USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 TYR OH : rot 30:sc= -0.676 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=0.000101 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.154 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 18:sc= -0.516 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 40 LYS NZ :NH3+ 167:sc=-0.00677 (180deg=-0.124) USER MOD Single : A 43 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 159:sc= 0.114 USER MOD Single : A 56 THR OG1 : rot -149:sc= -0.735 USER MOD Single : A 65 SER OG : rot 95:sc= 0.107 USER MOD Single : A 66 GLN : amide:sc= -1.96 K(o=-2,f=-3.2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.649 F(o=-2,f=-0.65) USER MOD Single : A 76 SER OG : rot 37:sc= 0.895 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0048 USER MOD Single : A 98 SER OG : rot 52:sc= 0.346 USER MOD Single : A 100 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.48) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.558 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 167:sc= -2.65 (180deg=-3.59) USER MOD Single : A 130 SER OG : rot 81:sc= 0.0444 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 3.945 0.438 -2.286 1.00 0.00 N ATOM 19 CA LEU A 2 5.352 0.295 -1.926 1.00 0.00 C ATOM 20 C LEU A 2 5.960 1.646 -1.560 1.00 0.00 C ATOM 21 O LEU A 2 5.276 2.670 -1.573 1.00 0.00 O ATOM 22 CB LEU A 2 6.134 -0.333 -3.080 1.00 0.00 C ATOM 23 CG LEU A 2 6.581 -1.781 -2.879 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.796 -2.465 -4.220 1.00 0.00 C ATOM 25 CD2 LEU A 2 7.849 -1.836 -2.040 1.00 0.00 C ATOM 0 HA LEU A 2 5.414 -0.359 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.518 -0.285 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.018 0.276 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 2 5.793 -2.313 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.114 -3.495 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.864 -2.458 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.564 -1.933 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.153 -2.874 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.644 -1.287 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.660 -1.386 -1.065 1.00 0.00 H new ATOM 37 N LEU A 3 7.248 1.640 -1.236 1.00 0.00 N ATOM 38 CA LEU A 3 7.950 2.865 -0.868 1.00 0.00 C ATOM 39 C LEU A 3 9.250 3.004 -1.653 1.00 0.00 C ATOM 40 O LEU A 3 10.185 3.674 -1.212 1.00 0.00 O ATOM 41 CB LEU A 3 8.243 2.878 0.633 1.00 0.00 C ATOM 42 CG LEU A 3 7.686 4.068 1.415 1.00 0.00 C ATOM 43 CD1 LEU A 3 6.302 3.750 1.958 1.00 0.00 C ATOM 44 CD2 LEU A 3 8.630 4.451 2.546 1.00 0.00 C ATOM 0 H LEU A 3 7.828 0.801 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 3 7.307 3.710 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.843 1.963 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.324 2.851 0.772 1.00 0.00 H new ATOM 0 HG LEU A 3 7.601 4.916 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.922 4.609 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.629 3.525 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.361 2.888 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.218 5.300 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.747 3.606 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.601 4.722 2.133 1.00 0.00 H new ATOM 56 N ILE A 4 9.303 2.368 -2.819 1.00 0.00 N ATOM 57 CA ILE A 4 10.487 2.423 -3.666 1.00 0.00 C ATOM 58 C ILE A 4 10.177 3.088 -5.003 1.00 0.00 C ATOM 59 O ILE A 4 9.014 3.306 -5.346 1.00 0.00 O ATOM 60 CB ILE A 4 11.060 1.017 -3.925 1.00 0.00 C ATOM 61 CG1 ILE A 4 10.024 0.144 -4.636 1.00 0.00 C ATOM 62 CG2 ILE A 4 11.496 0.373 -2.618 1.00 0.00 C ATOM 63 CD1 ILE A 4 10.599 -1.135 -5.204 1.00 0.00 C ATOM 0 H ILE A 4 8.539 1.809 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 4 11.229 3.016 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 4 11.934 1.110 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.228 -0.105 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.569 0.718 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.899 -0.620 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 4 12.264 0.988 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.639 0.289 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.808 -1.704 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.375 -0.894 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.028 -1.730 -4.398 1.00 0.00 H new ATOM 75 N THR A 5 11.224 3.407 -5.757 1.00 0.00 N ATOM 76 CA THR A 5 11.064 4.046 -7.057 1.00 0.00 C ATOM 77 C THR A 5 11.489 3.113 -8.184 1.00 0.00 C ATOM 78 O THR A 5 12.231 2.151 -7.980 1.00 0.00 O ATOM 79 CB THR A 5 11.882 5.348 -7.147 1.00 0.00 C ATOM 80 OG1 THR A 5 13.075 5.232 -6.364 1.00 0.00 O ATOM 81 CG2 THR A 5 11.064 6.536 -6.662 1.00 0.00 C ATOM 0 H THR A 5 12.193 3.233 -5.489 1.00 0.00 H new ATOM 0 HA THR A 5 10.005 4.283 -7.165 1.00 0.00 H new ATOM 0 HB THR A 5 12.148 5.513 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.590 6.063 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.663 7.444 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.171 6.639 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.771 6.377 -5.624 1.00 0.00 H new ATOM 89 N PRO A 6 11.011 3.400 -9.404 1.00 0.00 N ATOM 90 CA PRO A 6 11.330 2.598 -10.589 1.00 0.00 C ATOM 91 C PRO A 6 12.786 2.750 -11.017 1.00 0.00 C ATOM 92 O PRO A 6 13.410 1.795 -11.479 1.00 0.00 O ATOM 93 CB PRO A 6 10.396 3.163 -11.661 1.00 0.00 C ATOM 94 CG PRO A 6 10.116 4.559 -11.224 1.00 0.00 C ATOM 95 CD PRO A 6 10.122 4.530 -9.720 1.00 0.00 C ATOM 0 HA PRO A 6 11.197 1.531 -10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.865 3.143 -12.645 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.478 2.580 -11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.872 5.246 -11.604 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.154 4.902 -11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.496 5.465 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.121 4.378 -9.317 1.00 0.00 H new ATOM 103 N ASP A 7 13.321 3.956 -10.859 1.00 0.00 N ATOM 104 CA ASP A 7 14.704 4.233 -11.228 1.00 0.00 C ATOM 105 C ASP A 7 15.665 3.361 -10.426 1.00 0.00 C ATOM 106 O ASP A 7 16.725 2.974 -10.918 1.00 0.00 O ATOM 107 CB ASP A 7 15.029 5.710 -11.004 1.00 0.00 C ATOM 108 CG ASP A 7 13.908 6.625 -11.459 1.00 0.00 C ATOM 109 OD1 ASP A 7 12.880 6.700 -10.754 1.00 0.00 O ATOM 110 OD2 ASP A 7 14.060 7.265 -12.520 1.00 0.00 O ATOM 0 H ASP A 7 12.818 4.757 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 7 14.825 3.999 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.225 5.879 -9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.942 5.964 -11.542 1.00 0.00 H new ATOM 115 N GLU A 8 15.288 3.057 -9.188 1.00 0.00 N ATOM 116 CA GLU A 8 16.118 2.232 -8.317 1.00 0.00 C ATOM 117 C GLU A 8 16.101 0.775 -8.770 1.00 0.00 C ATOM 118 O GLU A 8 17.118 0.083 -8.711 1.00 0.00 O ATOM 119 CB GLU A 8 15.635 2.333 -6.869 1.00 0.00 C ATOM 120 CG GLU A 8 16.700 2.828 -5.905 1.00 0.00 C ATOM 121 CD GLU A 8 17.918 1.925 -5.869 1.00 0.00 C ATOM 122 OE1 GLU A 8 19.008 2.385 -6.271 1.00 0.00 O ATOM 123 OE2 GLU A 8 17.782 0.760 -5.440 1.00 0.00 O ATOM 0 H GLU A 8 14.414 3.369 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 8 17.142 2.601 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.778 3.005 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.288 1.353 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.006 3.834 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.275 2.898 -4.904 1.00 0.00 H new ATOM 130 N LEU A 9 14.940 0.316 -9.222 1.00 0.00 N ATOM 131 CA LEU A 9 14.789 -1.059 -9.685 1.00 0.00 C ATOM 132 C LEU A 9 15.840 -1.399 -10.736 1.00 0.00 C ATOM 133 O LEU A 9 16.513 -2.426 -10.649 1.00 0.00 O ATOM 134 CB LEU A 9 13.388 -1.274 -10.261 1.00 0.00 C ATOM 135 CG LEU A 9 13.218 -2.483 -11.182 1.00 0.00 C ATOM 136 CD1 LEU A 9 13.584 -3.765 -10.451 1.00 0.00 C ATOM 137 CD2 LEU A 9 11.793 -2.555 -11.709 1.00 0.00 C ATOM 0 H LEU A 9 14.089 0.876 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 9 14.929 -1.721 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.688 -1.373 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.103 -0.379 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 9 13.892 -2.368 -12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.457 -4.615 -11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.622 -3.713 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.935 -3.887 -9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.690 -3.421 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.100 -2.647 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.566 -1.648 -12.270 1.00 0.00 H new ATOM 149 N LYS A 10 15.979 -0.527 -11.730 1.00 0.00 N ATOM 150 CA LYS A 10 16.951 -0.731 -12.797 1.00 0.00 C ATOM 151 C LYS A 10 18.373 -0.534 -12.283 1.00 0.00 C ATOM 152 O LYS A 10 19.312 -1.163 -12.770 1.00 0.00 O ATOM 153 CB LYS A 10 16.678 0.233 -13.954 1.00 0.00 C ATOM 154 CG LYS A 10 16.572 1.685 -13.524 1.00 0.00 C ATOM 155 CD LYS A 10 16.494 2.618 -14.721 1.00 0.00 C ATOM 156 CE LYS A 10 15.054 2.855 -15.150 1.00 0.00 C ATOM 157 NZ LYS A 10 14.942 3.984 -16.115 1.00 0.00 N ATOM 0 H LYS A 10 15.430 0.328 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 10 16.851 -1.756 -13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.476 0.138 -14.691 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.752 -0.059 -14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.688 1.817 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.435 1.948 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.962 3.570 -14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.057 2.193 -15.552 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.656 1.948 -15.605 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.443 3.066 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.946 4.114 -16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.298 4.855 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.504 3.772 -16.964 1.00 0.00 H new ATOM 171 N SER A 11 18.524 0.341 -11.293 1.00 0.00 N ATOM 172 CA SER A 11 19.833 0.621 -10.714 1.00 0.00 C ATOM 173 C SER A 11 20.450 -0.645 -10.128 1.00 0.00 C ATOM 174 O SER A 11 21.657 -0.867 -10.235 1.00 0.00 O ATOM 175 CB SER A 11 19.714 1.694 -9.629 1.00 0.00 C ATOM 176 OG SER A 11 20.852 2.538 -9.621 1.00 0.00 O ATOM 0 H SER A 11 17.757 0.868 -10.876 1.00 0.00 H new ATOM 0 HA SER A 11 20.484 0.987 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.817 2.289 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 11 19.602 1.219 -8.654 1.00 0.00 H new ATOM 0 HG SER A 11 20.751 3.216 -8.921 1.00 0.00 H new ATOM 182 N TYR A 12 19.615 -1.471 -9.509 1.00 0.00 N ATOM 183 CA TYR A 12 20.078 -2.714 -8.904 1.00 0.00 C ATOM 184 C TYR A 12 19.934 -3.880 -9.877 1.00 0.00 C ATOM 185 O TYR A 12 20.871 -4.653 -10.080 1.00 0.00 O ATOM 186 CB TYR A 12 19.294 -3.005 -7.623 1.00 0.00 C ATOM 187 CG TYR A 12 19.566 -4.375 -7.044 1.00 0.00 C ATOM 188 CD1 TYR A 12 20.608 -4.577 -6.147 1.00 0.00 C ATOM 189 CD2 TYR A 12 18.782 -5.467 -7.395 1.00 0.00 C ATOM 190 CE1 TYR A 12 20.861 -5.827 -5.617 1.00 0.00 C ATOM 191 CE2 TYR A 12 19.027 -6.720 -6.868 1.00 0.00 C ATOM 192 CZ TYR A 12 20.067 -6.895 -5.979 1.00 0.00 C ATOM 193 OH TYR A 12 20.315 -8.143 -5.453 1.00 0.00 O ATOM 0 H TYR A 12 18.614 -1.303 -9.413 1.00 0.00 H new ATOM 0 HA TYR A 12 21.133 -2.598 -8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 12 19.540 -2.249 -6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 12 18.228 -2.913 -7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.230 -3.743 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 12 17.967 -5.334 -8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 12 21.676 -5.967 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.408 -7.558 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 12 20.704 -8.050 -4.559 1.00 0.00 H new ATOM 203 N SER A 13 18.754 -4.000 -10.477 1.00 0.00 N ATOM 204 CA SER A 13 18.485 -5.073 -11.427 1.00 0.00 C ATOM 205 C SER A 13 19.560 -5.124 -12.508 1.00 0.00 C ATOM 206 O SER A 13 20.097 -4.094 -12.914 1.00 0.00 O ATOM 207 CB SER A 13 17.109 -4.882 -12.068 1.00 0.00 C ATOM 208 OG SER A 13 16.827 -5.921 -12.989 1.00 0.00 O ATOM 0 H SER A 13 17.969 -3.367 -10.322 1.00 0.00 H new ATOM 0 HA SER A 13 18.497 -6.018 -10.