USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 996 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 94 ASN : amide:sc= -3.35! C(o=-3.4!,f=-13!) USER MOD Set 1.2: A 113 SER OG : rot 160:sc=-0.00356 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.0486 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.024) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00191 USER MOD Single : A 19 GLN : amide:sc= -5.21! C(o=-5.2!,f=-16!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.676 K(o=-0.68,f=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.0465 (180deg=-0.346) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -82:sc= 0.117 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -118:sc= -0.728 (180deg=-2.12!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= -1.12 (180deg=-1.12) USER MOD Single : A 60 THR OG1 : rot -90:sc= 0.481 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 39:sc= -0.902 USER MOD Single : A 70 THR OG1 : rot -85:sc= 0.107 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -85:sc= -0.742 USER MOD Single : A 80 THR OG1 : rot -82:sc= 0.256 USER MOD Single : A 83 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 99 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.6) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.9 K(o=0.9,f=-0.82) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 124 SER OG : rot 16:sc= -2.18! USER MOD Single : A 126 SER OG : rot -8:sc= 1.07 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.034 11.469 -2.823 1.00 0.00 N ATOM 2 CA GLY A 1 -40.017 12.901 -3.071 1.00 0.00 C ATOM 3 C GLY A 1 -39.179 13.630 -2.020 1.00 0.00 C ATOM 4 O GLY A 1 -37.987 13.361 -1.874 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.609 10.998 -3.550 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.063 11.099 -2.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.442 11.284 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.612 13.097 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.036 13.287 -3.061 1.00 0.00 H new ATOM 8 N SER A 2 -39.835 14.539 -1.313 1.00 0.00 N ATOM 9 CA SER A 2 -39.165 15.309 -0.279 1.00 0.00 C ATOM 10 C SER A 2 -37.770 15.721 -0.754 1.00 0.00 C ATOM 11 O SER A 2 -36.790 15.025 -0.491 1.00 0.00 O ATOM 12 CB SER A 2 -39.069 14.515 1.025 1.00 0.00 C ATOM 13 OG SER A 2 -40.353 14.161 1.531 1.00 0.00 O ATOM 0 H SER A 2 -40.823 14.759 -1.436 1.00 0.00 H new ATOM 0 HA SER A 2 -39.755 16.205 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.484 13.611 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.536 15.105 1.770 1.00 0.00 H new ATOM 0 HG SER A 2 -40.248 13.654 2.363 1.00 0.00 H new ATOM 19 N SER A 3 -37.724 16.851 -1.445 1.00 0.00 N ATOM 20 CA SER A 3 -36.466 17.363 -1.959 1.00 0.00 C ATOM 21 C SER A 3 -35.448 17.485 -0.823 1.00 0.00 C ATOM 22 O SER A 3 -35.717 18.128 0.190 1.00 0.00 O ATOM 23 CB SER A 3 -36.661 18.717 -2.644 1.00 0.00 C ATOM 24 OG SER A 3 -37.404 19.624 -1.833 1.00 0.00 O ATOM 0 H SER A 3 -38.538 17.426 -1.661 1.00 0.00 H new ATOM 0 HA SER A 3 -36.089 16.661 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.688 19.150 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.178 18.572 -3.593 1.00 0.00 H new ATOM 0 HG SER A 3 -37.102 19.554 -0.903 1.00 0.00 H new ATOM 30 N GLY A 4 -34.299 16.857 -1.031 1.00 0.00 N ATOM 31 CA GLY A 4 -33.240 16.887 -0.038 1.00 0.00 C ATOM 32 C GLY A 4 -31.863 16.915 -0.705 1.00 0.00 C ATOM 33 O GLY A 4 -31.760 17.106 -1.916 1.00 0.00 O ATOM 0 H GLY A 4 -34.079 16.325 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.358 