776 N VAL A 51 6.064 20.067 -12.706 1.00 0.00 N ATOM 777 CA VAL A 51 4.639 20.226 -13.101 1.00 0.00 C ATOM 778 C VAL A 51 4.341 19.235 -14.222 1.00 0.00 C ATOM 779 O VAL A 51 5.181 18.968 -15.058 1.00 0.00 O ATOM 780 CB VAL A 51 4.511 21.666 -13.596 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.228 21.810 -14.940 1.00 0.00 C ATOM 782 CG2 VAL A 51 3.030 22.014 -13.768 1.00 0.00 C ATOM 0 H VAL A 51 6.625 20.918 -12.728 1.00 0.00 H new ATOM 0 HA VAL A 51 3.941 20.035 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 51 4.963 22.342 -12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.137 22.837 -15.293 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.282 21.560 -14.819 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.777 21.135 -15.667 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.936 23.041 -14.121 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.579 21.338 -14.495 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.519 21.911 -12.811 1.00 0.00 H new ATOM 792 N VAL A 52 3.173 18.670 -14.247 1.00 0.00 N ATOM 793 CA VAL A 52 2.875 17.681 -15.322 1.00 0.00 C ATOM 794 C VAL A 52 1.635 18.100 -16.112 1.00 0.00 C ATOM 795 O VAL A 52 1.678 18.266 -17.315 1.00 0.00 O ATOM 796 CB VAL A 52 2.624 16.360 -14.595 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.584 15.219 -15.612 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.749 16.103 -13.591 1.00 0.00 C ATOM 0 H VAL A 52 2.419 18.843 -13.583 1.00 0.00 H new ATOM 0 HA VAL A 52 3.692 17.604 -16.039 1.00 0.00 H new ATOM 0 HB VAL A 52 1.672 16.415 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.405 14.276 -15.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.782 15.398 -16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.537 15.168 -16.139 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.567 15.161 -13.074 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.702 16.050 -14.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.781 16.915 -12.864 1.00 0.00 H new ATOM 808 N GLU A 53 0.531 18.266 -15.444 1.00 0.00 N ATOM 809 CA GLU A 53 -0.714 18.669 -16.157 1.00 0.00 C ATOM 810 C GLU A 53 -1.429 19.773 -15.381 1.00 0.00 C ATOM 811 O GLU A 53 -1.120 20.042 -14.237 1.00 0.00 O ATOM 812 CB GLU A 53 -1.579 17.406 -16.197 1.00 0.00 C ATOM 813 CG GLU A 53 -0.719 16.200 -16.576 1.00 0.00 C ATOM 814 CD GLU A 53 -0.275 16.326 -18.034 1.00 0.00 C ATOM 815 OE1 GLU A 53 -1.045 16.845 -18.826 1.00 0.00 O ATOM 816 OE2 GLU A 53 0.830 15.904 -18.335 1.00 0.00 O ATOM 0 H GLU A 53 0.435 18.141 -14.436 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.509 19.056 -17.155 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.044 17.242 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.386 17.530 -16.919 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.152 16.142 -15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.284 15.279 -16.436 1.00 0.00 H new ATOM 823 N ILE A 54 -2.388 20.405 -15.991 1.00 0.00 N ATOM 824 CA ILE A 54 -3.134 21.483 -15.283 1.00 0.00 C ATOM 825 C ILE A 54 -4.627 21.329 -15.571 1.00 0.00 C ATOM 826 O ILE A 54 -5.016 20.874 -16.628 1.00 0.00 O ATOM 827 CB ILE A 54 -2.611 22.820 -15.834 1.00 0.00 C ATOM 828 CG1 ILE A 54 -1.203 22.655 -16.426 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.554 23.835 -14.691 1.00 0.00 C ATOM 830 CD1 ILE A 54 -0.209 22.326 -15.312 1.00 0.00 C ATOM 0 H ILE A 54 -2.689 20.224 -16.948 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.990 21.435 -14.204 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.282 23.163 -16.622 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.203 21.861 -17.172 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.903 23.571 -16.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.184 24.788 -15.069 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.552 23.972 -14.276 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.884 23.469 -13.913 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.788 22.210 -15.737 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.200 23.135 -14.581 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.505 21.398 -14.822 1.00 0.00 H new ATOM 842 N ILE A 55 -5.468 21.687 -14.643 1.00 0.00 N ATOM 843 CA ILE A 55 -6.930 21.534 -14.883 1.00 0.00 C ATOM 844 C ILE A 55 -7.707 22.713 -14.282 1.00 0.00 C ATOM 845 O ILE A 55 -7.454 23.134 -13.170 1.00 0.00 O ATOM 846 CB ILE A 55 -7.298 20.208 -14.195 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.450 19.532 -14.949 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.717 20.457 -12.740 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.499 20.572 -15.349 1.00 0.00 C ATOM 0 H ILE A 55 -5.210 22.076 -13.736 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.180 21.524 -15.944 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.423 19.558 -14.206 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.068 19.029 -15.837 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.906 18.767 -14.321 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.974 19.509 -12.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.892 20.920 -12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.583 21.119 -12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.312 20.081 -15.884 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.892 21.055 -14.454 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.041 21.321 -15.994 1.00 0.00 H new ATOM 861 N GLN A 56 -8.655 23.239 -15.009 1.00 0.00 N ATOM 862 CA GLN A 56 -9.455 24.380 -14.482 1.00 0.00 C ATOM 863 C GLN A 56 -10.707 23.855 -13.773 1.00 0.00 C ATOM 864 O GLN A 56 -10.992 22.674 -13.789 1.00 0.00 O ATOM 865 CB GLN A 56 -9.838 25.199 -15.715 1.00 0.00 C ATOM 866 CG GLN A 56 -8.572 25.728 -16.392 1.00 0.00 C ATOM 867 CD GLN A 56 -7.964 26.840 -15.537 1.00 0.00 C ATOM 868 OE1 GLN A 56 -8.666 27.715 -15.069 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.678 26.846 -15.315 1.00 0.00 N ATOM 0 H GLN A 56 -8.910 22.927 -15.946 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.902 24.976 -13.756 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.405 24.582 -16.412 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.483 26.029 -15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.852 24.920 -16.523 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.810 26.107 -17.386 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.089 26.112 -15.708 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.262 27.585 -14.749 1.00 0.00 H new ATOM 878 N ALA A 57 -11.457 24.722 -13.152 1.00 0.00 N ATOM 879 CA ALA A 57 -12.688 24.268 -12.443 1.00 0.00 C ATOM 880 C ALA A 57 -13.922 24.490 -13.323 1.00 0.00 C ATOM 881 O ALA A 57 -14.155 25.575 -13.818 1.00 0.00 O ATOM 882 CB ALA A 57 -12.760 25.134 -11.185 1.00 0.00 C ATOM 0 H ALA A 57 -11.272 25.724 -13.104 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.659 23.205 -12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.642 24.861 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.866 24.975 -10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.823 26.184 -11.469 1.00 0.00 H new ATOM 888 N THR A 58 -14.714 23.469 -13.520 1.00 0.00 N ATOM 889 CA THR A 58 -15.935 23.618 -14.370 1.00 0.00 C ATOM 890 C THR A 58 -16.591 22.256 -14.611 1.00 0.00 C ATOM 891 O THR A 58 -16.264 21.562 -15.553 1.00 0.00 O ATOM 892 CB THR A 58 -15.435 24.196 -15.695 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.434 24.022 -16.691 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.159 23.470 -16.123 1.00 0.00 C ATOM 0 H THR A 58 -14.569 22.538 -13.130 1.00 0.00 H new ATOM 0 HA THR A 58 -16.681 24.256 -13.895 1.00 0.00 H new ATOM 0 HB THR A 58 -15.222 25.258 -15.570 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.117 24.393 -17.541 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.804 23.883 -17.067 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.392 23.601 -15.359 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.369 22.408 -16.248 1.00 0.00 H new ATOM 902 N ILE A 59 -17.517 21.866 -13.777 1.00 0.00 N ATOM 903 CA ILE A 59 -18.184 20.550 -13.985 1.00 0.00 C ATOM 904 C ILE A 59 -19.197 20.272 -12.857 1.00 0.00 C ATOM 905 O ILE A 59 -20.339 19.946 -13.114 1.00 0.00 O ATOM 906 CB ILE A 59 -17.024 19.534 -14.033 1.00 0.00 C ATOM 907 CG1 ILE A 59 -16.967 18.920 -15.434 1.00 0.00 C ATOM 908 CG2 ILE A 59 -17.205 18.411 -13.005 1.00 0.00 C ATOM 909 CD1 ILE A 59 -15.511 18.671 -15.830 1.00 0.00 C ATOM 0 H ILE A 59 -17.838 22.397 -12.967 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.775 20.502 -14.900 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.100 20.061 -13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.524 17.984 -15.454 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.440 19.588 -16.154 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -16.367 17.718 -13.072 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -17.243 18.838 -12.003 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -18.134 17.878 -13.208 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -15.475 18.234 -16.828 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -14.967 19.615 -15.828 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.052 17.986 -15.117 1.00 0.00 H new ATOM 921 N ILE A 60 -18.802 20.407 -11.617 1.00 0.00 N ATOM 922 CA ILE A 60 -19.767 20.158 -10.499 1.00 0.00 C ATOM 923 C ILE A 60 -19.971 21.437 -9.676 1.00 0.00 C ATOM 924 O ILE A 60 -20.804 22.262 -9.998 1.00 0.00 O ATOM 925 CB ILE A 60 -19.133 19.055 -9.647 1.00 0.00 C ATOM 926 CG1 ILE A 60 -19.169 17.732 -10.419 1.00 0.00 C ATOM 927 CG2 ILE A 60 -19.921 18.897 -8.342 1.00 0.00 C ATOM 928 CD1 ILE A 60 -20.602 17.193 -10.452 1.00 0.00 C ATOM 0 H ILE A 60 -17.861 20.677 -11.330 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.749 19.861 -10.867 1.00 0.00 H new ATOM 0 HB ILE A 60 -18.101 19.322 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -18.803 17.882 -11.435 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -18.508 17.006 -9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -19.469 18.112 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -19.903 19.837 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -20.953 18.630 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.624 16.252 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.952 17.026 -9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.252 17.916 -10.945 1.00 0.00 H new ATOM 940 N ARG A 61 -19.221 21.611 -8.621 1.00 0.00 N ATOM 941 CA ARG A 61 -19.380 22.843 -7.789 1.00 0.00 C ATOM 942 C ARG A 61 -18.384 22.853 -6.625 1.00 0.00 C ATOM 943 O ARG A 61 -17.405 22.132 -6.621 1.00 0.00 O ATOM 944 CB ARG A 61 -20.814 22.788 -7.263 1.00 0.00 C ATOM 945 CG ARG A 61 -21.634 23.912 -7.898 1.00 0.00 C ATOM 946 CD ARG A 61 -23.106 23.501 -7.954 1.00 0.00 C ATOM 947 NE ARG A 61 -23.395 22.923 -6.612 1.00 0.00 N ATOM 948 CZ ARG A 61 -24.373 23.402 -5.892 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.570 24.690 -5.834 1.00 0.00 N ATOM 950 NH2 ARG A 61 -25.152 22.593 -5.230 1.00 0.00 N ATOM 0 H ARG A 61 -18.507 20.957 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 61 -19.188 23.746 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.261 21.821 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -20.819 22.889 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -21.523 24.829 -7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -21.266 24.123 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.747 24.357 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -23.283 22.772 -8.744 1.00 0.00 H new ATOM 0 HE ARG A 61 -22.829 22.153 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.960 25.323 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.334 25.064 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.997 21.586 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.916 22.967 -4.667 1.00 0.00 H new ATOM 964 N GLN A 62 -18.623 23.679 -5.641 1.00 0.00 N ATOM 965 CA GLN A 62 -17.687 23.757 -4.474 1.00 0.00 C ATOM 966 C GLN A 62 -18.138 22.811 -3.354 1.00 0.00 C ATOM 967 O GLN A 62 -17.520 21.799 -3.091 1.00 0.00 O ATOM 968 CB GLN A 62 -17.724 25.216 -3.964 1.00 0.00 C ATOM 969 CG GLN A 62 -18.310 26.173 -5.015 1.00 0.00 C ATOM 970 CD GLN A 62 -19.811 26.348 -4.763 1.00 0.00 C ATOM 971 OE1 GLN A 62 -20.617 25.608 -5.290 1.00 0.00 O ATOM 972 NE2 GLN A 62 -20.222 27.301 -3.971 1.00 0.00 N ATOM 0 H GLN A 62 -19.427 24.305 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.681 23.464 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -18.320 25.268 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.715 25.536 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.807 27.138 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.142 25.778 -6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -19.546 27.923 -3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.219 27.424 -3.795 1.00 0.00 H new ATOM 981 N ASN A 63 -19.202 23.158 -2.683 1.00 0.00 N ATOM 982 CA ASN A 63 -19.706 22.315 -1.556 1.00 0.00 C ATOM 983 C ASN A 63 -19.645 20.822 -1.896 1.00 0.00 C ATOM 984 O ASN A 63 -19.588 19.983 -1.017 1.00 0.00 O ATOM 985 CB ASN A 63 -21.157 22.756 -1.360 1.00 0.00 C ATOM 986 CG ASN A 63 -21.229 23.784 -0.230 1.00 0.00 C ATOM 987 OD1 ASN A 63 -20.277 24.495 0.023 1.00 0.00 O ATOM 988 ND2 ASN A 63 -22.329 23.893 0.464 1.00 0.00 N ATOM 0 H ASN A 63 -19.751 23.998 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.101 22.444 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.545 23.187 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.781 21.895 -1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -22.390 24.576 1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.128 23.296 0.251 1.00 0.00 H new ATOM 995 N GLN A 64 -19.667 20.474 -3.151 1.00 0.00 N ATOM 996 CA GLN A 64 -19.620 19.028 -3.511 1.00 0.00 C ATOM 997 C GLN A 64 -18.349 18.379 -2.944 1.00 0.00 C ATOM 998 O GLN A 64 -17.262 18.908 -3.057 1.00 0.00 O ATOM 999 CB GLN A 64 -19.657 19.000 -5.055 1.00 0.00 C ATOM 1000 CG GLN A 64 -18.314 18.534 -5.642 1.00 0.00 C ATOM 1001 CD GLN A 64 -18.176 17.013 -5.499 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -17.307 16.418 -6.102 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -18.998 16.354 -4.726 1.00 0.00 N ATOM 0 H GLN A 64 -19.715 21.121 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 64 -20.450 18.459 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -20.452 18.334 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -19.895 19.994 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.250 18.816 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.491 19.032 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -19.729 16.851 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -18.908 15.342 -4.631 1.00 0.00 H new ATOM 1012 N ALA A 65 -18.482 17.230 -2.338 1.00 0.00 N ATOM 1013 CA ALA A 65 -17.288 16.539 -1.774 1.00 0.00 C ATOM 1014 C ALA A 65 -16.974 15.301 -2.619 1.00 0.00 C ATOM 1015 O ALA A 65 -17.863 14.590 -3.048 1.00 0.00 O ATOM 1016 CB ALA A 65 -17.688 16.143 -0.351 1.00 0.00 C ATOM 0 H ALA A 65 -19.367 16.740 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.397 17.166 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.857 15.627 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.939 17.038 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.553 15.481 -0.387 1.00 0.00 H new ATOM 1022 N LEU A 66 -15.720 15.046 -2.881 1.00 0.00 N ATOM 1023 CA LEU A 66 -15.365 13.865 -3.720 1.00 0.00 C ATOM 1024 C LEU A 66 -14.350 12.972 -3.002 1.00 0.00 C ATOM 1025 O LEU A 66 -13.206 13.336 -2.823 1.00 0.00 O ATOM 1026 CB LEU A 66 -14.748 14.472 -4.983 1.00 0.00 C ATOM 1027 CG LEU A 66 -15.404 13.891 -6.241 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.924 13.830 -6.072 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -15.073 14.789 -7.432 1.00 0.00 C ATOM 0 H LEU A 66 -14.930 15.601 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.228 13.235 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.872 15.555 