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.343 -4.861 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.072 -3.920 -12.578 1.00 0.00 H new ATOM 0 HG SER A 13 15.942 -5.777 -13.384 1.00 0.00 H new ATOM 214 N VAL A 14 19.870 -6.332 -12.969 1.00 0.00 N ATOM 215 CA VAL A 14 20.880 -6.519 -14.004 1.00 0.00 C ATOM 216 C VAL A 14 20.235 -6.714 -15.372 1.00 0.00 C ATOM 217 O VAL A 14 20.856 -6.459 -16.404 1.00 0.00 O ATOM 218 CB VAL A 14 21.781 -7.729 -13.696 1.00 0.00 C ATOM 219 CG1 VAL A 14 22.437 -7.573 -12.332 1.00 0.00 C ATOM 220 CG2 VAL A 14 20.981 -9.021 -13.767 1.00 0.00 C ATOM 0 H VAL A 14 19.436 -7.195 -12.642 1.00 0.00 H new ATOM 0 HA VAL A 14 21.490 -5.616 -14.019 1.00 0.00 H new ATOM 0 HB VAL A 14 22.568 -7.774 -14.448 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.070 -8.438 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 14 23.045 -6.668 -12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 14 21.667 -7.501 -11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.634 -9.866 -13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.171 -8.988 -13.038 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.564 -9.136 -14.767 1.00 0.00 H new ATOM 230 N PHE A 15 18.986 -7.168 -15.372 1.00 0.00 N ATOM 231 CA PHE A 15 18.257 -7.399 -16.614 1.00 0.00 C ATOM 232 C PHE A 15 18.096 -6.100 -17.399 1.00 0.00 C ATOM 233 O PHE A 15 17.387 -5.189 -16.972 1.00 0.00 O ATOM 234 CB PHE A 15 16.883 -8.003 -16.318 1.00 0.00 C ATOM 235 CG PHE A 15 16.807 -9.479 -16.586 1.00 0.00 C ATOM 236 CD1 PHE A 15 16.345 -9.952 -17.803 1.00 0.00 C ATOM 237 CD2 PHE A 15 17.196 -10.392 -15.620 1.00 0.00 C ATOM 238 CE1 PHE A 15 16.274 -11.310 -18.053 1.00 0.00 C ATOM 239 CE2 PHE A 15 17.128 -11.751 -15.864 1.00 0.00 C ATOM 240 CZ PHE A 15 16.665 -12.210 -17.082 1.00 0.00 C ATOM 0 H PHE A 15 18.458 -7.383 -14.526 1.00 0.00 H new ATOM 0 HA PHE A 15 18.832 -8.100 -17.219 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.631 -7.818 -15.274 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.133 -7.493 -16.922 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.037 -9.252 -18.565 1.00 0.00 H new ATOM 0 HD2 PHE A 15 17.557 -10.038 -14.665 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.913 -11.666 -19.007 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.436 -12.453 -15.103 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.609 -13.271 -17.274 1.00 0.00 H new ATOM 250 N GLU A 16 18.760 -6.024 -18.548 1.00 0.00 N ATOM 251 CA GLU A 16 18.691 -4.837 -19.392 1.00 0.00 C ATOM 252 C GLU A 16 17.249 -4.531 -19.785 1.00 0.00 C ATOM 253 O GLU A 16 16.911 -3.393 -20.111 1.00 0.00 O ATOM 254 CB GLU A 16 19.544 -5.027 -20.648 1.00 0.00 C ATOM 255 CG GLU A 16 19.108 -6.201 -21.508 1.00 0.00 C ATOM 256 CD GLU A 16 20.096 -6.511 -22.616 1.00 0.00 C ATOM 257 OE1 GLU A 16 19.769 -6.248 -23.792 1.00 0.00 O ATOM 258 OE2 GLU A 16 21.194 -7.018 -22.307 1.00 0.00 O ATOM 0 H GLU A 16 19.351 -6.770 -18.915 1.00 0.00 H new ATOM 0 HA GLU A 16 19.080 -3.994 -18.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.505 -4.116 -21.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.583 -5.170 -20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.986 -7.082 -20.878 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.133 -5.984 -21.945 1.00 0.00 H new ATOM 265 N SER A 17 16.403 -5.555 -19.751 1.00 0.00 N ATOM 266 CA SER A 17 14.998 -5.398 -20.108 1.00 0.00 C ATOM 267 C SER A 17 14.285 -4.480 -19.120 1.00 0.00 C ATOM 268 O SER A 17 13.441 -3.670 -19.504 1.00 0.00 O ATOM 269 CB SER A 17 14.304 -6.761 -20.146 1.00 0.00 C ATOM 270 OG SER A 17 13.986 -7.135 -21.475 1.00 0.00 O ATOM 0 H SER A 17 16.666 -6.503 -19.480 1.00 0.00 H new ATOM 0 HA SER A 17 14.949 -4.945 -21.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.951 -7.515 -19.698 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.394 -6.726 -19.547 1.00 0.00 H new ATOM 0 HG SER A 17 13.545 -8.010 -21.472 1.00 0.00 H new ATOM 276 N VAL A 18 14.632 -4.612 -17.843 1.00 0.00 N ATOM 277 CA VAL A 18 14.028 -3.794 -16.798 1.00 0.00 C ATOM 278 C VAL A 18 14.579 -2.372 -16.826 1.00 0.00 C ATOM 279 O VAL A 18 13.872 -1.414 -16.513 1.00 0.00 O ATOM 280 CB VAL A 18 14.269 -4.399 -15.402 1.00 0.00 C ATOM 281 CG1 VAL A 18 13.585 -3.562 -14.332 1.00 0.00 C ATOM 282 CG2 VAL A 18 13.782 -5.840 -15.356 1.00 0.00 C ATOM 0 H VAL A 18 15.328 -5.278 -17.508 1.00 0.00 H new ATOM 0 HA VAL A 18 12.956 -3.769 -16.995 1.00 0.00 H new ATOM 0 HB VAL A 18 15.341 -4.395 -15.202 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.766 -4.005 -13.353 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.985 -2.548 -14.352 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.512 -3.532 -14.524 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.960 -6.253 -14.363 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.715 -5.871 -15.576 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.322 -6.430 -16.096 1.00 0.00 H new ATOM 292 N LYS A 19 15.846 -2.242 -17.202 1.00 0.00 N ATOM 293 CA LYS A 19 16.494 -0.938 -17.273 1.00 0.00 C ATOM 294 C LYS A 19 16.117 -0.212 -18.561 1.00 0.00 C ATOM 295 O LYS A 19 16.186 1.015 -18.638 1.00 0.00 O ATOM 296 CB LYS A 19 18.014 -1.095 -17.190 1.00 0.00 C ATOM 297 CG LYS A 19 18.480 -1.867 -15.968 1.00 0.00 C ATOM 298 CD LYS A 19 19.545 -2.890 -16.328 1.00 0.00 C ATOM 299 CE LYS A 19 20.757 -2.776 -15.416 1.00 0.00 C ATOM 300 NZ LYS A 19 21.872 -2.032 -16.065 1.00 0.00 N ATOM 0 H LYS A 19 16.446 -3.025 -17.463 1.00 0.00 H new ATOM 0 HA LYS A 19 16.150 -0.343 -16.427 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.368 -1.603 -18.087 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.473 -0.106 -17.182 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.877 -1.173 -15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.630 -2.372 -15.509 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.126 -3.894 -16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.853 -2.747 -17.364 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.471 -2.270 -14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 19 21.099 -3.774 -15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.679 -1.976 -15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 22.162 -2.528 -16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.554 -1.071 -16.306 1.00 0.00 H new ATOM 314 N THR A 20 15.715 -0.978 -19.570 1.00 0.00 N ATOM 315 CA THR A 20 15.326 -0.408 -20.854 1.00 0.00 C ATOM 316 C THR A 20 13.917 0.172 -20.795 1.00 0.00 C ATOM 317 O THR A 20 13.644 1.225 -21.371 1.00 0.00 O ATOM 318 CB THR A 20 15.389 -1.459 -21.978 1.00 0.00 C ATOM 319 OG1 THR A 20 14.841 -2.700 -21.519 1.00 0.00 O ATOM 320 CG2 THR A 20 16.823 -1.672 -22.440 1.00 0.00 C ATOM 0 H THR A 20 15.650 -1.995 -19.523 1.00 0.00 H new ATOM 0 HA THR A 20 16.036 0.390 -21.072 1.00 0.00 H new ATOM 0 HB THR A 20 14.803 -1.093 -22.821 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.295 -2.541 -20.721 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.842 -2.418 -23.234 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.228 -0.732 -22.816 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.428 -2.018 -21.602 1.00 0.00 H new ATOM 328 N ARG A 21 13.027 -0.522 -20.094 1.00 0.00 N ATOM 329 CA ARG A 21 11.645 -0.076 -19.960 1.00 0.00 C ATOM 330 C ARG A 21 11.583 1.335 -19.381 1.00 0.00 C ATOM 331 O ARG A 21 12.511 1.803 -18.722 1.00 0.00 O ATOM 332 CB ARG A 21 10.860 -1.039 -19.068 1.00 0.00 C ATOM 333 CG ARG A 21 9.951 -1.981 -19.841 1.00 0.00 C ATOM 334 CD ARG A 21 9.381 -3.068 -18.942 1.00 0.00 C ATOM 335 NE ARG A 21 7.921 -3.097 -18.977 1.00 0.00 N ATOM 336 CZ ARG A 21 7.175 -3.651 -18.028 1.00 0.00 C ATOM 337 NH1 ARG A 21 7.747 -4.218 -16.976 1.00 0.00 N ATOM 338 NH2 ARG A 21 5.852 -3.637 -18.131 1.00 0.00 N ATOM 0 H ARG A 21 13.238 -1.395 -19.610 1.00 0.00 H new ATOM 0 HA ARG A 21 11.196 -0.063 -20.953 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.562 -1.628 -18.478 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.258 -0.462 -18.366 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.136 -1.414 -20.290 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.509 -2.438 -20.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.770 -4.037 -19.253 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.716 -2.904 -17.918 1.00 0.00 H new ATOM 0 HE ARG A 21 7.449 -2.669 -19.773 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.764 -4.230 -16.893 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.171 -4.642 -16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.408 -3.201 -18.939 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.279 -4.063 -17.402 1.00 0.00 H new ATOM 352 N PRO A 22 10.463 2.029 -19.633 1.00 0.00 N ATOM 353 CA PRO A 22 10.253 3.396 -19.146 1.00 0.00 C ATOM 354 C PRO A 22 10.063 3.450 -17.634 1.00 0.00 C ATOM 355 O PRO A 22 10.205 2.440 -16.945 1.00 0.00 O ATOM 356 CB PRO A 22 8.973 3.834 -19.862 1.00 0.00 C ATOM 357 CG PRO A 22 8.252 2.565 -20.160 1.00 0.00 C ATOM 358 CD PRO A 22 9.316 1.534 -20.412 1.00 0.00 C ATOM 0 HA PRO A 22 11.111 4.037 -19.347 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.373 4.492 -19.233 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.199 4.385 -20.775 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.615 2.273 -19.325 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.605 2.679 -21.030 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.003 0.544 -20.081 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.555 1.454 -21.472 1.00 0.00 H new ATOM 366 N ASP A 23 9.742 4.634 -17.125 1.00 0.00 N ATOM 367 CA ASP A 23 9.531 4.819 -15.694 1.00 0.00 C ATOM 368 C ASP A 23 8.081 4.530 -15.317 1.00 0.00 C ATOM 369 O ASP A 23 7.804 4.004 -14.239 1.00 0.00 O ATOM 370 CB ASP A 23 9.903 6.244 -15.282 1.00 0.00 C ATOM 371 CG ASP A 23 9.311 7.288 -16.208 1.00 0.00 C ATOM 372 OD1 ASP A 23 10.020 7.729 -17.137 1.00 0.00 O ATOM 373 OD2 ASP A 23 8.138 7.664 -16.005 1.00 0.00 O ATOM 0 H ASP A 23 9.622 5.480 -17.682 1.00 0.00 H new ATOM 0 HA ASP A 23 10.173 4.116 -15.163 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.557 6.427 -14.265 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.988 6.345 -15.272 1.00 0.00 H new ATOM 378 N GLU A 24 7.161 4.878 -16.211 1.00 0.00 N ATOM 379 CA GLU A 24 5.740 4.657 -15.970 1.00 0.00 C ATOM 380 C GLU A 24 5.433 3.166 -15.859 1.00 0.00 C ATOM 381 O GLU A 24 4.679 2.739 -14.984 1.00 0.00 O ATOM 382 CB GLU A 24 4.907 5.279 -17.092 1.00 0.00 C ATOM 383 CG GLU A 24 5.285 4.782 -18.478 1.00 0.00 C ATOM 384 CD GLU A 24 4.554 5.521 -19.582 1.00 0.00 C ATOM 385 OE1 GLU A 24 3.403 5.142 -19.887 1.00 0.00 O ATOM 386 OE2 GLU A 24 5.131 6.476 -20.140 1.00 0.00 O ATOM 0 H GLU A 24 7.374 5.314 -17.108 1.00 0.00 H new ATOM 0 HA GLU A 24 5.479 5.135 -15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.854 5.064 -16.913 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.021 6.363 -17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.360 4.895 -18.620 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.064 3.717 -18.551 1.00 0.00 H new ATOM 393 N LEU A 25 6.022 2.379 -16.753 1.00 0.00 N ATOM 394 CA LEU A 25 5.811 0.935 -16.757 1.00 0.00 C ATOM 395 C LEU A 25 6.439 0.290 -15.526 1.00 0.00 C ATOM 396 O LEU A 25 5.800 -0.503 -14.833 1.00 0.00 O ATOM 397 CB LEU A 25 6.399 0.318 -18.027 1.00 0.00 C ATOM 398 CG LEU A 25 5.652 0.617 -19.327 1.00 0.00 C ATOM 399 CD1 LEU A 25 6.321 -0.081 -20.501 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.194 0.193 -19.213 1.00 0.00 C ATOM 0 H LEU A 25 6.649 2.716 -17.484 1.00 0.00 H new ATOM 0 HA LEU A 25 4.737 0.749 -16.734 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.426 0.666 -18.134 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.441 -0.763 -17.896 1.00 0.00 H new ATOM 0 HG LEU A 25 5.685 1.692 -19.504 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.775 0.144 -21.417 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.349 0.270 -20.596 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.320 -1.158 -20.333 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.677 0.413 -20.147 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.141 -0.877 -19.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.719 0.739 -18.398 1.00 0.00 H new ATOM 412 N LEU A 26 7.694 0.635 -15.259 1.00 0.00 N ATOM 413 CA LEU A 26 8.409 0.091 -14.109 1.00 0.00 C ATOM 414 C LEU A 26 7.594 0.261 -12.831 1.00 0.00 C ATOM 415 O LEU A 26 7.479 -0.665 -12.028 1.00 0.00 O ATOM 416 CB LEU A 26 9.767 0.778 -13.957 1.00 0.00 C ATOM 417 CG LEU A 26 10.889 0.255 -14.855 1.00 0.00 C ATOM 418 CD1 LEU A 26 12.170 1.039 -14.620 1.00 0.00 C ATOM 419 CD2 LEU A 26 11.117 -1.230 -14.612 1.00 0.00 C ATOM 0 H LEU A 26 8.237 1.289 -15.823 1.00 0.00 H new ATOM 0 HA LEU A 26 8.565 -0.974 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.637 1.842 -14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.086 0.683 -12.919 1.00 0.00 H new ATOM 0 HG LEU A 26 10.591 0.391 -15.894 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.957 0.653 -15.