17.764 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.317 16.012 0.608 1.00 0.00 H new ATOM 37 N SER A 5 -30.840 16.721 0.114 1.00 0.00 N ATOM 38 CA SER A 5 -29.474 16.721 -0.381 1.00 0.00 C ATOM 39 C SER A 5 -28.834 15.350 -0.151 1.00 0.00 C ATOM 40 O SER A 5 -28.936 14.789 0.938 1.00 0.00 O ATOM 41 CB SER A 5 -28.643 17.815 0.293 1.00 0.00 C ATOM 42 OG SER A 5 -28.756 17.771 1.713 1.00 0.00 O ATOM 0 H SER A 5 -30.930 16.563 1.118 1.00 0.00 H new ATOM 0 HA SER A 5 -29.498 16.929 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.597 17.703 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.968 18.791 -0.067 1.00 0.00 H new ATOM 0 HG SER A 5 -28.210 18.483 2.107 1.00 0.00 H new ATOM 48 N SER A 6 -28.188 14.852 -1.195 1.00 0.00 N ATOM 49 CA SER A 6 -27.531 13.558 -1.121 1.00 0.00 C ATOM 50 C SER A 6 -26.032 13.745 -0.879 1.00 0.00 C ATOM 51 O SER A 6 -25.495 13.257 0.115 1.00 0.00 O ATOM 52 CB SER A 6 -27.765 12.747 -2.397 1.00 0.00 C ATOM 53 OG SER A 6 -27.838 11.348 -2.135 1.00 0.00 O ATOM 0 H SER A 6 -28.105 15.321 -2.097 1.00 0.00 H new ATOM 0 HA SER A 6 -27.961 13.004 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.690 13.076 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.958 12.942 -3.103 1.00 0.00 H new ATOM 0 HG SER A 6 -27.990 10.865 -2.974 1.00 0.00 H new ATOM 59 N GLY A 7 -25.399 14.452 -1.803 1.00 0.00 N ATOM 60 CA GLY A 7 -23.973 14.710 -1.702 1.00 0.00 C ATOM 61 C GLY A 7 -23.237 14.215 -2.949 1.00 0.00 C ATOM 62 O GLY A 7 -23.643 14.509 -4.072 1.00 0.00 O ATOM 0 H GLY A 7 -25.848 14.855 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.801 15.779 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.572 14.215 -0.818 1.00 0.00 H new ATOM 66 N HIS A 8 -22.167 13.471 -2.709 1.00 0.00 N ATOM 67 CA HIS A 8 -21.371 12.933 -3.799 1.00 0.00 C ATOM 68 C HIS A 8 -22.295 12.382 -4.887 1.00 0.00 C ATOM 69 O HIS A 8 -23.486 12.181 -4.652 1.00 0.00 O ATOM 70 CB HIS A 8 -20.377 11.890 -3.282 1.00 0.00 C ATOM 71 CG HIS A 8 -18.967 12.409 -3.127 1.00 0.00 C ATOM 72 ND1 HIS A 8 -18.180 12.123 -2.026 1.00 0.00 N ATOM 73 CD2 HIS A 8 -18.213 13.197 -3.946 1.00 0.00 C ATOM 74 CE1 HIS A 8 -17.007 12.718 -2.185 1.00 0.00 C ATOM 75 NE2 HIS A 8 -17.029 13.383 -3.375 1.00 0.00 N ATOM 0 H HIS A 8 -21.833 13.228 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.775 13.729 -4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -20.724 11.518 -2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -20.368 11.041 -3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.526 13.601 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.178 12.682 -1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.262 13.933 -3.763 1.00 0.00 H new ATOM 83 N SER A 9 -21.711 12.153 -6.054 1.00 0.00 N ATOM 84 CA SER A 9 -22.468 11.630 -7.179 1.00 0.00 C ATOM 85 C SER A 9 -21.817 10.345 -7.694 1.00 0.00 C ATOM 86 O SER A 9 -20.695 10.016 -7.312 1.00 0.00 O ATOM 87 CB SER A 9 -22.568 12.662 -8.303 1.00 0.00 C ATOM 88 OG SER A 9 -23.502 12.272 -9.305 1.00 0.00 O ATOM 0 H SER A 9 -20.723 12.320 -6.245 1.00 0.00 H new ATOM 0 HA SER A 9 -23.479 11.407 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 9 -22.865 13.624 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 9 -21.587 12.800 -8.757 1.00 0.00 H new ATOM 0 HG SER A 9 -23.538 12.958 -10.004 1.00 0.00 H new ATOM 94 N HIS A 10 -22.549 9.652 -8.554 1.00 0.00 N ATOM 95 CA HIS A 10 -22.057 8.410 -9.126 1.00 0.00 C ATOM 96 C HIS A 10 -21.021 8.719 -10.209 1.00 0.00 C ATOM 97 O HIS A 10 -21.163 9.690 -10.950 1.00 