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.676 14.274 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.025 12.882 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.374 13.415 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.170 13.197 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.312 14.834 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.535 14.384 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.455 15.793 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.992 14.831 -7.567 1.00 0.00 H new ATOM 1041 N ARG A 67 -14.756 11.794 -2.609 1.00 0.00 N ATOM 1042 CA ARG A 67 -13.812 10.873 -1.916 1.00 0.00 C ATOM 1043 C ARG A 67 -13.094 10.014 -2.954 1.00 0.00 C ATOM 1044 O ARG A 67 -13.714 9.344 -3.755 1.00 0.00 O ATOM 1045 CB ARG A 67 -14.691 10.005 -1.013 1.00 0.00 C ATOM 1046 CG ARG A 67 -13.810 9.051 -0.205 1.00 0.00 C ATOM 1047 CD ARG A 67 -13.936 9.378 1.285 1.00 0.00 C ATOM 1048 NE ARG A 67 -15.357 9.087 1.625 1.00 0.00 N ATOM 1049 CZ ARG A 67 -16.018 9.893 2.410 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -15.437 10.397 3.464 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -17.259 10.193 2.143 1.00 0.00 N ATOM 0 H ARG A 67 -15.700 11.431 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.050 11.401 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.274 10.635 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.401 9.438 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.110 8.019 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.771 9.142 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.255 8.771 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.689 10.421 1.482 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.813 8.258 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.467 10.161 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.953 11.027 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.714 9.797 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.775 10.823 2.757 1.00 0.00 H new ATOM 1065 N LEU A 68 -11.791 10.050 -2.966 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.041 9.254 -3.982 1.00 0.00 C ATOM 1067 C LEU A 68 -10.064 8.279 -3.314 1.00 0.00 C ATOM 1068 O LEU A 68 -9.496 8.561 -2.277 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.270 10.288 -4.807 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.154 11.508 -5.089 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.343 12.558 -5.849 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.355 11.089 -5.940 1.00 0.00 C ATOM 0 H LEU A 68 -11.214 10.592 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.714 8.650 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.373 10.596 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.942 9.843 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.504 11.924 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.970 13.426 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.486 12.861 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.994 12.136 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.981 11.959 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.004 10.671 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.936 10.338 -5.405 1.00 0.00 H new ATOM 1084 N ARG A 69 -9.855 7.141 -3.921 1.00 0.00 N ATOM 1085 CA ARG A 69 -8.904 6.143 -3.350 1.00 0.00 C ATOM 1086 C ARG A 69 -7.710 5.980 -4.296 1.00 0.00 C ATOM 1087 O ARG A 69 -7.755 6.400 -5.435 1.00 0.00 O ATOM 1088 CB ARG A 69 -9.700 4.842 -3.253 1.00 0.00 C ATOM 1089 CG ARG A 69 -8.887 3.804 -2.476 1.00 0.00 C ATOM 1090 CD ARG A 69 -9.826 2.731 -1.920 1.00 0.00 C ATOM 1091 NE ARG A 69 -10.022 1.772 -3.041 1.00 0.00 N ATOM 1092 CZ ARG A 69 -8.989 1.203 -3.599 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -8.002 0.775 -2.861 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -8.945 1.061 -4.896 1.00 0.00 N ATOM 0 H ARG A 69 -10.304 6.859 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.511 6.443 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.652 5.022 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.929 4.468 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.142 3.348 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.346 4.286 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.391 2.238 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.774 3.163 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.963 1.560 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.038 0.885 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.194 0.330 -3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.718 1.395 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.138 0.616 -5.333 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.640 5.386 -3.841 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.450 5.218 -4.727 1.00 0.00 C ATOM 1110 C ALA A 70 -5.590 3.981 -5.616 1.00 0.00 C ATOM 1111 O ALA A 70 -6.359 3.081 -5.339 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.262 5.038 -3.783 1.00 0.00 C ATOM 0 H ALA A 70 -6.537 5.011 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.333 6.075 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.350 4.909 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.165 5.919 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.422 4.158 -3.160 1.00 0.00 H new ATOM 1118 N ARG A 71 -4.827 3.930 -6.674 1.00 0.00 N ATOM 1119 CA ARG A 71 -4.870 2.753 -7.589 1.00 0.00 C ATOM 1120 C ARG A 71 -3.461 2.168 -7.713 1.00 0.00 C ATOM 1121 O ARG A 71 -3.275 0.971 -7.795 1.00 0.00 O ATOM 1122 CB ARG A 71 -5.348 3.308 -8.931 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.274 2.210 -9.994 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.676 1.926 -10.537 1.00 0.00 C ATOM 1125 NE ARG A 71 -6.462 1.503 -11.948 1.00 0.00 N ATOM 1126 CZ ARG A 71 -6.639 0.255 -12.288 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -6.486 -0.691 -11.401 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -6.970 -0.048 -13.514 1.00 0.00 N ATOM 0 H ARG A 71 -4.169 4.661 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.527 1.959 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.371 3.674 -8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.731 4.157 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.615 2.519 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.848 1.303 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.172 1.145 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.308 2.812 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.177 2.188 -12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.228 -0.455 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.624 -1.666 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.090 0.691 -14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.108 -1.023 -13.779 1.00 0.00 H new ATOM 1142 N LYS A 72 -2.466 3.015 -7.708 1.00 0.00 N ATOM 1143 CA LYS A 72 -1.059 2.531 -7.804 1.00 0.00 C ATOM 1144 C LYS A 72 -0.249 3.083 -6.630 1.00 0.00 C ATOM 1145 O LYS A 72 -0.533 4.147 -6.117 1.00 0.00 O ATOM 1146 CB LYS A 72 -0.513 3.092 -9.120 1.00 0.00 C ATOM 1147 CG LYS A 72 -1.563 2.964 -10.223 1.00 0.00 C ATOM 1148 CD LYS A 72 -1.699 1.497 -10.638 1.00 0.00 C ATOM 1149 CE LYS A 72 -1.171 1.321 -12.064 1.00 0.00 C ATOM 1150 NZ LYS A 72 0.289 1.064 -11.906 1.00 0.00 N ATOM 0 H LYS A 72 -2.569 4.028 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.000 1.443 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.236 4.138 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.392 2.556 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.522 3.343 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.277 3.570 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.142 0.860 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.743 1.188 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.666 0.491 -12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.352 2.212 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.722 0.933 -12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.734 