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.999 2.092 -14.845 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.474 0.936 -13.578 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.919 -1.586 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.394 -1.390 -13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.202 -1.779 -14.833 1.00 0.00 H new ATOM 431 N LYS A 27 7.028 1.449 -12.650 1.00 0.00 N ATOM 432 CA LYS A 27 6.220 1.741 -11.471 1.00 0.00 C ATOM 433 C LYS A 27 5.047 0.772 -11.363 1.00 0.00 C ATOM 434 O LYS A 27 4.847 0.139 -10.327 1.00 0.00 O ATOM 435 CB LYS A 27 5.704 3.180 -11.525 1.00 0.00 C ATOM 436 CG LYS A 27 6.559 4.162 -10.742 1.00 0.00 C ATOM 437 CD LYS A 27 6.536 5.545 -11.370 1.00 0.00 C ATOM 438 CE LYS A 27 5.522 6.451 -10.689 1.00 0.00 C ATOM 439 NZ LYS A 27 6.163 7.660 -10.102 1.00 0.00 N ATOM 0 H LYS A 27 7.114 2.226 -13.305 1.00 0.00 H new ATOM 0 HA LYS A 27 6.850 1.621 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.657 3.501 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.686 3.207 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.198 4.222 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.586 3.798 -10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.528 5.992 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.295 5.460 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.765 6.756 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.008 5.895 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.438 8.251 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.867 7.370 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.632 8.204 -10.854 1.00 0.00 H new ATOM 453 N GLN A 28 4.275 0.662 -12.440 1.00 0.00 N ATOM 454 CA GLN A 28 3.122 -0.230 -12.465 1.00 0.00 C ATOM 455 C GLN A 28 3.535 -1.662 -12.143 1.00 0.00 C ATOM 456 O GLN A 28 2.838 -2.371 -11.417 1.00 0.00 O ATOM 457 CB GLN A 28 2.440 -0.178 -13.833 1.00 0.00 C ATOM 458 CG GLN A 28 1.416 0.938 -13.960 1.00 0.00 C ATOM 459 CD GLN A 28 0.397 0.673 -15.051 1.00 0.00 C ATOM 460 OE1 GLN A 28 -0.798 0.547 -14.783 1.00 0.00 O ATOM 461 NE2 GLN A 28 0.865 0.587 -16.291 1.00 0.00 N ATOM 0 H GLN A 28 4.427 1.179 -13.306 1.00 0.00 H new ATOM 0 HA GLN A 28 2.418 0.105 -11.703 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.200 -0.052 -14.604 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.950 -1.133 -14.022 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.900 1.062 -13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.930 1.876 -14.169 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.863 0.698 -16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.226 0.410 -17.066 1.00 0.00 H new ATOM 470 N ASP A 29 4.672 -2.081 -12.688 1.00 0.00 N ATOM 471 CA ASP A 29 5.178 -3.430 -12.458 1.00 0.00 C ATOM 472 C ASP A 29 5.530 -3.635 -10.988 1.00 0.00 C ATOM 473 O ASP A 29 5.110 -4.614 -10.370 1.00 0.00 O ATOM 474 CB ASP A 29 6.406 -3.691 -13.331 1.00 0.00 C ATOM 475 CG ASP A 29 7.225 -4.870 -12.840 1.00 0.00 C ATOM 476 OD1 ASP A 29 8.070 -4.673 -11.942 1.00 0.00 O ATOM 477 OD2 ASP A 29 7.019 -5.989 -13.354 1.00 0.00 O ATOM 0 H ASP A 29 5.260 -1.507 -13.292 1.00 0.00 H new ATOM 0 HA ASP A 29 4.393 -4.137 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.087 -3.876 -14.357 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.032 -2.799 -13.348 1.00 0.00 H new ATOM 482 N ILE A 30 6.303 -2.707 -10.435 1.00 0.00 N ATOM 483 CA ILE A 30 6.711 -2.787 -9.038 1.00 0.00 C ATOM 484 C ILE A 30 5.507 -2.992 -8.125 1.00 0.00 C ATOM 485 O ILE A 30 5.499 -3.891 -7.283 1.00 0.00 O ATOM 486 CB ILE A 30 7.464 -1.518 -8.598 1.00 0.00 C ATOM 487 CG1 ILE A 30 8.726 -1.328 -9.443 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.817 -1.596 -7.120 1.00 0.00 C ATOM 489 CD1 ILE A 30 9.053 0.121 -9.724 1.00 0.00 C ATOM 0 H ILE A 30 6.659 -1.891 -10.933 1.00 0.00 H new ATOM 0 HA ILE A 30 7.379 -3.644 -8.953 1.00 0.00 H new ATOM 0 HB ILE A 30 6.814 -0.657 -8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.570 -1.789 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.602 -1.854 -10.390 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.349 -0.692 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.904 -1.688 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.452 -2.464 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.959 0.179 -10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.227 0.582 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.209 0.648 -8.783 1.00 0.00 H new ATOM 501 N LEU A 31 4.491 -2.154 -8.297 1.00 0.00 N ATOM 502 CA LEU A 31 3.279 -2.244 -7.490 1.00 0.00 C ATOM 503 C LEU A 31 2.662 -3.635 -7.588 1.00 0.00 C ATOM 504 O LEU A 31 1.989 -4.092 -6.664 1.00 0.00 O ATOM 505 CB LEU A 31 2.265 -1.190 -7.938 1.00 0.00 C ATOM 506 CG LEU A 31 2.701 0.268 -7.788 1.00 0.00 C ATOM 507 CD1 LEU A 31 1.534 1.204 -8.061 1.00 0.00 C ATOM 508 CD2 LEU A 31 3.272 0.514 -6.400 1.00 0.00 C ATOM 0 H LEU A 31 4.482 -1.404 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 31 3.549 -2.060 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.023 -1.370 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.346 -1.334 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 31 3.482 0.471 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.863 2.237 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.171 1.046 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.731 1.000 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.577 1.557 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.513 0.293 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.136 -0.131 -6.242 1.00 0.00 H new ATOM 520 N GLU A 32 2.898 -4.304 -8.712 1.00 0.00 N ATOM 521 CA GLU A 32 2.366 -5.644 -8.929 1.00 0.00 C ATOM 522 C GLU A 32 3.206 -6.688 -8.199 1.00 0.00 C ATOM 523 O GLU A 32 2.722 -7.772 -7.873 1.00 0.00 O ATOM 524 CB GLU A 32 2.323 -5.964 -10.425 1.00 0.00 C ATOM 525 CG GLU A 32 1.104 -6.770 -10.840 1.00 0.00 C ATOM 526 CD GLU A 32 0.590 -6.385 -12.214 1.00 0.00 C ATOM 527 OE1 GLU A 32 0.473 -5.171 -12.484 1.00 0.00 O ATOM 528 OE2 GLU A 32 0.305 -7.296 -13.018 1.00 0.00 O ATOM 0 H GLU A 32 3.454 -3.940 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 32 1.353 -5.673 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.340 -5.031 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.223 -6.516 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.355 -7.831 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.311 -6.626 -10.106 1.00 0.00 H new ATOM 535 N ALA A 33 4.466 -6.353 -7.945 1.00 0.00 N ATOM 536 CA ALA A 33 5.373 -7.259 -7.252 1.00 0.00 C ATOM 537 C ALA A 33 5.029 -7.354 -5.770 1.00 0.00 C ATOM 538 O ALA A 33 5.033 -8.439 -5.188 1.00 0.00 O ATOM 539 CB ALA A 33 6.814 -6.805 -7.433 1.00 0.00 C ATOM 0 H ALA A 33 4.882 -5.460 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 33 5.259 -8.251 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.480 -7.491 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.062 -6.797 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.933 -5.801 -7.025 1.00 0.00 H new ATOM 545 N THR A 34 4.731 -6.209 -5.162 1.00 0.00 N ATOM 546 CA THR A 34 4.386 -6.163 -3.747 1.00 0.00 C ATOM 547 C THR A 34 3.201 -7.071 -3.440 1.00 0.00 C ATOM 548 O THR A 34 3.011 -7.495 -2.300 1.00 0.00 O ATOM 549 CB THR A 34 4.050 -4.729 -3.297 1.00 0.00 C ATOM 550 OG1 THR A 34 4.006 -4.661 -1.868 1.00 0.00 O ATOM 551 CG2 THR A 34 2.715 -4.280 -3.872 1.00 0.00 C ATOM 0 H THR A 34 4.722 -5.302 -5.628 1.00 0.00 H new ATOM 0 HA THR A 34 5.260 -6.513 -3.197 1.00 0.00 H new ATOM 0 HB THR A 34 4.830 -4.064 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.793 -3.746 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.499 -3.264 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.761 -4.304 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.927 -4.949 -3.527 1.00 0.00 H new ATOM 559 N ALA A 35 2.406 -7.366 -4.463 1.00 0.00 N ATOM 560 CA ALA A 35 1.241 -8.226 -4.303 1.00 0.00 C ATOM 561 C ALA A 35 1.655 -9.653 -3.961 1.00 0.00 C ATOM 562 O ALA A 35 0.919 -10.380 -3.293 1.00 0.00 O ATOM 563 CB ALA A 35 0.393 -8.208 -5.567 1.00 0.00 C ATOM 0 H ALA A 35 2.548 -7.021 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 35 0.646 -7.840 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.474 -8.855 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.059 -7.190 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.986 -8.566 -6.408 1.00 0.00 H new ATOM 569 N ASP A 36 2.835 -10.049 -4.424 1.00 0.00 N ATOM 570 CA ASP A 36 3.347 -11.390 -4.167 1.00 0.00 C ATOM 571 C ASP A 36 3.805 -11.528 -2.719 1.00 0.00 C ATOM 572 O ASP A 36 3.424 -12.471 -2.025 1.00 0.00 O ATOM 573 CB ASP A 36 4.506 -11.707 -5.114 1.00 0.00 C ATOM 574 CG ASP A 36 4.728 -13.197 -5.278 1.00 0.00 C ATOM 575 OD1 ASP A 36 5.819 -13.679 -4.906 1.00 0.00 O ATOM 576 OD2 ASP A 36 3.811 -13.882 -5.778 1.00 0.00 O ATOM 0 H ASP A 36 3.456 -9.460 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 36 2.539 -12.101 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.306 -11.263 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.418 -11.246 -4.734 1.00 0.00 H new ATOM 581 N ILE A 37 4.625 -10.584 -2.270 1.00 0.00 N ATOM 582 CA ILE A 37 5.134 -10.601 -0.904 1.00 0.00 C ATOM 583 C ILE A 37 4.007 -10.413 0.105 1.00 0.00 C ATOM 584 O ILE A 37 3.931 -11.125 1.107 1.00 0.00 O ATOM 585 CB ILE A 37 6.193 -9.504 -0.685 1.00 0.00 C ATOM 586 CG1 ILE A 37 7.246 -9.552 -1.794 1.00 0.00 C ATOM 587 CG2 ILE A 37 6.846 -9.664 0.680 1.00 0.00 C ATOM 588 CD1 ILE A 37 8.338 -8.518 -1.635 1.00 0.00 C ATOM 0 H ILE A 37 4.951 -9.798 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 37 5.596 -11.576 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 37 5.701 -8.532 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.696 -10.544 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.755 -9.406 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.592 -8.882 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.087 -9.585 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.328 -10.640 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.049 -8.610 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.899 -7.520 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.854 -8.677 -0.688 1.00 0.00 H new ATOM 600 N ILE A 38 3.132 -9.450 -0.166 1.00 0.00 N ATOM 601 CA ILE A 38 2.006 -9.171 0.718 1.00 0.00 C ATOM 602 C ILE A 38 1.077 -10.375 0.823 1.00 0.00 C ATOM 603 O ILE A 38 0.502 -10.640 1.879 1.00 0.00 O ATOM 604 CB ILE A 38 1.197 -7.954 0.231 1.00 0.00 C ATOM 605 CG1 ILE A 38 2.047 -6.684 0.311 1.00 0.00 C ATOM 606 CG2 ILE A 38 -0.074 -7.800 1.053 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.467 -5.519 -0.460 1.00 0.00 C ATOM 0 H ILE A 38 3.181 -8.850 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 38 2.423 -8.951 1.701 1.00 0.00 H new ATOM 0 HB ILE A 38 0.916 -8.116 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.160 -6.397 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.045 -6.900 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.635 -6.936 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.685 -8.697 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.186 -7.657 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.122 -4.653 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.380 -5.787 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.481 -5.276 -0.065 1.00 0.00 H new ATOM 619 N LEU A 39 0.936 -11.104 -0.279 1.00 0.00 N ATOM 620 CA LEU A 39 0.078 -12.284 -0.312 1.00 0.00 C ATOM 621 C LEU A 39 0.546 -13.325 0.699 1.00 0.00 C ATOM 622 O LEU A 39 -0.229 -14.178 1.133 1.00 0.00 O ATOM 623 CB LEU A 39 0.064 -12.890 -1.716 1.00 0.00 C ATOM 624 CG LEU A 39 -1.222 -12.691 -2.519 1.00 0.00 C ATOM 625 CD1 LEU A 39 -0.970 -12.932 -3.999 1.00 0.00 C ATOM 626 CD2 LEU A 39 -2.319 -13.614 -2.007 1.00 0.00 C ATOM 0 H LEU A 39 1.405 -10.899 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.933 -11.975 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.892 -12.464 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.253 -13.960 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.552 -11.660 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.896 -12.786 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.217 -12.231 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.616 -13.952 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.227 -13.459 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.997 -14.651 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.519 -13.394 -0.958 1.00 0.00 H new ATOM 638 N LYS A 40 1.819 -13.250 1.073 1.00 0.00 N ATOM 639 CA LYS A 40 2.391 -14.183 2.036 1.00 0.00 C ATOM 640 C LYS A 40 1.988 -13.812 3.459 1.00 0.00 C ATOM 641 O LYS A 40 1.566 -14.667 4.238 1.00 0.00 O ATOM 642 CB LYS A 40 3.917 -14.202 1.915 1.00 0.00 C ATOM 643 CG LYS A 40 4.487 -15.579 1.623 1.00 0.00 C ATOM 644 CD LYS A 40 5.398 -15.559 0.407 1.00 0.00 C ATOM 645 CE LYS A 40 5.721 -16.966 -0.071 1.00 0.00 C ATOM 646 NZ LYS A 40 4.546 -17.616 -0.716 1.00 0.00 N ATOM 0 H LYS A 40 2.475 -12.551 0.723 1.00 0.00 H new ATOM 0 HA LYS A 40 2.003 -15.177 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.219 -13.518 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.351 -13.827 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.044 -15.935 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.672 -16.283 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.920 -15.001 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.322 -15.036 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.549 -16.928 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.052 -17.570 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.856 -18.472 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.850 -17.875 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.111 -16.955 -1.391 1.00 0.00 H new ATOM 660 N VAL A 41 2.120 -12.532 3.792 1.00 0.00 N ATOM 661 CA VAL A 41 1.767 -12.047 5.121 1.00 0.00 C ATOM 662 C VAL A 41 0.254 -11.955 5.289 1.00 0.00 C ATOM 663 O VAL A 41 -0.264 -12.042 6.401 1.00 0.00 O ATOM 664 CB VAL A 41 2.388 -10.665 5.398 1.00 0.00 C ATOM 665 CG1 VAL A 41 3.894 -10.783 5.577 1.00 0.00 C ATOM 666 CG2 VAL A 41 2.050 -9.695 4.276 1.00 0.00 C ATOM 0 H VAL A 41 2.469 -11.812 3.159 1.00 0.00 H new ATOM 0 HA VAL A 41 2.166 -12.766 5.836 1.00 0.00 H new ATOM 0 HB VAL A 41 1.966 -10.275 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.316 -9.797 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.110 -11.443 6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.337 -11.194 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.497 -8.724 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.443 -10.077 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.968 -9.588 4.201 1.00 0.00 H new ATOM 676 N GLY A 42 -0.450 -11.780 4.174 1.00 0.00 N ATOM 677 CA GLY A 42 -1.897 -11.680 4.219 1.00 0.00 C ATOM 678 C GLY A 42 -2.369 -10.313 4.675 1.00 0.00 C ATOM 679 O GLY A 42 -3.382 -10.197 5.366 1.00 0.00 O ATOM 0 H GLY A 42 -0.044 -11.706 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.304 -11.890 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.290 -12.441 4.894 1.00 0.00 H new ATOM 683 N HIS A 43 -1.633 -9.275 4.290 1.00 0.00 N ATOM 684 CA HIS A 43 -1.983 -7.910 4.665 1.00 0.00 C ATOM 685 C HIS A 43 -1.048 -6.907 3.996 1.00 0.00 C ATOM 686 O HIS A 43 0.152 -7.151 3.867 1.00 0.00 O ATOM 687 CB HIS A 43 -1.923 -7.745 6.184 1.00 0.00 C ATOM 688 CG HIS A 43 -0.529 -7.650 6.722 1.00 0.00 C ATOM 689 ND1 HIS A 43 0.205 -6.483 6.710 1.00 0.00 N ATOM 690 CD2 HIS A 43 0.266 -8.586 7.292 1.00 0.00 C ATOM 691 CE1 HIS A 43 1.391 -6.705 7.248 1.00 0.00 C ATOM 692 NE2 HIS A 43 1.453 -7.974 7.610 1.00 0.00 N ATOM 0 H HIS A 43 -0.791 -9.353 3.719 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.000 -7.715 4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.474 -6.848 6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.428 -8.590 6.653 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.013 -9.622 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.176 -5.974 7.371 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.253 -8.426 8.054 1.00 0.00 H new ATOM 700 N ASP A 44 -1.606 -5.779 3.570 1.00 0.00 N ATOM 701 CA ASP A 44 -0.823 -4.738 2.914 1.00 0.00 C ATOM 702 C ASP A 44 -0.436 -3.644 3.903 1.00 0.00 C ATOM 703 O ASP A 44 -1.286 -3.106 4.614 1.00 0.00 O ATOM 704 CB ASP A 44 -1.610 -4.136 1.749 1.00 0.00 C ATOM 705 CG ASP A 44 -2.750 -3.253 2.217 1.00 0.00 C ATOM 706 OD1 ASP A 44 -3.891 -3.754 2.305 1.00 0.00 O ATOM 707 OD2 ASP A 44 -2.502 -2.061 2.495 1.00 0.00 O ATOM 0 H ASP A 44 -2.598 -5.562 3.667 1.00 0.00 H new ATOM 0 HA ASP A 44 0.090 -5.193 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.936 -3.553 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.007 -4.939 1.129 1.00 0.00 H new ATOM 712 N PHE A 45 0.852 -3.319 3.944 1.00 0.00 N ATOM 713 CA PHE A 45 1.352 -2.289 4.848 1.00 0.00 C ATOM 714 C PHE A 45 0.739 -0.931 4.519 1.00 0.00 C ATOM 715 O PHE A 45 1.240 -0.204 3.661 1.00 0.00 O ATOM 716 CB PHE A 45 2.878 -2.206 4.767 1.00 0.00 C ATOM 717 CG PHE A 45 3.554 -3.547 4.804 1.00 0.00 C ATOM 718 CD1 PHE A 45 3.732 -4.215 6.005 1.00 0.00 C ATOM 719 CD2 PHE A 45 4.012 -4.140 3.639 1.00 0.00 C ATOM 720 CE1 PHE A 45 4.353 -5.449 6.043 1.00 0.00 C ATOM 721 CE2 PHE A 45 4.634 -5.373 3.670 1.00 0.00 C ATOM 722 CZ PHE A 45 4.805 -6.028 4.874 1.00 0.00 C ATOM 0 H PHE A 45 1.568 -3.754 3.362 1.00 0.00 H new ATOM 0 HA PHE A 45 1.063 -2.561 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.158 -1.692 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.245 -1.600 5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.381 -3.766 6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.881 -3.632 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.485 -5.960 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.986 -5.824 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.292 -6.992 4.901 1.00 0.00 H new ATOM 732 N SER A 46 -0.348 -0.596 5.207 1.00 0.00 N ATOM 733 CA SER A 46 -1.032 0.672 4.985 1.00 0.00 C ATOM 734 C SER A 46 -0.746 1.649 6.120 1.00 0.00 C ATOM 735 O SER A 46 -0.629 2.855 5.901 1.00 0.00 O ATOM 736 CB SER A 46 -2.540 0.446 4.858 1.00 0.00 C ATOM 737 OG SER A 46 -3.266 1.550 5.371 1.00 0.00 O ATOM 0 H SER A 46 -0.774 -1.185 5.923 1.00 0.00 H new ATOM 0 HA SER A 46 -0.657 1.102 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.801 0.290 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.822 -0.460 5.395 1.00 0.00 H new ATOM 0 HG SER A 46 -4.227 1.382 5.277 1.00 0.00 H new ATOM 743 N ASP A 47 -0.636 1.121 7.334 1.00 0.00 N ATOM 744 CA ASP A 47 -0.362 1.945 8.505 1.00 0.00 C ATOM 745 C ASP A 47 1.009 2.605 8.397 1.00 0.00 C ATOM 746 O ASP A 47 2.035 1.927 8.369 1.00 0.00 O ATOM 747 CB ASP A 47 -0.437 1.101 9.778 1.00 0.00 C ATOM 748 CG ASP A 47 -1.663 1.417 10.612 1.00 0.00 C ATOM 749 OD1 ASP A 47 -1.831 2.592 10.999 1.00 0.00 O ATOM 750 OD2 ASP A 47 -2.455 0.488 10.877 1.00 0.00 O ATOM 0 H ASP A 47 -0.733 0.125 7.533 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.119 2.728 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.446 0.045 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.459 1.270 10.376 1.00 0.00 H new ATOM 755 N ALA A 48 1.017 3.933 8.337 1.00 0.00 N ATOM 756 CA ALA A 48 2.261 4.685 8.233 1.00 0.00 C ATOM 757 C ALA A 48 3.150 4.447 9.449 1.00 0.00 C ATOM 758 O ALA A 48 4.349 4.720 9.415 1.00 0.00 O ATOM 759 CB ALA A 48 1.969 6.170 8.072 1.00 0.00 C ATOM 0 H ALA A 48 0.176 4.510 8.359 1.00 0.00 H new ATOM 0 HA ALA A 48 2.796 4.334 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.907 6.719 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.381 6.329 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.409 6.527 8.937 1.00 0.00 H new ATOM 765 N GLU A 49 2.552 3.938 10.522 1.00 0.00 N ATOM 766 CA GLU A 49 3.291 3.666 11.750 1.00 0.00 C ATOM 767 C GLU A 49 3.744 2.210 11.800 1.00 0.00 C ATOM 768 O GLU A 49 3.993 1.662 12.875 1.00 0.00 O ATOM 769 CB GLU A 49 2.428 3.985 12.972 1.00 0.00 C ATOM 770 CG GLU A 49 1.319 2.975 13.215 1.00 0.00 C ATOM 771 CD GLU A 49 0.295 3.464 14.221 1.00 0.00 C ATOM 772 OE1 GLU A 49 -0.267 2.620 14.952 1.00 0.00 O ATOM 773 OE2 GLU A 49 0.056 4.688 14.279 1.00 0.00 O ATOM 0 H GLU A 49 1.560 3.706 10.566 1.00 0.00 H new ATOM 0 HA GLU A 49 4.174 4.304 11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.066 4.031 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.986 4.974 12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.820 2.755 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.755 2.041 13.570 1.00 0.00 H new ATOM 780 N TYR A 50 3.849 1.588 10.631 1.00 0.00 N ATOM 781 CA TYR A 50 4.269 0.194 10.541 1.00 0.00 C ATOM 782 C TYR A 50 4.679 -0.160 9.115 1.00 0.00 C ATOM 783 O TYR A 50 4.122 -1.073 8.505 1.00 0.00 O ATOM 784 CB TYR A 50 3.142 -0.731 11.004 1.00 0.00 C ATOM 785 CG TYR A 50 3.549 -2.184 11.092 1.00 0.00 C ATOM 786 CD1 TYR A 50 2.861 -3.163 10.385 1.00 0.00 C ATOM 787 CD2 TYR A 50 4.621 -2.579 11.883 1.00 0.00 C ATOM 788 CE1 TYR A 50 3.230 -4.492 10.462 1.00 0.00 C ATOM 789 CE2 TYR A 50 4.997 -3.906 11.965 1.00 0.00 C ATOM 790 CZ TYR A 50 4.298 -4.858 11.253 1.00 0.00 C ATOM 791 OH TYR A 50 4.669 -6.181 11.334 1.00 0.00 O ATOM 0 H TYR A 50 3.649 2.027 9.732 1.00 0.00 H new ATOM 0 HA TYR A 50 5.132 0.058 11.192 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.791 -0.401 11.982 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.302 -0.639 10.316 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.023 -2.880 9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.170 -1.836 12.443 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.685 -5.240 9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.834 -4.196 12.583 1.00 0.00 H new ATOM 0 HH TYR A 50 5.599 -6.242 11.637 1.00 0.00 H new ATOM 801 N ILE A 51 5.659 0.569 8.590 1.00 0.00 N ATOM 802 CA ILE A 51 6.147 0.331 7.238 1.00 0.00 C ATOM 803 C ILE A 51 7.649 0.069 7.233 1.00 0.00 C ATOM 804 O ILE A 51 8.439 0.850 6.702 1.00 0.00 O ATOM 805 CB ILE A 51 5.842 1.524 6.312 1.00 0.00 C ATOM 806 CG1 ILE A 51 4.354 1.876 6.371 1.00 0.00 C ATOM 807 CG2 ILE A 51 6.261 1.206 4.884 1.00 0.00 C ATOM 808 CD1 ILE A 51 3.969 3.022 5.462 1.00 0.00 C ATOM 0 H ILE A 51 6.130 1.329 9.081 1.00 0.00 H new ATOM 0 HA ILE A 51 5.626 -0.551 6.865 1.00 0.00 H new ATOM 0 HB ILE A 51 6.414 2.387 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.770 0.996 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.090 2.132 7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.039 2.058 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.331 0.999 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.713 0.333 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.901 3.217 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.527 3.915 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.202 2.761 4.430 1.00 0.00 H new ATOM 820 N PRO A 52 8.054 -1.058 7.836 1.00 0.00 N ATOM 821 CA PRO A 52 9.464 -1.452 7.913 1.00 0.00 C ATOM 822 C PRO A 52 10.027 -1.860 6.556 1.00 0.00 C ATOM 823 O PRO A 52 9.392 -2.602 5.807 1.00 0.00 O ATOM 824 CB PRO A 52 9.447 -2.649 8.867 1.00 0.00 C ATOM 825 CG PRO A 52 8.072 -3.209 8.747 1.00 0.00 C ATOM 826 CD PRO A 52 7.168 -2.036 8.490 1.00 0.00 C ATOM 0 HA PRO A 52 10.098 -0.632 8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.200 -3.387 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.662 -2.343 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.015 -3.932 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.783 -3.732 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.329 -2.308 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.748 -1.642 9.416 1.00 0.00 H new ATOM 834 N LEU A 53 11.223 -1.371 6.246 1.00 0.00 N ATOM 835 CA LEU A 53 11.873 -1.686 4.978 1.00 0.00 C ATOM 836 C LEU A 53 13.336 -2.057 5.194 1.00 0.00 C ATOM 837 O LEU A 53 14.250 -1.311 4.841 1.00 0.00 O ATOM 838 CB LEU A 53 11.772 -0.496 4.022 1.00 0.00 C ATOM 839 CG LEU A 53 10.838 -0.674 2.825 1.00 0.00 C ATOM 840 CD1 LEU A 53 9.484 -1.200 3.277 1.00 0.00 C ATOM 841 CD2 LEU A 53 10.678 0.639 2.073 1.00 0.00 C ATOM 0 H LEU A 53 11.762 -0.755 6.855 1.00 0.00 H new ATOM 0 HA LEU A 53 11.362 -2.542 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.441 0.373 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.771 -0.271 3.648 1.00 0.00 H new ATOM 0 HG LEU A 53 11.281 -1.405 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.833 -1.320 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.614 -2.163 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.034 -0.494 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.010 0.493 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.258 1.392 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.651 0.974 1.715 1.00 0.00 H new ATOM 853 N PRO A 54 13.567 -3.238 5.785 1.00 0.00 N ATOM 854 CA PRO A 54 14.918 -3.737 6.059 1.00 0.00 C ATOM 855 C PRO A 54 15.663 -4.119 4.784 1.00 0.00 C ATOM 856 O PRO A 54 15.212 -3.824 3.679 1.00 0.00 O ATOM 857 CB PRO A 54 14.671 -4.975 6.925 1.00 0.00 C ATOM 858 CG PRO A 54 13.299 -5.426 6.558 1.00 0.00 C ATOM 859 CD PRO A 54 12.525 -4.179 6.233 1.00 0.00 C ATOM 0 HA PRO A 54 15.542 -2.983 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.410 -5.751 6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.739 -4.736 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.326 -6.102 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.834 -5.970 7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.783 -4.358 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.989 -3.800 7.103 1.00 0.00 H new ATOM 867 N GLU A 55 16.807 -4.777 4.948 1.00 0.00 N ATOM 868 CA GLU A 55 17.614 -5.199 3.809 1.00 0.00 C ATOM 869 C GLU A 55 17.038 -6.459 3.170 1.00 0.00 C ATOM 870 O GLU A 55 17.216 -6.702 1.976 1.00 0.00 O ATOM 871 CB GLU A 55 19.059 -5.450 4.246 1.00 0.00 C ATOM 872 CG GLU A 55 19.959 -5.935 3.121 1.00 0.00 C ATOM 873 CD GLU A 55 21.432 -5.777 3.444 1.00 0.00 C ATOM 874 OE1 GLU A 55 22.024 -6.730 3.994 1.00 0.00 O ATOM 875 OE2 GLU A 55 21.993 -4.702 3.147 1.00 0.00 O ATOM 0 H GLU A 55 17.195 -5.029 5.857 1.00 0.00 H new ATOM 0 HA GLU A 55 17.599 -4.399 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.471 -4.529 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.064 -6.188 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.746 -6.984 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.729 -5.380 2.211 1.00 0.00 H new ATOM 882 N THR A 56 