1.874 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.431 0.206 -11.336 1.00 0.00 H new ATOM 1164 N GLU A 73 0.761 2.380 -6.206 1.00 0.00 N ATOM 1165 CA GLU A 73 1.585 2.888 -5.071 1.00 0.00 C ATOM 1166 C GLU A 73 2.626 3.879 -5.597 1.00 0.00 C ATOM 1167 O GLU A 73 3.683 3.498 -6.059 1.00 0.00 O ATOM 1168 CB GLU A 73 2.259 1.651 -4.473 1.00 0.00 C ATOM 1169 CG GLU A 73 3.449 2.081 -3.612 1.00 0.00 C ATOM 1170 CD GLU A 73 4.091 0.847 -2.976 1.00 0.00 C ATOM 1171 OE1 GLU A 73 3.355 0.000 -2.498 1.00 0.00 O ATOM 1172 OE2 GLU A 73 5.309 0.770 -2.977 1.00 0.00 O ATOM 0 H GLU A 73 1.052 1.482 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 73 0.990 3.413 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.544 1.091 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.594 0.986 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.180 2.611 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.119 2.773 -2.837 1.00 0.00 H new ATOM 1179 N CYS A 74 2.333 5.150 -5.538 1.00 0.00 N ATOM 1180 CA CYS A 74 3.305 6.162 -6.043 1.00 0.00 C ATOM 1181 C CYS A 74 2.726 7.578 -5.923 1.00 0.00 C ATOM 1182 O CYS A 74 3.453 8.544 -5.806 1.00 0.00 O ATOM 1183 CB CYS A 74 3.524 5.798 -7.512 1.00 0.00 C ATOM 1184 SG CYS A 74 5.223 5.220 -7.749 1.00 0.00 S ATOM 0 H CYS A 74 1.464 5.531 -5.163 1.00 0.00 H new ATOM 0 HA CYS A 74 4.234 6.156 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.820 5.022 -7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.333 6.665 -8.144 1.00 0.00 H new ATOM 0 HG CYS A 74 5.378 4.073 -7.156 1.00 0.00 H new ATOM 1190 N TRP A 75 1.425 7.713 -5.957 1.00 0.00 N ATOM 1191 CA TRP A 75 0.818 9.074 -5.851 1.00 0.00 C ATOM 1192 C TRP A 75 0.906 9.581 -4.406 1.00 0.00 C ATOM 1193 O TRP A 75 0.455 8.934 -3.482 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.649 8.896 -6.292 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.548 9.821 -5.523 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.456 11.169 -5.542 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.659 9.500 -4.634 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.433 11.698 -4.720 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.201 10.711 -4.138 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.243 8.292 -4.208 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.281 10.725 -3.258 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.334 8.306 -3.320 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -4.849 9.519 -2.846 1.00 0.00 C ATOM 0 H TRP A 75 0.760 6.945 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 75 1.333 9.809 -6.469 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.740 9.096 -7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.959 7.863 -6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.735 11.741 -6.108 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.570 12.697 -4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.852 7.351 -4.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.676 11.663 -2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.778 7.374 -3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.685 9.521 -2.162 1.00 0.00 H new ATOM 1214 N ASP A 76 1.469 10.743 -4.211 1.00 0.00 N ATOM 1215 CA ASP A 76 1.569 11.299 -2.832 1.00 0.00 C ATOM 1216 C ASP A 76 0.384 12.232 -2.569 1.00 0.00 C ATOM 1217 O ASP A 76 0.193 13.215 -3.257 1.00 0.00 O ATOM 1218 CB ASP A 76 2.886 12.075 -2.808 1.00 0.00 C ATOM 1219 CG ASP A 76 4.024 11.162 -3.267 1.00 0.00 C ATOM 1220 OD1 ASP A 76 3.882 9.958 -3.131 1.00 0.00 O ATOM 1221 OD2 ASP A 76 5.019 11.682 -3.747 1.00 0.00 O ATOM 0 H ASP A 76 1.863 11.330 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 76 1.548 10.525 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.819 12.946 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.085 12.444 -1.802 1.00 0.00 H new ATOM 1226 N ARG A 77 -0.417 11.922 -1.588 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.601 12.780 -1.281 1.00 0.00 C ATOM 1228 C ARG A 77 -1.250 14.265 -1.426 1.00 0.00 C ATOM 1229 O ARG A 77 -1.885 14.992 -2.162 1.00 0.00 O ATOM 1230 CB ARG A 77 -1.955 12.456 0.170 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.123 11.467 0.207 1.00 0.00 C ATOM 1232 CD ARG A 77 -4.017 11.776 1.410 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.287 11.226 2.585 1.00 0.00 N ATOM 1234 CZ ARG A 77 -3.132 11.954 3.658 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.099 12.049 4.528 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -2.009 12.587 3.859 1.00 0.00 N ATOM 0 H ARG A 77 -0.304 11.109 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.430 12.588 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.090 12.031 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.222 13.369 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.700 11.535 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.747 10.446 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.181 12.848 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.998 11.312 1.302 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.908 10.280 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.977 11.554 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.977 12.618 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.253 12.513 3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.887 13.156 4.697 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.247 14.722 -0.729 1.00 0.00 N ATOM 1251 CA ASP A 78 0.136 16.159 -0.828 1.00 0.00 C ATOM 1252 C ASP A 78 1.563 16.295 -1.365 1.00 0.00 C ATOM 1253 O ASP A 78 2.026 17.379 -1.659 1.00 0.00 O ATOM 1254 CB ASP A 78 0.049 16.688 0.604 1.00 0.00 C ATOM 1255 CG ASP A 78 0.271 18.201 0.604 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.281 18.778 -0.471 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.426 18.757 1.679 1.00 0.00 O ATOM 0 H ASP A 78 0.324 14.163 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.510 16.712 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.926 16.453 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.797 16.200 1.229 1.00 0.00 H new ATOM 1262 N GLY A 79 2.265 15.203 -1.492 1.00 0.00 N ATOM 1263 CA GLY A 79 3.662 15.271 -2.006 1.00 0.00 C ATOM 1264 C GLY A 79 4.542 14.309 -1.209 1.00 0.00 C ATOM 1265 O GLY A 79 5.601 13.909 -1.650 1.00 0.00 O ATOM 0 H GLY A 79 1.932 14.267 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.685 15.011 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.044 16.288 -1.919 1.00 0.00 H new ATOM 1269 N LYS A 80 4.111 13.936 -0.036 1.00 0.00 N ATOM 1270 CA LYS A 80 4.923 12.998 0.792 1.00 0.00 C ATOM 1271 C LYS A 80 5.040 11.644 0.082 1.00 0.00 C ATOM 1272 O LYS A 80 5.334 11.579 -1.095 1.00 0.00 O ATOM 1273 CB LYS A 80 4.149 12.864 2.105 1.00 0.00 C ATOM 1274 CG LYS A 80 3.720 14.252 2.589 1.00 0.00 C ATOM 1275 CD LYS A 80 3.991 14.379 4.089 1.00 0.00 C ATOM 1276 CE LYS A 80 4.773 15.668 4.359 1.00 0.00 C ATOM 1277 NZ LYS A 80 3.776 16.763 4.205 1.00 0.00 N ATOM 0 H LYS A 80 3.233 14.239 0.385 1.00 0.00 H new ATOM 0 HA LYS A 80 5.939 13.355 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.274 12.231 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.771 12.381 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.265 15.023 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.660 14.407 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.050 14.389 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.557 13.517 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.205 15.665 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.598 15.784 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.089 17.415 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.853 16.359 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.688 17.281 5.103 1.00 0.00 H new ATOM 1291 N GLU A 81 4.815 10.562 0.779 1.00 0.00 N ATOM 1292 CA GLU A 81 4.917 9.223 0.127 1.00 0.00 C ATOM 1293 C GLU A 81 3.836 8.288 0.675 1.00 0.00 C ATOM 1294 O GLU A 81 3.775 8.023 1.859 1.00 0.00 O ATOM 1295 CB GLU A 81 6.311 8.696 0.483 1.00 0.00 C ATOM 1296 CG GLU A 81 7.328 9.840 0.447 1.00 0.00 C ATOM 1297 CD GLU A 81 7.297 10.591 1.780 1.00 0.00 C ATOM 1298 OE1 GLU A 81 6.909 9.988 2.768 1.00 0.00 O ATOM 1299 OE2 GLU A 81 7.660 11.754 1.791 1.00 0.00 O ATOM 0 H GLU A 81 4.566 10.547 1.768 1.00 0.00 H new ATOM 0 HA GLU A 81 4.775 9.284 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.295 8.243 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.604 7.916 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.328 9.447 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.097 10.521 -0.372 1.00 0.00 H new ATOM 1306 N ARG A 82 2.984 7.785 -0.175 1.00 0.00 N ATOM 1307 CA ARG A 82 1.912 6.865 0.301 1.00 0.00 C ATOM 1308 C ARG A 82 1.845 5.625 -0.593 1.00 0.00 C ATOM 1309 O ARG A 82 2.572 5.503 -1.557 1.00 0.00 O ATOM 1310 CB ARG A 82 0.614 7.669 0.194 1.00 0.00 C ATOM 1311 CG ARG A 82 0.742 8.959 1.005 1.00 0.00 C ATOM 1312 CD ARG A 82 -0.448 9.082 1.959 1.00 0.00 C ATOM 1313 NE ARG A 82 0.149 9.050 3.323 1.00 0.00 N ATOM 1314 CZ ARG A 82 -0.456 8.411 4.286 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -0.373 7.111 4.359 1.00 0.00 N ATOM 1316 NH2 ARG A 82 -1.148 9.073 5.173 1.00 0.00 N ATOM 0 H ARG A 82 2.983 7.971 -1.178 1.00 0.00 H new ATOM 0 HA ARG A 82 2.092 6.518 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.404 7.903 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.224 7.077 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.675 8.956 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.776 9.819 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.996 10.009 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.154 8.264 1.817 1.00 0.00 H new ATOM 0 HE ARG A 82 1.032 9.528 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.165 6.594 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.846 6.611 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.215 10.089 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.621 8.574 5.926 1.00 0.00 H new ATOM 1330 N VAL A 83 0.975 4.706 -0.278 1.00 0.00 N ATOM 1331 CA VAL A 83 0.859 3.474 -1.109 1.00 0.00 C ATOM 1332 C VAL A 83 -0.437 3.504 -1.924 1.00 0.00 C ATOM 1333 O VAL A 83 -1.207 4.440 -1.846 1.00 0.00 O ATOM 1334 CB VAL A 83 0.841 2.324 -0.103 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -0.514 2.281 0.608 1.00 0.00 C ATOM 1336 CG2 VAL A 83 1.073 1.004 -0.841 1.00 0.00 C ATOM 0 H VAL A 83 0.339 4.754 0.518 1.00 0.00 H new ATOM 0 HA VAL A 83 1.676 3.376 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 83 1.629 2.475 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.523 1.460 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.680 3.222 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.306 2.131 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.061 0.181 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.284 0.856 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.039 1.033 -1.344 1.00 0.00 H new ATOM 1346 N THR A 84 -0.681 2.488 -2.706 1.00 0.00 N ATOM 1347 CA THR A 84 -1.927 2.462 -3.524 1.00 0.00 C ATOM 1348 C THR A 84 -3.151 2.263 -2.624 1.00 0.00 C ATOM 1349 O THR A 84 -4.275 2.481 -3.032 1.00 0.00 O ATOM 1350 CB THR A 84 -1.759 1.270 -4.466 1.00 0.00 C ATOM 1351 OG1 THR A 84 -2.879 1.198 -5.338 1.00 0.00 O ATOM 1352 CG2 THR A 84 -1.662 -0.021 -3.652 1.00 0.00 C ATOM 0 H THR A 84 -0.073 1.676 -2.814 1.00 0.00 H new ATOM 0 HA THR A 84 -2.081 3.394 -4.067 1.00 0.00 H new ATOM 0 HB THR A 84 -0.847 1.396 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.620 0.742 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.542 -0.869 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.803 0.034 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.571 -0.150 -3.065 1.00 0.00 H new ATOM 1360 N GLY A 85 -2.941 1.845 -1.407 1.00 0.00 N ATOM 1361 CA GLY A 85 -4.090 1.625 -0.483 1.00 0.00 C ATOM 1362 C GLY A 85 -4.442 2.932 0.231 1.00 0.00 C ATOM 1363 O GLY A 85 -5.250 2.956 1.140 1.00 0.00 O ATOM 0 H GLY A 85 -2.022 1.646 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.953 1.262 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.838 0.857 0.249 1.00 0.00 H new ATOM 1367 N GLU A 86 -3.846 4.018 -0.172 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.149 5.324 0.483 1.00 0.00 C ATOM 1369 C GLU A 86 -5.296 6.023 -0.254 1.00 0.00 C ATOM 1370 O GLU A 86 -5.624 5.686 -1.373 1.00 0.00 O ATOM 1371 CB GLU A 86 -2.850 6.124 0.370 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.137 7.614 0.575 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.527 7.865 2.034 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -2.888 7.294 2.903 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -4.457 8.621 2.256 1.00 0.00 O ATOM 0 H GLU A 86 -3.161 4.060 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.466 5.216 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.133 5.777 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.397 5.963 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.257 8.203 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.941 7.934 -0.087 1.00 0.00 H new ATOM 1382 N GLU A 87 -5.914 6.992 0.363 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.039 7.700 -0.312 1.00 0.00 C ATOM 1384 C GLU A 87 -7.174 9.124 0.231 1.00 0.00 C ATOM 1385 O GLU A 87 -6.750 9.423 1.330 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.283 6.875 0.024 1.00 0.00 C ATOM 1387 CG GLU A 87 -8.553 6.944 1.528 1.00 0.00 C ATOM 1388 CD GLU A 87 -9.657 5.952 1.896 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -9.335 4.800 2.137 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -10.807 6.361 1.932 1.00 0.00 O ATOM 0 H GLU A 87 -5.690 7.323 1.301 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.885 7.787 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.143 7.254 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.139 5.839 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.643 6.713 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.850 7.955 1.809 1.00 0.00 H new ATOM 1397 N TRP A 88 -7.765 10.006 -0.530 1.00 0.00 N ATOM 1398 CA TRP A 88 -7.928 11.409 -0.054 1.00 0.00 C ATOM 1399 C TRP A 88 -9.317 11.933 -0.448 1.00 0.00 C ATOM 1400 O TRP A 88 -9.864 11.566 -1.469 1.00 0.00 O ATOM 1401 CB TRP A 88 -6.779 12.192 -0.730 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.295 13.176 -1.741 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.093 12.871 -2.792 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.055 14.611 -1.813 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.360 14.031 -3.499 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -7.743 15.129 -2.936 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -6.314 15.506 -1.020 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -7.699 16.486 -3.259 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -6.267 16.871 -1.341 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -6.957 17.360 -2.459 1.00 0.00 C ATOM 0 H TRP A 88 -8.141 9.816 -1.459 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.873 11.509 1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.202 12.720 0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.100 11.493 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.460 11.886 -3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.943 14.069 -4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -5.777 15.140 -0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.234 16.858 -4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.696 17.549 -0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.915 18.411 -2.702 1.00 0.00 H new ATOM 1421 N LEU A 89 -9.886 12.785 0.357 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.235 13.333 0.036 1.00 0.00 C ATOM 1423 C LEU A 89 -11.093 14.763 -0.493 1.00 0.00 C ATOM 1424 O LEU A 89 -10.210 15.497 -0.092 1.00 0.00 O ATOM 1425 CB LEU A 89 -11.986 13.295 1.375 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.411 13.854 1.233 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.366 