16.345 -7.260 3.975 1.00 0.00 N ATOM 883 CA THR A 56 15.743 -8.495 3.490 1.00 0.00 C ATOM 884 C THR A 56 14.488 -8.212 2.672 1.00 0.00 C ATOM 885 O THR A 56 14.228 -8.872 1.666 1.00 0.00 O ATOM 886 CB THR A 56 15.382 -9.439 4.653 1.00 0.00 C ATOM 887 OG1 THR A 56 14.783 -10.636 4.145 1.00 0.00 O ATOM 888 CG2 THR A 56 14.428 -8.760 5.624 1.00 0.00 C ATOM 0 H THR A 56 16.187 -7.075 4.966 1.00 0.00 H new ATOM 0 HA THR A 56 16.485 -8.979 2.855 1.00 0.00 H new ATOM 0 HB THR A 56 16.299 -9.691 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.145 -10.986 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.187 -9.445 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.899 -7.865 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.513 -8.482 5.101 1.00 0.00 H new ATOM 896 N VAL A 57 13.712 -7.226 3.110 1.00 0.00 N ATOM 897 CA VAL A 57 12.485 -6.854 2.417 1.00 0.00 C ATOM 898 C VAL A 57 12.789 -6.119 1.116 1.00 0.00 C ATOM 899 O VAL A 57 12.335 -6.520 0.045 1.00 0.00 O ATOM 900 CB VAL A 57 11.590 -5.963 3.300 1.00 0.00 C ATOM 901 CG1 VAL A 57 10.405 -5.439 2.502 1.00 0.00 C ATOM 902 CG2 VAL A 57 11.120 -6.730 4.527 1.00 0.00 C ATOM 0 H VAL A 57 13.912 -6.670 3.942 1.00 0.00 H new ATOM 0 HA VAL A 57 11.955 -7.780 2.192 1.00 0.00 H new ATOM 0 HB VAL A 57 12.177 -5.108 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.784 -4.812 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.766 -4.851 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.815 -6.278 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.489 -6.086 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.549 -7.604 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.984 -7.051 5.109 1.00 0.00 H new ATOM 912 N ARG A 58 13.560 -5.042 1.218 1.00 0.00 N ATOM 913 CA ARG A 58 13.925 -4.250 0.049 1.00 0.00 C ATOM 914 C ARG A 58 14.476 -5.141 -1.060 1.00 0.00 C ATOM 915 O ARG A 58 14.273 -4.873 -2.245 1.00 0.00 O ATOM 916 CB ARG A 58 14.960 -3.190 0.428 1.00 0.00 C ATOM 917 CG ARG A 58 14.447 -1.765 0.300 1.00 0.00 C ATOM 918 CD ARG A 58 15.353 -0.779 1.020 1.00 0.00 C ATOM 919 NE ARG A 58 14.603 0.333 1.597 1.00 0.00 N ATOM 920 CZ ARG A 58 14.120 1.343 0.882 1.00 0.00 C ATOM 921 NH1 ARG A 58 14.306 1.379 -0.430 1.00 0.00 N ATOM 922 NH2 ARG A 58 13.447 2.318 1.480 1.00 0.00 N ATOM 0 H ARG A 58 13.944 -4.697 2.098 1.00 0.00 H new ATOM 0 HA ARG A 58 13.026 -3.755 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.283 -3.360 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.839 -3.309 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.379 -1.495 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.439 -1.702 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.898 -1.297 1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.095 -0.392 0.322 1.00 0.00 H new ATOM 0 HE ARG A 58 14.441 0.334 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.821 0.630 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.934 2.156 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.300 2.292 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.076 3.093 0.931 1.00 0.00 H new ATOM 936 N LEU A 59 15.175 -6.201 -0.669 1.00 0.00 N ATOM 937 CA LEU A 59 15.757 -7.132 -1.629 1.00 0.00 C ATOM 938 C LEU A 59 14.678 -8.000 -2.268 1.00 0.00 C ATOM 939 O LEU A 59 14.643 -8.168 -3.486 1.00 0.00 O ATOM 940 CB LEU A 59 16.801 -8.016 -0.945 1.00 0.00 C ATOM 941 CG LEU A 59 17.460 -9.079 -1.824 1.00 0.00 C ATOM 942 CD1 LEU A 59 18.021 -8.452 -3.091 1.00 0.00 C ATOM 943 CD2 LEU A 59 18.556 -9.802 -1.055 1.00 0.00 C ATOM 0 H LEU A 59 15.353 -6.437 0.307 1.00 0.00 H new ATOM 0 HA LEU A 59 16.241 -6.551 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 59 17.582 -7.373 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.328 -8.515 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 59 16.701 -9.808 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 59 18.486 -9.224 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 17.214 -7.981 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.766 -7.701 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.014 -10.555 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.313 -9.084 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.127 -10.285 -0.177 1.00 0.00 H new ATOM 955 N ALA A 60 13.798 -8.549 -1.436 1.00 0.00 N ATOM 956 CA ALA A 60 12.716 -9.397 -1.920 1.00 0.00 C ATOM 957 C ALA A 60 11.937 -8.709 -3.035 1.00 0.00 C ATOM 958 O ALA A 60 11.635 -9.318 -4.063 1.00 0.00 O ATOM 959 CB ALA A 60 11.785 -9.768 -0.775 1.00 0.00 C ATOM 0 H ALA A 60 13.814 -8.421 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 60 13.155 -10.308 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.981 -10.401 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.345 -10.307 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.361 -8.862 -0.343 1.00 0.00 H new ATOM 965 N LEU A 61 11.613 -7.437 -2.828 1.00 0.00 N ATOM 966 CA LEU A 61 10.867 -6.666 -3.817 1.00 0.00 C ATOM 967 C LEU A 61 11.753 -6.301 -5.003 1.00 0.00 C ATOM 968 O LEU A 61 11.301 -6.287 -6.149 1.00 0.00 O ATOM 969 CB LEU A 61 10.299 -5.397 -3.180 1.00 0.00 C ATOM 970 CG LEU A 61 8.959 -4.910 -3.733 1.00 0.00 C ATOM 971 CD1 LEU A 61 9.038 -4.727 -5.240 1.00 0.00 C ATOM 972 CD2 LEU A 61 7.847 -5.885 -3.370 1.00 0.00 C ATOM 0 H LEU A 61 11.855 -6.918 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 61 10.044 -7.283 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.186 -5.571 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.030 -4.597 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 61 8.731 -3.944 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.075 -4.380 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.806 -3.991 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.289 -5.678 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.900 -5.523 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.070 -6.865 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.774 -5.966 -2.285 1.00 0.00 H new ATOM 984 N LEU A 62 13.018 -6.008 -4.722 1.00 0.00 N ATOM 985 CA LEU A 62 13.970 -5.644 -5.766 1.00 0.00 C ATOM 986 C LEU A 62 14.151 -6.788 -6.759 1.00 0.00 C ATOM 987 O LEU A 62 14.220 -6.569 -7.969 1.00 0.00 O ATOM 988 CB LEU A 62 15.319 -5.273 -5.148 1.00 0.00 C ATOM 989 CG LEU A 62 15.464 -3.826 -4.676 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.552 -3.716 -3.618 1.00 0.00 C ATOM 991 CD2 LEU A 62 15.768 -2.909 -5.852 1.00 0.00 C ATOM 0 H LEU A 62 13.408 -6.015 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 62 13.573 -4.781 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.501 -5.931 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.100 -5.475 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 62 14.519 -3.513 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.641 -2.679 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.294 -4.342 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.502 -4.048 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.868 -1.883 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.699 -3.221 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.955 -2.965 -6.576 1.00 0.00 H new ATOM 1003 N LYS A 63 14.225 -8.009 -6.241 1.00 0.00 N ATOM 1004 CA LYS A 63 14.394 -9.188 -7.081 1.00 0.00 C ATOM 1005 C LYS A 63 13.106 -9.511 -7.832 1.00 0.00 C ATOM 1006 O LYS A 63 13.115 -9.704 -9.048 1.00 0.00 O ATOM 1007 CB LYS A 63 14.816 -10.389 -6.231 1.00 0.00 C ATOM 1008 CG LYS A 63 16.124 -10.179 -5.488 1.00 0.00 C ATOM 1009 CD LYS A 63 17.187 -11.164 -5.941 1.00 0.00 C ATOM 1010 CE LYS A 63 18.566 -10.768 -5.436 1.00 0.00 C ATOM 1011 NZ LYS A 63 19.647 -11.239 -6.345 1.00 0.00 N ATOM 0 H LYS A 63 14.170 -8.208 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 63 15.175 -8.974 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.029 -10.607 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.910 -11.264 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.477 -9.161 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.957 -10.290 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.938 -12.161 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.198 -11.214 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.620 -9.684 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.721 -11.185 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.571 -10.949 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.613 -12.276 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.514 -10.822 -7.288 1.00 0.00 H new ATOM 1025 N LEU A 64 11.998 -9.567 -7.100 1.00 0.00 N ATOM 1026 CA LEU A 64 10.701 -9.865 -7.697 1.00 0.00 C ATOM 1027 C LEU A 64 10.328 -8.816 -8.740 1.00 0.00 C ATOM 1028 O LEU A 64 9.670 -9.121 -9.734 1.00 0.00 O ATOM 1029 CB LEU A 64 9.622 -9.931 -6.614 1.00 0.00 C ATOM 1030 CG LEU A 64 9.158 -11.331 -6.214 1.00 0.00 C ATOM 1031 CD1 LEU A 64 8.638 -11.333 -4.785 1.00 0.00 C ATOM 1032 CD2 LEU A 64 8.088 -11.833 -7.173 1.00 0.00 C ATOM 0 H LEU A 64 11.972 -9.410 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 64 10.770 -10.834 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.998 -9.426 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.755 -9.367 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 64 10.013 -12.005 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.312 -12.338 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.432 -11.017 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.797 -10.645 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.770 -12.831 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.233 -11.157 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.494 -11.871 -8.184 1.00 0.00 H new ATOM 1044 N SER A 65 10.755 -7.579 -8.506 1.00 0.00 N ATOM 1045 CA SER A 65 10.464 -6.484 -9.424 1.00 0.00 C ATOM 1046 C SER A 65 10.969 -6.803 -10.828 1.00 0.00 C ATOM 1047 O SER A 65 10.314 -6.490 -11.821 1.00 0.00 O ATOM 1048 CB SER A 65 11.102 -5.187 -8.923 1.00 0.00 C ATOM 1049 OG SER A 65 10.310 -4.586 -7.913 1.00 0.00 O ATOM 0 H SER A 65 11.303 -7.310 -7.689 1.00 0.00 H new ATOM 0 HA SER A 65 9.382 -6.356 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.098 -5.395 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.224 -4.493 -9.755 1.00 0.00 H new ATOM 0 HG SER A 65 10.635 -4.867 -7.032 1.00 0.00 H new ATOM 1055 N GLN A 66 12.140 -7.429 -10.901 1.00 0.00 N ATOM 1056 CA GLN A 66 12.734 -7.791 -12.182 1.00 0.00 C ATOM 1057 C GLN A 66 11.990 -8.961 -12.816 1.00 0.00 C ATOM 1058 O GLN A 66 11.843 -9.028 -14.037 1.00 0.00 O ATOM 1059 CB GLN A 66 14.210 -8.147 -12.001 1.00 0.00 C ATOM 1060 CG GLN A 66 14.870 -8.670 -13.267 1.00 0.00 C ATOM 1061 CD GLN A 66 15.423 -10.071 -13.101 1.00 0.00 C ATOM 1062 OE1 GLN A 66 15.018 -10.998 -13.803 1.00 0.00 O ATOM 1063 NE2 GLN A 66 16.355 -10.234 -12.170 1.00 0.00 N ATOM 0 H GLN A 66 12.695 -7.696 -10.088 1.00 0.00 H new ATOM 0 HA GLN A 66 12.654 -6.931 -12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.749 -7.263 -11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.300 -8.899 -11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.144 -8.664 -14.080 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.677 -7.997 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.662 -9.438 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.765 -11.155 -12.014 1.00 0.00 H new ATOM 1072 N PHE A 67 11.524 -9.882 -11.980 1.00 0.00 N ATOM 1073 CA PHE A 67 10.796 -11.052 -12.459 1.00 0.00 C ATOM 1074 C PHE A 67 9.563 -10.636 -13.256 1.00 0.00 C ATOM 1075 O PHE A 67 9.406 -11.013 -14.418 1.00 0.00 O ATOM 1076 CB PHE A 67 10.381 -11.938 -11.282 1.00 0.00 C ATOM 1077 CG PHE A 67 9.383 -12.998 -11.653 1.00 0.00 C ATOM 1078 CD1 PHE A 67 8.024 -12.738 -11.597 1.00 0.00 C ATOM 1079 CD2 PHE A 67 9.806 -14.255 -12.056 1.00 0.00 C ATOM 1080 CE1 PHE A 67 7.103 -13.711 -11.938 1.00 0.00 C ATOM 1081 CE2 PHE A 67 8.890 -15.231 -12.398 1.00 0.00 C ATOM 1082 CZ PHE A 67 7.537 -14.960 -12.338 1.00 0.00 C ATOM 0 H PHE A 67 11.637 -9.841 -10.967 1.00 0.00 H new ATOM 0 HA PHE A 67 11.458 -11.617 -13.115 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.268 -12.415 -10.866 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.958 -11.311 -10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.680 -11.764 -11.283 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.863 -14.474 -12.103 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.046 -13.495 -11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.232 -16.206 -12.712 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.820 -15.723 -12.603 1.00 0.00 H new ATOM 1092 N TYR A 68 8.692 -9.858 -12.624 1.00 0.00 N ATOM 1093 CA TYR A 68 7.471 -9.393 -13.272 1.00 0.00 C ATOM 1094 C TYR A 68 7.795 -8.487 -14.457 1.00 0.00 C ATOM 1095 O TYR A 68 7.062 -8.454 -15.445 1.00 0.00 O ATOM 1096 CB TYR A 68 6.590 -8.646 -12.270 1.00 0.00 C ATOM 1097 CG TYR A 68 5.827 -9.558 -11.336 1.00 0.00 C ATOM 1098 CD1 TYR A 68 6.099 -9.574 -9.974 1.00 0.00 C ATOM 1099 CD2 TYR A 68 4.836 -10.405 -11.816 