15.364 0.987 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.129 13.165 0.071 1.00 0.00 C ATOM 0 H LEU A 89 -9.475 13.127 1.226 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.763 12.771 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.030 12.269 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.438 13.875 2.118 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.955 13.661 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.382 15.747 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.873 15.855 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.811 15.567 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.138 13.567 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.580 13.344 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.182 12.093 0.260 1.00 0.00 H new ATOM 1440 N VAL A 90 -11.948 15.165 -1.392 1.00 0.00 N ATOM 1441 CA VAL A 90 -11.853 16.544 -1.946 1.00 0.00 C ATOM 1442 C VAL A 90 -12.945 17.432 -1.345 1.00 0.00 C ATOM 1443 O VAL A 90 -14.124 17.194 -1.530 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.059 16.380 -3.453 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.408 17.735 -4.075 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -10.771 15.849 -4.085 1.00 0.00 C ATOM 0 H VAL A 90 -12.708 14.598 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.899 17.018 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 90 -12.873 15.678 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.554 17.616 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.324 18.117 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.595 18.438 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.915 15.731 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.959 16.553 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.520 14.884 -3.644 1.00 0.00 H new ATOM 1456 N THR A 91 -12.558 18.455 -0.634 1.00 0.00 N ATOM 1457 CA THR A 91 -13.565 19.369 -0.022 1.00 0.00 C ATOM 1458 C THR A 91 -13.311 20.808 -0.482 1.00 0.00 C ATOM 1459 O THR A 91 -14.017 21.723 -0.110 1.00 0.00 O ATOM 1460 CB THR A 91 -13.359 19.243 1.492 1.00 0.00 C ATOM 1461 OG1 THR A 91 -12.234 18.414 1.755 1.00 0.00 O ATOM 1462 CG2 THR A 91 -14.607 18.629 2.126 1.00 0.00 C ATOM 0 H THR A 91 -11.585 18.699 -0.450 1.00 0.00 H new ATOM 0 HA THR A 91 -14.584 19.114 -0.311 1.00 0.00 H new ATOM 0 HB THR A 91 -13.184 20.231 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 91 -12.104 18.337 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.461 18.539 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.468 19.268 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.783 17.641 1.700 1.00 0.00 H new ATOM 1470 N THR A 92 -12.306 21.009 -1.292 1.00 0.00 N ATOM 1471 CA THR A 92 -12.003 22.384 -1.784 1.00 0.00 C ATOM 1472 C THR A 92 -12.932 22.744 -2.944 1.00 0.00 C ATOM 1473 O THR A 92 -13.660 21.912 -3.449 1.00 0.00 O ATOM 1474 CB THR A 92 -10.553 22.321 -2.267 1.00 0.00 C ATOM 1475 OG1 THR A 92 -9.831 21.391 -1.475 1.00 0.00 O ATOM 1476 CG2 THR A 92 -9.912 23.705 -2.147 1.00 0.00 C ATOM 0 H THR A 92 -11.681 20.279 -1.634 1.00 0.00 H new ATOM 0 HA THR A 92 -12.145 23.139 -1.011 1.00 0.00 H new ATOM 0 HB THR A 92 -10.531 22.003 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.902 21.349 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 92 -8.879 23.659 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 92 -10.467 24.417 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 92 -9.933 24.027 -1.106 1.00 0.00 H new ATOM 1484 N VAL A 93 -12.913 23.975 -3.376 1.00 0.00 N ATOM 1485 CA VAL A 93 -13.794 24.377 -4.507 1.00 0.00 C ATOM 1486 C VAL A 93 -13.097 24.092 -5.842 1.00 0.00 C ATOM 1487 O VAL A 93 -11.912 23.831 -5.891 1.00 0.00 O ATOM 1488 CB VAL A 93 -14.019 25.878 -4.324 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -15.146 26.338 -5.249 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -14.407 26.159 -2.870 1.00 0.00 C ATOM 0 H VAL A 93 -12.327 24.718 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.735 23.827 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.104 26.418 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -15.308 27.408 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.873 26.134 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -16.061 25.800 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -14.568 27.229 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -15.323 25.621 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.606 25.828 -2.209 1.00 0.00 H new ATOM 1500 N GLY A 94 -13.826 24.134 -6.924 1.00 0.00 N ATOM 1501 CA GLY A 94 -13.206 23.861 -8.252 1.00 0.00 C ATOM 1502 C GLY A 94 -14.212 23.112 -9.123 1.00 0.00 C ATOM 1503 O GLY A 94 -14.202 23.207 -10.333 1.00 0.00 O ATOM 0 H GLY A 94 -14.824 24.345 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.915 24.796 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.299 23.269 -8.130 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.088 22.372 -8.510 1.00 0.00 N ATOM 1508 CA ALA A 95 -16.109 21.621 -9.289 1.00 0.00 C ATOM 1509 C ALA A 95 -15.443 20.665 -10.286 1.00 0.00 C ATOM 1510 O ALA A 95 -16.083 20.149 -11.173 1.00 0.00 O ATOM 1511 CB ALA A 95 -16.908 22.700 -10.022 1.00 0.00 C ATOM 0 H ALA A 95 -15.142 22.254 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.740 21.002 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.686 22.231 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -17.366 23.371 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.242 23.269 -10.671 1.00 0.00 H new ATOM 1517 N TYR A 96 -14.169 20.415 -10.140 1.00 0.00 N ATOM 1518 CA TYR A 96 -13.477 19.481 -11.079 1.00 0.00 C ATOM 1519 C TYR A 96 -11.997 19.345 -10.713 1.00 0.00 C ATOM 1520 O TYR A 96 -11.148 20.028 -11.253 1.00 0.00 O ATOM 1521 CB TYR A 96 -13.619 20.107 -12.468 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.286 19.073 -13.518 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.774 17.766 -13.395 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.486 19.422 -14.613 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.462 16.809 -14.368 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.176 18.465 -15.586 1.00 0.00 C ATOM 1527 CZ TYR A 96 -12.663 17.159 -15.464 1.00 0.00 C ATOM 1528 OH TYR A 96 -12.356 16.216 -16.424 1.00 0.00 O ATOM 0 H TYR A 96 -13.577 20.816 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.911 18.482 -11.036 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.635 20.474 -12.612 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.954 20.965 -12.562 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.391 17.497 -12.550 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.108 20.429 -14.707 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.837 15.801 -14.274 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.561 18.735 -16.431 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.794 16.624 -17.116 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.680 18.460 -9.810 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.254 18.268 -9.418 1.00 0.00 C ATOM 1540 C LEU A 97 -9.900 16.778 -9.485 1.00 0.00 C ATOM 1541 O LEU A 97 -9.909 16.093 -8.482 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.158 18.787 -7.983 1.00 0.00 C ATOM 1543 CG LEU A 97 -10.322 20.309 -7.976 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -10.234 20.828 -6.539 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.212 20.947 -8.815 1.00 0.00 C ATOM 0 H LEU A 97 -12.347 17.860 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.563 18.793 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.929 18.325 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.196 18.513 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.293 20.569 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.351 21.912 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.024 20.376 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.264 20.567 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.329 22.031 