1.00 0.00 C ATOM 1100 CE1 TYR A 68 5.406 -10.407 -9.117 1.00 0.00 C ATOM 1101 CE2 TYR A 68 4.136 -11.239 -10.966 1.00 0.00 C ATOM 1102 CZ TYR A 68 4.425 -11.237 -9.618 1.00 0.00 C ATOM 1103 OH TYR A 68 3.732 -12.068 -8.768 1.00 0.00 O ATOM 0 H TYR A 68 8.808 -9.536 -11.663 1.00 0.00 H new ATOM 0 HA TYR A 68 6.930 -10.265 -13.641 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.214 -7.975 -11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.881 -8.024 -12.816 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.865 -8.924 -9.578 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.609 -10.412 -12.872 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.631 -10.408 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.366 -11.889 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 68 3.076 -12.586 -9.280 1.00 0.00 H new ATOM 1113 N ALA A 69 8.898 -7.754 -14.348 1.00 0.00 N ATOM 1114 CA ALA A 69 9.321 -6.849 -15.410 1.00 0.00 C ATOM 1115 C ALA A 69 9.855 -7.624 -16.611 1.00 0.00 C ATOM 1116 O ALA A 69 9.800 -7.146 -17.745 1.00 0.00 O ATOM 1117 CB ALA A 69 10.376 -5.883 -14.891 1.00 0.00 C ATOM 0 H ALA A 69 9.515 -7.769 -13.536 1.00 0.00 H new ATOM 0 HA ALA A 69 8.451 -6.279 -15.736 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.683 -5.213 -15.694 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.962 -5.299 -14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.241 -6.444 -14.537 1.00 0.00 H new ATOM 1123 N LEU A 70 10.371 -8.821 -16.355 1.00 0.00 N ATOM 1124 CA LEU A 70 10.916 -9.662 -17.415 1.00 0.00 C ATOM 1125 C LEU A 70 9.798 -10.328 -18.210 1.00 0.00 C ATOM 1126 O LEU A 70 9.847 -10.387 -19.439 1.00 0.00 O ATOM 1127 CB LEU A 70 11.841 -10.726 -16.823 1.00 0.00 C ATOM 1128 CG LEU A 70 12.511 -11.666 -17.827 1.00 0.00 C ATOM 1129 CD1 LEU A 70 13.211 -10.871 -18.917 1.00 0.00 C ATOM 1130 CD2 LEU A 70 13.494 -12.588 -17.120 1.00 0.00 C ATOM 0 H LEU A 70 10.423 -9.231 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 70 11.489 -9.027 -18.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.620 -10.223 -16.250 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.266 -11.328 -16.119 1.00 0.00 H new ATOM 0 HG LEU A 70 11.740 -12.279 -18.293 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.682 -11.556 -19.622 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.482 -10.254 -19.443 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.972 -10.232 -18.469 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.961 -13.250 -17.849 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.262 -11.992 -16.627 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.964 -13.184 -16.377 1.00 0.00 H new ATOM 1142 N ILE A 71 8.791 -10.827 -17.501 1.00 0.00 N ATOM 1143 CA ILE A 71 7.659 -11.486 -18.141 1.00 0.00 C ATOM 1144 C ILE A 71 6.498 -10.517 -18.338 1.00 0.00 C ATOM 1145 O ILE A 71 5.343 -10.929 -18.438 1.00 0.00 O ATOM 1146 CB ILE A 71 7.172 -12.693 -17.318 1.00 0.00 C ATOM 1147 CG1 ILE A 71 6.665 -12.234 -15.949 1.00 0.00 C ATOM 1148 CG2 ILE A 71 8.290 -13.713 -17.160 1.00 0.00 C ATOM 1149 CD1 ILE A 71 6.138 -13.362 -15.090 1.00 0.00 C ATOM 0 H ILE A 71 8.736 -10.787 -16.483 1.00 0.00 H new ATOM 0 HA ILE A 71 8.006 -11.836 -19.113 1.00 0.00 H new ATOM 0 HB ILE A 71 6.347 -13.167 -17.850 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.476 -11.733 -15.420 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.875 -11.497 -16.092 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.930 -14.560 -16.576 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.608 -14.059 -18.143 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.134 -13.251 -16.647 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.796 -12.963 -14.135 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.306 -13.849 -15.599 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.932 -14.088 -14.916 1.00 0.00 H new ATOM 1161 N ASN A 72 6.814 -9.227 -18.395 1.00 0.00 N ATOM 1162 CA ASN A 72 5.797 -8.199 -18.581 1.00 0.00 C ATOM 1163 C ASN A 72 5.581 -7.910 -20.063 1.00 0.00 C ATOM 1164 O ASN A 72 4.463 -7.633 -20.496 1.00 0.00 O ATOM 1165 CB ASN A 72 6.201 -6.915 -17.854 1.00 0.00 C ATOM 1166 CG ASN A 72 5.137 -6.442 -16.882 1.00 0.00 C ATOM 1167 OD1 ASN A 72 5.550 -6.133 -15.658 1.00 0.00 O flip ATOM 1168 ND2 ASN A 72 3.959 -6.355 -17.227 1.00 0.00 N flip ATOM 0 H ASN A 72 7.766 -8.869 -18.315 1.00 0.00 H new ATOM 0 HA ASN A 72 4.862 -8.568 -18.160 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.133 -7.084 -17.314 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.394 -6.131 -18.587 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.686 -6.603 -18.178 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.255 -6.035 -16.562 1.00 0.00 H new ATOM 1175 N GLY A 73 6.660 -7.978 -20.838 1.00 0.00 N ATOM 1176 CA GLY A 73 6.567 -7.721 -22.263 1.00 0.00 C ATOM 1177 C GLY A 73 7.903 -7.861 -22.965 1.00 0.00 C ATOM 1178 O GLY A 73 8.296 -6.993 -23.745 1.00 0.00 O ATOM 0 H GLY A 73 7.596 -8.206 -20.504 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.852 -8.413 -22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.179 -6.715 -22.423 1.00 0.00 H new ATOM 1182 N ASP A 74 8.604 -8.955 -22.688 1.00 0.00 N ATOM 1183 CA ASP A 74 9.905 -9.205 -23.298 1.00 0.00 C ATOM 1184 C ASP A 74 9.821 -9.101 -24.818 1.00 0.00 C ATOM 1185 O ASP A 74 10.269 -8.119 -25.408 1.00 0.00 O ATOM 1186 CB ASP A 74 10.423 -10.587 -22.897 1.00 0.00 C ATOM 1187 CG ASP A 74 11.531 -11.076 -23.808 1.00 0.00 C ATOM 1188 OD1 ASP A 74 11.291 -12.032 -24.575 1.00 0.00 O ATOM 1189 OD2 ASP A 74 12.639 -10.503 -23.754 1.00 0.00 O ATOM 0 H ASP A 74 8.293 -9.683 -22.045 1.00 0.00 H new ATOM 0 HA ASP A 74 10.600 -8.447 -22.937 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.789 -10.551 -21.871 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.599 -11.300 -22.916 1.00 0.00 H new ATOM 1194 N GLU A 75 9.244 -10.122 -25.445 1.00 0.00 N ATOM 1195 CA GLU A 75 9.104 -10.145 -26.896 1.00 0.00 C ATOM 1196 C GLU A 75 7.938 -11.036 -27.316 1.00 0.00 C ATOM 1197 O GLU A 75 7.091 -10.633 -28.113 1.00 0.00 O ATOM 1198 CB GLU A 75 10.397 -10.638 -27.548 1.00 0.00 C ATOM 1199 CG GLU A 75 10.712 -9.955 -28.868 1.00 0.00 C ATOM 1200 CD GLU A 75 11.854 -10.620 -29.612 1.00 0.00 C ATOM 1201 OE1 GLU A 75 12.817 -9.913 -29.975 1.00 0.00 O ATOM 1202 OE2 GLU A 75 11.785 -11.848 -29.830 1.00 0.00 O ATOM 0 H GLU A 75 8.867 -10.943 -24.971 1.00 0.00 H new ATOM 0 HA GLU A 75 8.901 -9.128 -27.232 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.226 -10.477 -26.859 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.324 -11.713 -27.713 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.822 -9.960 -29.497 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.964 -8.911 -28.681 1.00 0.00 H new ATOM 1209 N SER A 76 7.903 -12.249 -26.774 1.00 0.00 N ATOM 1210 CA SER A 76 6.845 -13.200 -27.095 1.00 0.00 C ATOM 1211 C SER A 76 6.788 -14.319 -26.060 1.00 0.00 C ATOM 1212 O SER A 76 7.041 -15.483 -26.374 1.00 0.00 O ATOM 1213 CB SER A 76 7.066 -13.789 -28.489 1.00 0.00 C ATOM 1214 OG SER A 76 6.466 -12.980 -29.486 1.00 0.00 O ATOM 0 H SER A 76 8.595 -12.597 -26.110 1.00 0.00 H new ATOM 0 HA SER A 76 5.894 -12.667 -27.080 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.135 -13.879 -28.684 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.648 -14.795 -28.533 1.00 0.00 H new ATOM 0 HG SER A 76 6.562 -12.036 -29.243 1.00 0.00 H new ATOM 1220 N ILE A 77 6.455 -13.959 -24.825 1.00 0.00 N ATOM 1221 CA ILE A 77 6.364 -14.932 -23.744 1.00 0.00 C ATOM 1222 C ILE A 77 4.930 -15.418 -23.562 1.00 0.00 C ATOM 1223 O ILE A 77 4.027 -14.629 -23.284 1.00 0.00 O ATOM 1224 CB ILE A 77 6.867 -14.343 -22.413 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.302 -13.834 -22.566 1.00 0.00 C ATOM 1226 CG2 ILE A 77 6.785 -15.386 -21.308 1.00 0.00 C ATOM 1227 CD1 ILE A 77 8.861 -13.216 -21.303 1.00 0.00 C ATOM 0 H ILE A 77 6.244 -13.000 -24.548 1.00 0.00 H new ATOM 0 HA ILE A 77 6.998 -15.774 -24.022 1.00 0.00 H new ATOM 0 HB ILE A 77 6.230 -13.502 -22.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.942 -14.662 -22.870 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.334 -13.096 -23.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.144 -14.955 -20.373 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.750 -15.706 -21.186 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.402 -16.245 -21.572 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.881 -12.877 -21.484 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.244 -12.367 -21.009 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.862 -13.958 -20.504 1.00 0.00 H new ATOM 1443 N TYR A 91 4.952 -19.145 -18.493 1.00 0.00 N ATOM 1444 CA TYR A 91 5.741 -17.955 -18.788 1.00 0.00 C ATOM 1445 C TYR A 91 7.118 -18.334 -19.325 1.00 0.00 C ATOM 1446 O TYR A 91 8.142 -17.853 -18.838 1.00 0.00 O ATOM 1447 CB TYR A 91 5.890 -17.093 -17.533 1.00 0.00 C ATOM 1448 CG TYR A 91 4.578 -16.795 -16.844 1.00 0.00 C ATOM 1449 CD1 TYR A 91 4.049 -17.672 -15.905 1.00 0.00 C ATOM 1450 CD2 TYR A 91 3.866 -15.637 -17.133 1.00 0.00 C ATOM 1451 CE1 TYR A 91 2.850 -17.404 -15.273 1.00 0.00 C ATOM 1452 CE2 TYR A 91 2.667 -15.361 -16.505 1.00 0.00 C ATOM 1453 CZ TYR A 91 2.163 -16.247 -15.576 1.00 0.00 C ATOM 1454 OH TYR A 91 0.969 -15.976 -14.949 1.00 0.00 O ATOM 0 HA TYR A 91 5.217 -17.383 -19.554 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.552 -17.599 -16.831 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.371 -16.153 -17.803 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.584 -18.579 -15.665 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.257 -14.941 -17.861 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.453 -18.097 -14.546 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.127 -14.456 -16.740 1.00 0.00 H new ATOM 0 HH TYR A 91 0.615 -15.122 -15.275 1.00 0.00 H new ATOM 1464 N THR A 92 7.135 -19.201 -20.333 1.00 0.00 N ATOM 1465 CA THR A 92 8.385 -19.646 -20.937 1.00 0.00 C ATOM 1466 C THR A 92 9.129 -18.482 -21.582 1.00 0.00 C ATOM 1467 O THR A 92 8.711 -17.962 -22.618 1.00 0.00 O ATOM 1468 CB THR A 92 8.139 -20.735 -21.998 1.00 0.00 C ATOM 1469 OG1 THR A 92 7.365 -21.800 -21.437 1.00 0.00 O ATOM 1470 CG2 THR A 92 9.456 -21.282 -22.528 1.00 0.00 C ATOM 0 H THR A 92 6.297 -19.609 -20.748 1.00 0.00 H new ATOM 0 HA THR A 92 8.994 -20.062 -20.134 1.00 0.00 H new ATOM 0 HB THR A 92 7.591 -20.286 -22.827 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.212 -22.487 -22.119 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.257 -22.050 -23.276 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.029 -20.474 -22.982 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.027 -21.715 -21.707 1.00 0.00 H new ATOM 1478 N LEU A 93 10.233 -18.077 -20.965 1.00 0.00 N ATOM 1479 CA LEU A 93 11.037 -16.974 -21.480 1.00 0.00 C ATOM 1480 C LEU A 93 11.669 -17.340 -22.819 1.00 0.00 C ATOM 1481 O LEU A 93 11.917 -18.512 -23.101 1.00 0.00 O ATOM 1482 CB LEU A 93 12.126 -16.598 -20.475 1.00 0.00 C ATOM 1483 CG LEU A 93 11.709 -16.592 -19.004 1.00 0.00 C ATOM 1484 CD1 LEU A 93 12.823 -16.030 -18.134 1.00 0.00 C ATOM 1485 CD2 LEU A 93 10.428 -15.793 -18.815 1.00 0.00 C ATOM 0 H LEU A 93 10.592 -18.496 -20.107 1.00 0.00 H new ATOM 0 HA LEU A 93 10.380 -16.118 -21.631 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.957 -17.293 -20.593 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.501 -15.607 -20.730 1.00 0.00 H new ATOM 0 HG LEU A 93 11.521 -17.621 -18.697 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.507 -16.034 -17.091 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.716 -16.644 -18.245 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.045 -15.008 -18.442 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.147 -15.800 -17.762 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.589 -14.765 -19.141 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.629 -16.240 -19.407 1.00 0.00 H new ATOM 1497 N GLY A 94 11.930 -16.328 -23.641 1.00 0.00 N ATOM 1498 CA GLY A 94 12.534 -16.564 -24.940 1.00 0.00 C ATOM 1499 C GLY A 94 13.793 -17.402 -24.850 1.00 0.00 C ATOM 1500 O GLY A 94 13.980 -18.340 -25.626 1.00 0.00 O ATOM 0 H GLY A 94 11.734 -15.349 -23.431 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.813 -17.065 -25.587 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.770 -15.608 -25.407 1.00 0.00 H new ATOM 1504 N ASP A 95 14.661 -17.064 -23.903 1.00 0.00 N ATOM 1505 CA ASP A 95 15.910 -17.793 -23.715 1.00 0.00 C ATOM 1506 C ASP A 95 15.644 -19.275 -23.473 1.00 0.00 C ATOM 1507 O ASP A 95 16.503 -20.120 -23.722 1.00 0.00 O ATOM 1508 CB ASP A 95 16.697 -17.205 -22.542 1.00 0.00 C ATOM 1509 CG ASP A 95 17.339 -15.875 -22.884 1.00 0.00 C ATOM 1510 OD1 ASP A 95 16.609 -14.864 -22.953 1.00 0.00 O ATOM 1511 OD2 ASP A 95 18.572 -15.846 -23.081 1.00 0.00 O ATOM 0 H ASP A 95 14.523 -16.290 -23.253 1.00 0.00 H new ATOM 0 HA ASP A 95 16.501 -17.693 -24.626 1.00 0.00 H new ATOM 0 HB2 ASP A 95 16.030 -17.075 -21.690 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.470 -17.910 -22.237 1.00 0.00 H new ATOM 1516 N GLY A 96 14.446 -19.584 -22.984 1.00 0.00 N ATOM 1517 CA GLY A 96 14.089 -20.965 -22.716 1.00 0.00 C ATOM 1518 C GLY A 96 14.216 -21.321 -21.248 1.00 0.00 C ATOM 1519 O GLY A 96 14.262 -22.498 -20.890 1.00 0.00 O ATOM 0 H GLY A 96 13.718 -18.903 -22.769 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.064 -21.142 -23.043 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.729 -21.623 -23.303 1.00 0.00 H new ATOM 1523 N SER A 97 14.275 -20.303 -20.396 1.00 0.00 N ATOM 1524 CA SER A 97 14.404 -20.515 -18.959 1.00 0.00 C ATOM 1525 C SER A 97 13.031 -20.624 -18.301 1.00 0.00 C ATOM 1526 O SER A 97 12.139 -19.818 -18.563 1.00 0.00 O ATOM 1527 CB SER A 97 15.197 -19.372 -18.323 1.00 0.00 C ATOM 1528 OG SER A 97 15.879 -18.615 -19.307 1.00 0.00 O ATOM 0 H SER A 97 14.236 -19.323 -20.676 1.00 0.00 H new ATOM 0 HA SER A 97 14.939 -21.451 -18.801 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.522 -18.724 -17.764 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.914 -19.776 -17.609 1.00 0.00 H new ATOM 0 HG SER A 97 16.377 -17.890 -18.875 1.00 0.00 H new ATOM 1534 N SER A 98 12.871 -21.628 -17.444 1.00 0.00 N ATOM 1535 CA SER A 98 11.608 -21.846 -16.750 1.00 0.00 C ATOM 1536 C SER A 98 11.513 -20.970 -15.505 1.00 0.00 C ATOM 1537 O SER A 98 11.761 -21.428 -14.389 1.00 0.00 O ATOM 1538 CB SER A 98 11.462 -23.319 -16.364 1.00 0.00 C ATOM 1539 OG SER A 98 12.597 -23.773 -15.647 1.00 0.00 O ATOM 0 H SER A 98 13.601 -22.303 -17.214 1.00 0.00 H new ATOM 0 HA SER A 98 10.798 -21.573 -17.427 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.567 -23.452 -15.756 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.330 -23.922 -17.262 1.00 0.00 H new ATOM 0 HG SER A 98 12.779 -23.163 -14.902 1.00 0.00 H new ATOM 1545 N LEU A 99 11.151 -19.707 -15.704 1.00 0.00 N ATOM 1546 CA LEU A 99 11.023 -18.765 -14.598 1.00 0.00 C ATOM 1547 C LEU A 99 10.136 -19.336 -13.496 1.00 0.00 C ATOM 1548 O LEU A 99 9.044 -19.836 -13.763 1.00 0.00 O ATOM 1549 CB LEU A 99 10.446 -17.439 -15.097 1.00 0.00 C ATOM 1550 CG LEU A 99 11.138 -16.173 -14.590 1.00 0.00 C ATOM 1551 CD1 LEU A 99 12.616 -16.192 -14.950 1.00 0.00 C ATOM 1552 CD2 LEU A 99 10.465 -14.933 -15.160 1.00 0.00 C ATOM 0 H LEU A 99 10.941 -19.312 -16.621 1.00 0.00 H new ATOM 0 HA LEU A 99 12.016 -18.590 -14.185 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.482 -17.437 -16.186 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.395 -17.393 -14.813 1.00 0.00 H new ATOM 0 HG LEU A 99 11.050 -16.144 -13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.092 -15.283 -14.581 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.090 -17.061 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.726 -16.245 -16.033 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.970 -14.042 -14.789 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.522 -14.956 -16.248 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.420 -14.912 -14.852 1.00 0.00 H new ATOM 1564 N GLN A 100 10.613 -19.255 -12.258 1.00 0.00 N ATOM 1565 CA GLN A 100 9.863 -19.763 -11.116 1.00 0.00 C ATOM 1566 C GLN A 100 9.847 -18.746 -9.980 1.00 0.00 C ATOM 1567 O GLN A 100 9.533 -19.080 -8.837 1.00 0.00 O ATOM 1568 CB GLN A 100 10.466 -21.081 -10.628 1.00 0.00 C ATOM 1569 CG GLN A 100 9.849 -22.309 -11.278 1.00 0.00 C ATOM 1570 CD GLN A 100 8.344 -22.366 -11.108 1.00 0.00 C ATOM 1571 OE1 GLN A 100 7.836 -22.427 -9.988 1.00 0.00 O ATOM 1572 NE2 GLN A 100 7.621 -22.344 -12.221 1.00 0.00 N ATOM 0 H GLN A 100 11.515 -18.842 -12.021 1.00 0.00 H new ATOM 0 HA GLN A 100 8.836 -19.939 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.538 -21.076 -10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.341 -21.150 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.091 -22.313 -12.341 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.294 -23.206 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.084 -22.293 -13.129 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.603 -22.378 -12.169 1.00 0.00 H new ATOM 1581 N LYS A 101 10.187 -17.502 -10.301 1.00 0.00 N ATOM 1582 CA LYS A 101 10.211 -16.434 -9.308 1.00 0.00 C ATOM 1583 C LYS A 101 11.293 -16.688 -8.263 1.00 0.00 C ATOM 1584 O LYS A 101 11.632 -17.829 -7.949 1.00 0.00 O ATOM 1585 CB LYS A 101 8.847 -16.313 -8.625 1.00 0.00 C ATOM 1586 CG LYS A 101 8.171 -14.972 -8.851 1.00 0.00 C ATOM 1587 CD LYS A 101 6.658 -15.108 -8.876 1.00 0.00 C ATOM 1588 CE LYS A 101 6.063 -14.983 -7.482 1.00 0.00 C ATOM 1589 NZ LYS A 101 5.434 -16.255 -7.031 1.00 0.00 N ATOM 0 H LYS A 101 10.450 -17.208 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 101 10.437 -15.500 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.195 -17.106 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.971 -16.472 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.462 -14.279 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.514 -14.544 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.234 -14.341 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.386 -16.073 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.844 -14.695 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.318 -14.187 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.040 -16.128 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.672 -16.517 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.150 -17.009 -7.013 1.00 0.00 H new ATOM 1603 N PRO A 102 11.849 -15.600 -7.709 1.00 0.00 N ATOM 1604 CA PRO A 102 12.899 -15.679 -6.689 1.00 0.00 C ATOM 1605 C PRO A 102 12.376 -16.210 -5.359 1.00 0.00 C ATOM 1606 O PRO A 102 11.240 -15.934 -4.973 1.00 0.00 O ATOM 1607 CB PRO A 102 13.360 -14.227 -6.541 1.00 0.00 C ATOM 1608 CG PRO A 102 12.187 -13.412 -6.964 1.00 0.00 C ATOM 1609 CD PRO A 102 11.494 -14.208 -8.035 1.00 0.00 C ATOM 0 HA PRO A 102 13.695 -16.366 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.646 -14.005 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 102 14.230 -14.022 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.519 -13.224 -6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.503 -12.440 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.415 -14.053 -8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.839 -13.928 -9.030 1.00 0.00 H new ATOM 1617 N ASP A 103 13.212 -16.972 -4.662 1.00 0.00 N ATOM 1618 CA ASP A 103 12.834 -17.540 -3.373 1.00 0.00 C ATOM 1619 C ASP A 103 12.959 -16.501 -2.263 1.00 0.00 C ATOM 1620 O ASP A 103 13.845 -16.589 -1.412 1.00 0.00 O ATOM 1621 CB ASP A 103 13.707 -18.755 -3.052 1.00 0.00 C ATOM 1622 CG ASP A 103 13.213 -20.018 -3.730 1.00 0.00 C ATOM 1623 OD1 ASP A 103 12.441 -20.768 -3.097 1.00 0.00 O ATOM 1624 OD2 ASP A 103 13.598 -20.255 -4.893 1.00 0.00 O ATOM 0 H ASP A 103 14.155 -17.211 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 103 11.793 -17.856 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.732 -18.555 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.727 -18.909 -1.973 1.00 0.00 H new ATOM 1629 N VAL A 104 12.067 -15.516 -2.279 1.00 0.00 N ATOM 1630 CA VAL A 104 12.077 -14.459 -1.274 1.00 0.00 C ATOM 1631 C VAL A 104 11.136 -14.789 -0.121 1.00 0.00 C ATOM 1632 O VAL A 104 10.702 -13.901 0.614 1.00 0.00 O ATOM 1633 CB VAL A 104 11.671 -13.103 -1.882 1.00 0.00 C ATOM 1634 CG1 VAL A 104 12.525 -12.787 -3.100 1.00 0.00 C ATOM 1635 CG2 VAL A 104 10.193 -13.102 -2.241 1.00 0.00 C ATOM 0 H VAL A 104 11.328 -15.428 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 104 13.098 -14.389 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 104 11.841 -12.325 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.224 -11.826 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.574 -12.743 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.390 -13.566 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.923 -12.137 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.995 -13.890 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.600 -13.279 -1.343 1.00 0.00 H new ATOM 1645 N TYR A 105 10.825 -16.071 0.033 1.00 0.00 N ATOM 1646 CA TYR A 105 9.933 -16.519 1.097 1.00 0.00 C ATOM 1647 C TYR A 105 10.610 -16.405 2.459 1.00 0.00 C ATOM 1648 O TYR A 105 9.999 -15.970 3.435 1.00 0.00 O ATOM 1649 CB TYR A 105 9.497 -17.964 0.851 1.00 0.00 C ATOM 1650 CG TYR A 105 8.741 -18.574 2.010 1.00 0.00 C ATOM 1651 CD1 TYR A 105 7.768 -17.849 2.687 1.00 0.00 C ATOM 1652 CD2 TYR A 105 9.000 -19.873 2.427 1.00 0.00 C ATOM 1653 CE1 TYR A 105 7.074 -18.402 3.747 1.00 0.00 C ATOM 1654 CE2 TYR A 105 8.310 -20.434 3.485 1.00 0.00 C ATOM 1655 CZ TYR A 105 7.349 -19.695 4.141 1.00 0.00 C ATOM 1656 OH TYR A 105 6.661 -20.250 5.196 1.00 0.00 O ATOM 0 H TYR A 105 11.177 -16.819 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 105 9.053 -15.876 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.870 -17.999 -0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.379 -18.570 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.550 -16.837 2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.753 -20.455 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.321 -17.825 4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.523 -21.446 3.796 1.00 0.00 H new ATOM 0 HH TYR A 105 6.974 -21.167 5.344 1.00 0.00 H new ATOM 1666 N ALA A 106 11.879 -16.798 2.517 1.00 0.00 N ATOM 1667 CA ALA A 106 12.641 -16.739 3.758 1.00 0.00 C ATOM 1668 C ALA A 106 12.961 -15.297 4.137 1.00 0.00 C ATOM 1669 O ALA A 106 13.154 -14.981 5.312 1.00 0.00 O ATOM 1670 CB ALA A 106 13.922 -17.550 3.630 1.00 0.00 C ATOM 0 H ALA A 106 12.400 -17.161 1.719 1.00 0.00 H new ATOM 0 HA ALA A 106 12.030 -17.169 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.481 -17.497 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.675 -18.589 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.529 -17.146 2.820 1.00 0.00 H new ATOM 1676 N LEU A 107 13.018 -14.426 3.135 1.00 0.00 N ATOM 1677 CA LEU A 107 13.316 -13.016 3.364 1.00 0.00 C ATOM 1678 C LEU A 107 12.215 -12.353 4.185 1.00 0.00 C ATOM 1679 O LEU A 107 12.487 -11.498 5.029 1.00 0.00 O ATOM 1680 CB LEU A 107 13.482 -12.287 2.029 1.00 0.00 C ATOM 1681 CG LEU A 107 14.744 -12.621 1.234 1.00 0.00 C ATOM 1682 CD1 LEU A 107 14.712 -11.945 -0.128 1.00 0.00 C ATOM 1683 CD2 LEU A 107 15.987 -12.206 2.008 1.00 0.00 C ATOM 0 H LEU A 107 12.862 -14.671 2.157 1.00 0.00 H new ATOM 0 HA LEU A 107 14.249 -12.953 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.615 -12.509 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.471 -11.214 2.220 1.00 0.00 H new ATOM 0 HG LEU A 107 14.779 -13.700 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.619 -12.194 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 107 13.842 -12.291 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.653 -10.865 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 107 16.876 -12.451 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.959 -11.132 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.017 -12.737 2.959 1.00 0.00 H new ATOM 1695 N ILE A 108 10.973 -12.754 3.934 1.00 0.00 N ATOM 1696 CA ILE A 108 9.833 -12.200 4.653 1.00 0.00 C ATOM 1697 C ILE A 108 9.312 -13.182 5.697 1.00 0.00 C ATOM 1698 O ILE A 108 8.443 -12.847 6.502 1.00 0.00 O ATOM 1699 CB ILE A 108 8.686 -11.834 3.692 1.00 0.00 C ATOM 1700 CG1 ILE A 108 8.317 -13.037 2.822 1.00 0.00 C ATOM 1701 CG2 ILE A 108 9.079 -10.647 2.826 1.00 0.00 C ATOM 1702 CD1 ILE A 108 7.162 -12.771 1.881 1.00 0.00 C ATOM 0 H ILE A 108 10.731 -13.460 3.239 1.00 0.00 H new ATOM 0 HA ILE A 108 10.183 -11.295 5.151 1.00 0.00 H new ATOM 0 HB ILE A 108 7.813 -11.555 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.189 -13.335 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.063 -13.878 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.258 -10.401 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.297 -9.789 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.964 -10.900 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.956 -13.667 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.277 -12.503 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.420 -11.951 1.211 1.00 0.00 H new ATOM 1714 N LYS A 109 9.851 -14.397 5.680 1.00 0.00 N ATOM 1715 CA LYS A 109 9.445 -15.428 6.627 1.00 0.00 C ATOM 1716 C LYS A 109 9.681 -14.972 8.063 1.00 0.00 C ATOM 1717 O LYS A 109 9.034 -15.455 8.992 1.00 0.00 O ATOM 1718 CB LYS A 109 10.212 -16.725 6.360 1.00 0.00 C ATOM 1719 CG LYS A 109 10.009 -17.783 7.431 1.00 0.00 C ATOM 1720 CD LYS A 109 10.520 -19.140 6.977 1.00 0.00 C ATOM 1721 CE LYS A 109 11.952 -19.378 7.433 1.00 0.00 C ATOM 1722 NZ LYS A 109 12.145 -20.757 7.959 1.00 0.00 N ATOM 0 H LYS A 109 10.571 -14.691 5.020 1.00 0.00 H new ATOM 0 HA LYS A 109 8.379 -15.609 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 109 9.900 -17.130 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.275 -16.499 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.527 -17.484 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.949 -17.855 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 109 9.876 -19.924 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.468 -19.205 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.632 -19.210 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.212 -18.655 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.133 -20.879 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.515 -20.910 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.922 -21.447 7.214 1.00 0.00 H new ATOM 1736 N ASP A 110 10.610 -14.038 8.237 1.00 0.00 N ATOM 1737 CA ASP A 110 10.930 -13.515 9.560 1.00 0.00 C ATOM 1738 C ASP A 110 10.051 -12.314 9.896 1.00 0.00 C ATOM 1739 O ASP A 110 10.106 -11.783 11.006 1.00 0.00 O ATOM 1740 CB ASP A 110 12.405 -13.119 9.632 1.00 0.00 C ATOM 1741 CG ASP A 110 13.332 -14.274 9.306 1.00 0.00 C ATOM 1742 OD1 ASP A 110 13.583 -14.514 8.107 1.00 0.00 O ATOM 1743 OD2 ASP A 110 13.806 -14.938 10.251 1.00 0.00 O ATOM 0 H ASP A 110 11.155 -13.628 7.478 1.00 0.00 H new ATOM 0 HA ASP A 110 10.737 -14.300 10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.592 -12.300 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.630 -12.748 10.632 1.00 0.00 H new ATOM 1748 N TYR A 111 9.242 -11.891 8.931 1.00 0.00 N ATOM 1749 CA TYR A 111 8.354 -10.751 9.124 1.00 0.00 C ATOM 1750 C TYR A 111 6.954 -11.056 8.599 1.00 0.00 C ATOM 1751 O TYR A 111 6.301 -10.198 8.005 1.00 0.00 O ATOM 1752 CB TYR A 111 8.917 -9.515 8.420 1.00 0.00 C ATOM 1753 CG TYR A 111 8.830 -8.254 9.250 1.00 0.00 C ATOM 1754 CD1 TYR A 111 9.940 -7.770 9.932 1.00 0.00 C ATOM 1755 CD2 TYR A 111 7.639 -7.546 9.352 1.00 0.00 C ATOM 1756 CE1 TYR A 111 9.865 -6.619 10.692 1.00 0.00 C ATOM 1757 CE2 TYR A 111 7.555 -6.393 10.108 1.00 0.00 C ATOM 1758 CZ TYR A 111 8.671 -5.934 10.777 1.00 0.00 C ATOM 1759 OH TYR A 111 8.592 -4.786 11.532 1.00 0.00 O ATOM 0 H TYR A 111 9.183 -12.320 8.008 1.00 0.00 H new ATOM 0 HA TYR A 111 8.286 -10.552 10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.960 -9.698 8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.378 -9.363 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.877 -8.303 9.867 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.763 -7.904 8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.737 -6.257 11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.621 -5.854 10.175 1.00 0.00 H new ATOM 0 HH TYR A 111 9.463 -4.338 11.538 1.00 0.00 H new ATOM 1769 N VAL A 112 6.500 -12.285 8.823 1.00 0.00 N ATOM 1770 CA VAL A 112 5.178 -12.704 8.375 1.00 0.00 C ATOM 1771 C VAL A 112 4.185 -12.721 9.532 1.00 0.00 C ATOM 1772 O VAL A 112 4.489 -13.215 10.618 1.00 0.00 O ATOM 1773 CB VAL A 112 5.221 -14.102 7.729 1.00 0.00 C ATOM 1774 CG1 VAL A 112 3.830 -14.717 7.694 1.00 0.00 C ATOM 1775 CG2 VAL A 112 5.814 -14.024 6.330 1.00 0.00 C ATOM 0 H VAL A 112 7.028 -13.008 9.312 1.00 0.00 H new ATOM 0 HA VAL A 112 4.851 -11.978 7.631 1.00 0.00 H new ATOM 0 HB VAL A 112 5.861 -14.744 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.880 -15.704 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.447 -14.809 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.165 -14.079 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.837 -15.020 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 112 5.202 -13.367 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.828 -13.629 6.386 1.00 0.00 H new ATOM 1910 N ILE A 122 -13.130 -8.788 9.213 1.00 0.00 N ATOM 1911 CA ILE A 122 -14.360 -8.230 9.762 1.00 0.00 C ATOM 1912 C ILE A 122 -14.079 -6.967 10.568 1.00 0.00 C ATOM 1913 O ILE A 122 -13.062 -6.871 11.255 1.00 0.00 O ATOM 1914 CB ILE A 122 -15.088 -9.248 10.660 1.00 0.00 C ATOM 1915 CG1 ILE A 122 -15.495 -10.479 9.848 1.00 0.00 C ATOM 1916 CG2 ILE A 122 -16.307 -8.607 11.307 1.00 0.00 C ATOM 1917 CD1 ILE A 122 -16.551 -10.192 8.804 1.00 0.00 C ATOM 0 HA ILE A 122 -15.000 -7.982 8.915 1.00 0.00 H new ATOM 0 HB ILE A 122 -14.407 -9.566 11.449 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -14.612 -10.889 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -15.866 -11.246 10.528 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -16.811 -9.339 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -15.992 -7.759 11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -16.992 -8.264 10.532 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -16.791 -11.110 8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -17.449 -9.811 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -16.175 -9.448 8.101 1.00 0.00 H new ATOM 1929 N GLU A 123 -14.988 -6.001 10.481 1.00 0.00 N ATOM 1930 CA GLU A 123 -14.838 -4.744 11.204 1.00 0.00 C ATOM 1931 C GLU A 123 -13.603 -3.985 10.725 1.00 0.00 C ATOM 1932 O GLU A 123 -13.127 -3.069 11.394 1.00 0.00 O ATOM 1933 CB GLU A 123 -14.738 -5.004 12.709 1.00 0.00 C ATOM 1934 CG GLU A 123 -15.634 -4.103 13.543 1.00 0.00 C ATOM 1935 CD GLU A 123 -14.980 -3.670 14.841 1.00 0.00 C ATOM 1936 OE1 GLU A 123 -15.477 -4.065 15.916 1.00 0.00 O ATOM 1937 OE2 GLU A 123 -13.971 -2.936 14.781 1.00 0.00 O ATOM 0 H GLU A 123 -15.836 -6.065 9.917 1.00 0.00 H new ATOM 0 HA GLU A 123 -15.719 -4.133 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -14.997 -6.044 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -13.704 -4.867 13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -15.898 -3.220 12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -16.563 -4.627 13.766 1.00 0.00 H new ATOM 1944 N ALA A 124 -13.091 -4.375 9.563 1.00 0.00 N ATOM 1945 CA ALA A 124 -11.914 -3.732 8.993 1.00 0.00 C ATOM 1946 C ALA A 124 -12.308 -2.678 7.964 1.00 0.00 C ATOM 1947 O ALA A 124 -11.882 -1.525 8.045 1.00 0.00 O ATOM 1948 CB ALA A 124 -10.997 -4.770 8.363 1.00 0.00 C ATOM 0 H ALA A 124 -13.473 -5.133 8.998 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.378 -3.232 9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.122 -4.275 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.679 -5.484 9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.532 -5.296 7.573 1.00 0.00 H new ATOM 1954 N LYS A 125 -13.122 -3.080 6.994 1.00 0.00 N ATOM 1955 CA LYS A 125 -13.575 -2.171 5.948 1.00 0.00 C ATOM 1956 C LYS A 125 -14.502 -1.102 6.519 1.00 0.00 C ATOM 1957 O LYS A 125 -14.502 0.041 6.064 1.00 0.00 O ATOM 1958 CB LYS A 125 -14.296 -2.949 4.845 1.00 0.00 C ATOM 1959 CG LYS A 125 -14.384 -2.196 3.528 1.00 0.00 C ATOM 1960 CD LYS A 125 -14.565 -3.144 2.355 1.00 0.00 C ATOM 1961 CE LYS A 125 -13.287 -3.275 1.542 1.00 0.00 C ATOM 1962 NZ LYS A 125 -13.401 -2.603 0.217 1.00 0.00 N ATOM 0 H LYS A 125 -13.482 -4.031 6.911 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.699 -1.679 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -13.778 -3.894 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -15.303 -3.193 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -15.219 -1.496 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.479 -1.606 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -14.866 -4.125 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -15.369 -2.783 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -12.456 -2.841 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -13.056 -4.330 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -12.510 -2.715 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -14.177 -3.033 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -13.596 -1.591 0.357 1.00 0.00 H new ATOM 1976 N VAL A 126 -15.289 -1.482 7.521 1.00 0.00 N ATOM 1977 CA VAL A 126 -16.219 -0.556 8.156 1.00 0.00 C ATOM 1978 C VAL A 126 -15.499 0.697 8.642 1.00 0.00 C ATOM 1979 O VAL A 126 -15.977 1.815 8.446 1.00 0.00 O ATOM 1980 CB VAL A 126 -16.941 -1.214 9.346 1.00 0.00 C ATOM 1981 CG1 VAL A 126 -17.910 -0.234 9.991 1.00 0.00 C ATOM 1982 CG2 VAL A 126 -17.665 -2.475 8.899 1.00 0.00 C ATOM 0 H VAL A 126 -15.301 -2.425 7.910 1.00 0.00 H new ATOM 0 HA VAL A 126 -16.956 -0.279 7.402 1.00 0.00 H new ATOM 0 HB VAL A 126 -16.196 -1.495 10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -18.411 -0.717 10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -17.362 0.638 10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -18.652 0.080 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -18.170 -2.927 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -18.400 -2.221 8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -16.944 -3.182 8.488 1.00 0.00 H new ATOM 1992 N ARG A 127 -14.348 0.503 9.277 1.00 0.00 N ATOM 1993 CA ARG A 127 -13.563 1.618 9.793 1.00 0.00 C ATOM 1994 C ARG A 127 -13.188 2.583 8.672 1.00 0.00 C ATOM 1995 O ARG A 127 -12.975 3.772 8.908 1.00 0.00 O ATOM 1996 CB ARG A 127 -12.298 1.103 10.481 1.00 0.00 C ATOM 1997 CG ARG A 127 -12.452 0.920 11.982 1.00 0.00 C ATOM 1998 CD ARG A 127 -11.144 1.179 12.713 1.00 0.00 C ATOM 1999 NE ARG A 127 -11.359 1.808 14.013 1.00 0.00 N ATOM 2000 CZ ARG A 127 -11.922 1.189 15.045 1.00 0.00 C ATOM 2001 NH1 ARG A 127 -12.325 -0.069 14.928 1.00 0.00 N ATOM 2002 NH2 ARG A 127 -12.083 1.828 16.197 1.00 0.00 N ATOM 0 H ARG A 127 -13.938 -0.416 9.447 1.00 0.00 H new ATOM 0 HA ARG A 127 -14.173 2.153 10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -12.014 0.150 10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -11.482 1.800 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -13.219 1.599 12.355 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -12.793 -0.094 12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -10.612 0.237 12.849 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -10.508 1.819 12.102 1.00 0.00 H new ATOM 0 HE ARG A 127 -11.061 2.776 14.136 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -12.203 -0.564 14.044 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -12.757 -0.542 15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -11.774 2.796 16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -12.515 1.351 16.988 1.00 0.00 H new ATOM 2016 N MET A 128 -13.108 2.062 7.452 1.00 0.00 N ATOM 2017 CA MET A 128 -12.759 2.878 6.294 1.00 0.00 C ATOM 2018 C MET A 128 -14.004 3.511 5.681 1.00 0.00 C ATOM 2019 O MET A 128 -14.063 4.726 5.490 1.00 0.00 O ATOM 2020 CB MET A 128 -12.034 2.031 5.246 1.00 0.00 C ATOM 2021 CG MET A 128 -11.104 2.835 4.353 1.00 0.00 C ATOM 2022 SD MET A 128 -11.553 2.731 2.610 1.00 0.00 S ATOM 2023 CE MET A 128 -13.281 3.197 2.677 1.00 0.00 C ATOM 0 H MET A 128 -13.280 1.079 7.239 1.00 0.00 H new ATOM 0 HA MET A 128 -12.095 3.675 6.629 1.00 0.00 H new ATOM 0 HB2 MET A 128 -11.458 1.256 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 128 -12.773 1.525 4.625 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.118 3.879 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.083 2.477 4.483 1.00 0.00 H new ATOM 0 HE1 MET A 128 -13.641 3.404 1.669 1.00 0.00 H new ATOM 0 HE2 MET A 128 -13.861 2.382 3.109 1.00 0.00 H new ATOM 0 HE3 MET A 128 -13.394 4.089 3.293 1.00 0.00 H new ATOM 2033 N ARG A 129 -14.995 2.681 5.374 1.00 0.00 N ATOM 2034 CA ARG A 129 -16.237 3.160 4.780 1.00 0.00 C ATOM 2035 C ARG A 129 -16.846 4.278 5.622 1.00 0.00 C ATOM 2036 O ARG A 129 -17.536 5.155 5.102 1.00 0.00 O ATOM 2037 CB ARG A 129 -17.237 2.011 4.639 1.00 0.00 C ATOM 2038 CG ARG A 129 -17.618 1.709 3.199 1.00 0.00 C ATOM 2039 CD ARG A 129 -19.125 1.583 3.037 1.00 0.00 C ATOM 2040 NE ARG A 129 -19.808 2.854 3.258 1.00 0.00 N ATOM 2041 CZ ARG A 129 -21.099 2.953 3.556 1.00 0.00 C ATOM 2042 NH1 ARG A 129 -21.842 1.861 3.667 1.00 0.00 N ATOM 2043 NH2 ARG A 129 -21.648 4.146 3.743 1.00 0.00 N ATOM 0 H ARG A 129 -14.962 1.673 5.527 1.00 0.00 H new ATOM 0 HA ARG A 129 -16.008 3.556 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -16.813 1.114 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -18.139 2.254 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -17.246 2.501 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -17.138 0.784 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -19.353 1.219 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -19.504 0.841 3.740 1.00 0.00 H new ATOM 0 HE ARG A 129 -19.264 3.713 3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -21.423 0.942 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -22.833 1.939 3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.079 4.988 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.639 4.221 3.972 1.00 0.00 H new ATOM 2057 N SER A 130 -16.586 4.239 6.925 1.00 0.00 N ATOM 2058 CA SER A 130 -17.112 5.245 7.840 1.00 0.00 C ATOM 2059 C SER A 130 -16.000 6.168 8.330 1.00 0.00 C ATOM 2060 O SER A 130 -15.768 6.293 9.533 1.00 0.00 O ATOM 2061 CB SER A 130 -17.796 4.573 9.032 1.00 0.00 C ATOM 2062 OG SER A 130 -18.629 3.508 8.609 1.00 0.00 O ATOM 0 H SER A 130 -16.014 3.521 7.371 1.00 0.00 H new ATOM 0 HA SER A 130 -17.846 5.844 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 130 -17.042 4.196 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 130 -18.389 5.308 9.577 1.00 0.00 H new ATOM 0 HG SER A 130 -18.082 2.712 8.441 1.00 0.00 H new