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.241 20.685 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.274 20.580 -9.840 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.608 16.328 -10.676 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.259 14.901 -10.889 1.00 0.00 C ATOM 1559 C PRO A 98 -7.874 14.590 -10.318 1.00 0.00 C ATOM 1560 O PRO A 98 -6.958 15.383 -10.413 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.267 14.753 -12.409 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.008 16.130 -12.933 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.571 17.098 -11.923 1.00 0.00 C ATOM 0 HA PRO A 98 -9.947 14.216 -10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.500 14.053 -12.742 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.224 14.369 -12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.940 16.295 -13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.481 16.268 -13.905 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.944 17.984 -11.827 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.565 17.441 -12.210 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.717 13.438 -9.728 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.391 13.070 -9.154 1.00 0.00 C ATOM 1573 C ALA A 99 -5.504 12.458 -10.240 1.00 0.00 C ATOM 1574 O ALA A 99 -5.782 12.570 -11.417 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.704 12.038 -8.069 1.00 0.00 C ATOM 0 H ALA A 99 -8.448 12.735 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.856 13.931 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.777 11.715 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.357 12.485 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.201 11.178 -8.517 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.439 11.811 -9.855 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.537 11.193 -10.868 1.00 0.00 C ATOM 1583 C VAL A 100 -3.651 9.667 -10.817 1.00 0.00 C ATOM 1584 O VAL A 100 -4.059 9.034 -11.769 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.130 11.642 -10.474 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.146 11.255 -11.576 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.114 13.161 -10.287 1.00 0.00 C ATOM 0 H VAL A 100 -4.154 11.683 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.789 11.495 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.841 11.157 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.142 11.575 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.158 10.173 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.435 11.740 -12.508 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.111 13.482 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.402 13.645 -11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.817 13.438 -9.502 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.294 9.073 -9.711 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.384 7.588 -9.599 1.00 0.00 C ATOM 1599 C PHE A 101 -4.678 7.190 -8.890 1.00 0.00 C ATOM 1600 O PHE A 101 -5.260 6.159 -9.165 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.179 7.180 -8.752 1.00 0.00 C ATOM 1602 CG PHE A 101 -0.972 6.977 -9.633 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -0.947 5.919 -10.546 1.00 0.00 C ATOM 1604 CD2 PHE A 101 0.125 7.839 -9.531 1.00 0.00 C ATOM 1605 CE1 PHE A 101 0.177 5.722 -11.355 1.00 0.00 C ATOM 1606 CE2 PHE A 101 1.247 7.645 -10.339 1.00 0.00 C ATOM 1607 CZ PHE A 101 1.275 6.586 -11.251 1.00 0.00 C ATOM 0 H PHE A 101 -2.944 9.551 -8.880 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.386 7.103 -10.575 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.971 7.949 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.401 6.262 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.794 5.254 -10.627 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.104 8.657 -8.826 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.198 4.904 -12.060 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.092 8.312 -10.259 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.143 6.434 -11.875 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.126 7.995 -7.968 1.00 0.00 N ATOM 1618 CA GLU A 102 -6.375 7.663 -7.227 1.00 0.00 C ATOM 1619 C GLU A 102 -7.606 8.048 -8.061 1.00 0.00 C ATOM 1620 O GLU A 102 -7.551 8.925 -8.900 1.00 0.00 O ATOM 1621 CB GLU A 102 -6.263 8.471 -5.918 1.00 0.00 C ATOM 1622 CG GLU A 102 -7.454 9.422 -5.736 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.109 10.466 -4.674 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -7.260 10.164 -3.501 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -6.701 11.552 -5.050 1.00 0.00 O ATOM 0 H GLU A 102 -4.680 8.871 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.492 6.599 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.211 7.787 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.336 9.045 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.691 9.912 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.340 8.861 -5.437 1.00 0.00 H new ATOM 1632 N GLU A 103 -8.714 7.393 -7.837 1.00 0.00 N ATOM 1633 CA GLU A 103 -9.945 7.716 -8.615 1.00 0.00 C ATOM 1634 C GLU A 103 -11.128 7.953 -7.671 1.00 0.00 C ATOM 1635 O GLU A 103 -11.037 7.741 -6.477 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.193 6.486 -9.488 1.00 0.00 C ATOM 1637 CG GLU A 103 -9.022 6.305 -10.457 1.00 0.00 C ATOM 1638 CD GLU A 103 -9.518 5.640 -11.743 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -10.722 5.596 -11.937 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -8.686 5.185 -12.511 1.00 0.00 O ATOM 0 H GLU A 103 -8.820 6.648 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.831 8.623 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.303 5.599 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.124 6.602 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.573 7.272 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.246 5.694 -9.996 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.238 8.399 -8.198 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.426 8.657 -7.335 1.00 0.00 C ATOM 1649 C VAL A 104 -14.340 7.431 -7.295 1.00 0.00 C ATOM 1650 O VAL A 104 -14.521 6.744 -8.280 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.147 9.830 -7.995 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -14.492 9.469 -9.441 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.435 10.132 -7.225 1.00 0.00 C ATOM 0 H VAL A 104 -12.372 8.596 -9.190 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.141 8.873 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.500 10.707 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.007 10.306 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.576 9.251 -9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.139 8.592 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.952 10.969 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.081 9.254 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.191 10.388 -6.194 1.00 0.00 H new ATOM 1663 N LEU A 105 -14.921 7.160 -6.160 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.831 5.983 -6.046 1.00 0.00 C ATOM 1665 C LEU A 105 -17.285 6.462 -5.976 1.00 0.00 C ATOM 1666 O LEU A 105 -18.209 5.719 -6.237 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.431 5.286 -4.742 1.00 0.00 C ATOM 1668 CG LEU A 105 -13.910 5.338 -4.567 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.533 6.567 -3.735 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.436 4.074 -3.850 1.00 0.00 C ATOM 0 H LEU A 105 -14.806 7.703 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.750 5.310 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.920 5.770 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.769 4.250 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.434 5.401 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.451 6.604 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.871 7.469 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.009 6.504 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.354 4.111 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.912 4.011 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.704 3.198 -4.441 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.486 7.704 -5.627 1.00 0.00 N ATOM 1683 CA ASP A 106 -18.871 8.250 -5.536 1.00 0.00 C ATOM 1684 C ASP A 106 -18.822 9.754 -5.240 1.00 0.00 C ATOM 1685 O ASP A 106 -17.854 10.257 -4.705 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.521 7.494 -4.376 1.00 0.00 C ATOM 1687 CG ASP A 106 -18.661 7.650 -3.121 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -18.347 8.778 -2.777 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -18.330 6.638 -2.525 1.00 0.00 O ATOM 0 H ASP A 106 -16.746 8.368 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.429 8.125 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.524 7.880 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.626 6.439 -4.629 1.00 0.00 H new ATOM 1694 N LEU A 107 -19.856 10.474 -5.586 1.00 0.00 N ATOM 1695 CA LEU A 107 -19.863 11.944 -5.326 1.00 0.00 C ATOM 1696 C LEU A 107 -20.824 12.278 -4.181 1.00 0.00 C ATOM 1697 O LEU A 107 -21.849 11.647 -4.014 1.00 0.00 O ATOM 1698 CB LEU A 107 -20.354 12.575 -6.632 1.00 0.00 C ATOM 1699 CG LEU A 107 -19.397 12.210 -7.769 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -20.014 11.099 -8.622 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -19.154 13.446 -8.639 1.00 0.00 C ATOM 0 H LEU A 107 -20.695 10.109 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.880 12.314 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.360 12.223 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.412 13.658 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.451 11.862 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.331 10.840 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.192 10.220 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.959 11.444 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.473 13.191 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -20.101 13.790 -9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.715 14.238 -8.032 1.00 0.00 H new ATOM 1713 N VAL A 108 -20.504 13.269 -3.391 1.00 0.00 N ATOM 1714 CA VAL A 108 -21.405 13.642 -2.260 1.00 0.00 C ATOM 1715 C VAL A 108 -21.586 15.162 -2.219 1.00 0.00 C ATOM 1716 O VAL A 108 -20.792 15.903 -2.760 1.00 0.00 O ATOM 1717 CB VAL A 108 -20.688 13.149 -1.003 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -19.426 13.981 -0.776 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -21.616 13.291 0.207 1.00 0.00 C ATOM 0 H VAL A 108 -19.660 13.835 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.399 13.204 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.416 12.101 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.915 13.630 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.763 13.879 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.699 15.029 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.103 12.939 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.890 14.338 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.516 12.697 0.047 1.00 0.00 H new ATOM 1729 N ASP A 109 -22.625 15.633 -1.587 1.00 0.00 N ATOM 1730 CA ASP A 109 -22.847 17.107 -1.518 1.00 0.00 C ATOM 1731 C ASP A 109 -22.624 17.607 -0.087 1.00 0.00 C ATOM 1732 O ASP A 109 -23.217 17.112 0.851 1.00 0.00 O ATOM 1733 CB ASP A 109 -24.302 17.308 -1.937 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.225 16.715 -0.873 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.265 15.501 -0.762 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -25.878 17.484 -0.186 1.00 0.00 O ATOM 0 H ASP A 109 -23.329 15.064 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.160 17.660 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -24.512 18.370 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -24.484 16.829 -2.899 1.00 0.00 H new ATOM 1741 N ALA A 110 -21.771 18.580 0.089 1.00 0.00 N ATOM 1742 CA ALA A 110 -21.512 19.105 1.462 1.00 0.00 C ATOM 1743 C ALA A 110 -22.827 19.256 2.233 1.00 0.00 C ATOM 1744 O ALA A 110 -23.864 19.533 1.662 1.00 0.00 O ATOM 1745 CB ALA A 110 -20.855 20.468 1.247 1.00 0.00 C ATOM 0 H ALA A 110 -21.243 19.034 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 110 -20.881 18.435 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -20.632 20.921 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -19.930 20.341 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -21.533 21.115 0.690 1.00 0.00 H new ATOM 1751 N VAL A 111 -22.793 19.074 3.525 1.00 0.00 N ATOM 1752 CA VAL A 111 -24.043 19.205 4.331 1.00 0.00 C ATOM 1753 C VAL A 111 -23.705 19.508 5.794 1.00 0.00 C ATOM 1754 O VAL A 111 -24.270 18.934 6.703 1.00 0.00 O ATOM 1755 CB VAL A 111 -24.730 17.845 4.214 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -23.862 16.776 4.878 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -26.092 17.899 4.911 1.00 0.00 C ATOM 0 H VAL A 111 -21.955 18.840 4.058 1.00 0.00 H new ATOM 0 HA VAL A 111 -24.677 20.018 3.978 1.00 0.00 H new ATOM 0 HB VAL A 111 -24.869 17.599 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -24.352 15.806 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -22.892 16.736 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -23.723 17.023 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -26.582 16.929 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -25.953 18.146 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -26.712 18.661 4.439 1.00 0.00 H new ATOM 1767 N ILE A 112 -22.785 20.405 6.026 1.00 0.00 N ATOM 1768 CA ILE A 112 -22.410 20.743 7.430 1.00 0.00 C ATOM 1769 C ILE A 112 -22.640 22.233 7.696 1.00 0.00 C ATOM 1770 O ILE A 112 -22.556 23.053 6.803 1.00 0.00 O ATOM 1771 CB ILE A 112 -20.924 20.396 7.535 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -20.382 20.863 8.889 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -20.157 21.095 6.411 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -19.338 19.863 9.389 1.00 0.00 C ATOM 0 H ILE A 112 -22.277 20.918 5.305 1.00 0.00 H new ATOM 0 HA ILE A 112 -23.007 20.199 8.162 1.00 0.00 H new ATOM 0 HB ILE A 112 -20.797 19.317 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -19.937 21.853 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -21.195 20.947 9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -19.098 20.848 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -20.541 20.762 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -20.285 22.174 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -18.950 20.193 10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -19.798 18.881 9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -18.520 19.801 8.671 1.00 0.00 H new ATOM 1786 N LEU A 113 -22.933 22.591 8.917 1.00 0.00 N ATOM 1787 CA LEU A 113 -23.172 24.028 9.240 1.00 0.00 C ATOM 1788 C LEU A 113 -24.026 24.680 8.150 1.00 0.00 C ATOM 1789 O LEU A 113 -23.491 25.488 7.409 1.00 0.00 O ATOM 1790 CB LEU A 113 -21.782 24.663 9.284 1.00 0.00 C ATOM 1791 CG LEU A 113 -21.629 25.463 10.579 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -20.143 25.676 10.878 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -22.316 26.822 10.420 1.00 0.00 C ATOM 1794 OXT LEU A 113 -25.202 24.360 8.077 1.00 0.00 O ATOM 0 H LEU A 113 -23.017 21.950 9.706 1.00 0.00 H new ATOM 0 HA LEU A 113 -23.707 24.155 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -21.015 23.890 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -21.641 25.315 8.422 1.00 0.00 H new ATOM 0 HG LEU A 113 -22.089 24.914 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -20.036 26.246 11.801 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -19.652 24.709 10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -19.682 26.225 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -22.208 27.394 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -21.855 27.369 9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -23.375 26.672 10.208 1.00 0.00 H new TER 1806 LEU A 113