0.00 O ATOM 98 CB HIS A 10 -23.215 7.553 -9.640 1.00 0.00 C ATOM 99 CG HIS A 10 -23.857 6.688 -8.582 1.00 0.00 C ATOM 100 ND1 HIS A 10 -23.189 5.650 -7.956 1.00 0.00 N ATOM 101 CD2 HIS A 10 -25.110 6.719 -8.045 1.00 0.00 C ATOM 102 CE1 HIS A 10 -24.014 5.087 -7.084 1.00 0.00 C ATOM 103 NE2 HIS A 10 -25.204 5.751 -7.141 1.00 0.00 N ATOM 0 H HIS A 10 -23.479 9.927 -8.869 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.560 7.821 -8.355 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.974 8.207 -10.070 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -22.851 6.914 -10.445 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.893 7.413 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -23.784 4.250 -6.442 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.030 5.539 -6.581 1.00 0.00 H new ATOM 111 N SER A 11 -20.003 7.873 -10.266 1.00 0.00 N ATOM 112 CA SER A 11 -18.944 8.043 -11.246 1.00 0.00 C ATOM 113 C SER A 11 -17.970 6.865 -11.174 1.00 0.00 C ATOM 114 O SER A 11 -16.855 7.006 -10.676 1.00 0.00 O ATOM 115 CB SER A 11 -18.198 9.361 -11.028 1.00 0.00 C ATOM 116 OG SER A 11 -17.942 10.039 -12.255 1.00 0.00 O ATOM 0 H SER A 11 -19.889 7.068 -9.650 1.00 0.00 H new ATOM 0 HA SER A 11 -19.397 8.072 -12.237 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.785 10.006 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.254 9.164 -10.519 1.00 0.00 H new ATOM 0 HG SER A 11 -17.466 10.876 -12.073 1.00 0.00 H new ATOM 122 N ASP A 12 -18.428 5.729 -11.680 1.00 0.00 N ATOM 123 CA ASP A 12 -17.612 4.527 -11.679 1.00 0.00 C ATOM 124 C ASP A 12 -17.482 4.003 -13.111 1.00 0.00 C ATOM 125 O ASP A 12 -18.097 3.000 -13.467 1.00 0.00 O ATOM 126 CB ASP A 12 -18.253 3.427 -10.830 1.00 0.00 C ATOM 127 CG ASP A 12 -19.658 3.008 -11.267 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.464 3.923 -11.540 1.00 0.00 O ATOM 129 OD2 ASP A 12 -19.894 1.781 -11.319 1.00 0.00 O ATOM 0 H ASP A 12 -19.354 5.616 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.637 4.782 -11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.606 2.550 -10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.297 3.767 -9.795 1.00 0.00 H new ATOM 134 N LYS A 13 -16.676 4.707 -13.893 1.00 0.00 N ATOM 135 CA LYS A 13 -16.457 4.326 -15.278 1.00 0.00 C ATOM 136 C LYS A 13 -15.594 3.064 -15.325 1.00 0.00 C ATOM 137 O LYS A 13 -16.063 1.975 -14.996 1.00 0.00 O ATOM 138 CB LYS A 13 -15.876 5.498 -16.071 1.00 0.00 C ATOM 139 CG LYS A 13 -16.943 6.561 -16.341 1.00 0.00 C ATOM 140 CD LYS A 13 -16.820 7.112 -17.763 1.00 0.00 C ATOM 141 CE LYS A 13 -17.779 6.394 -18.714 1.00 0.00 C ATOM 142 NZ LYS A 13 -17.263 6.439 -20.101 1.00 0.00 N ATOM 0 H LYS A 13 -16.167 5.539 -13.594 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.404 4.083 -15.760 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.048 5.941 -15.518 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.470 5.137 -17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.934 6.131 -16.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.842 7.374 -15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.035 8.181 -17.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.796 6.993 -18.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.905 5.358 -18.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.763 6.862 -18.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.926 5.947 -20.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.166 7.429 -20.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.335 5.972 -20.141 1.00 0.00 H new ATOM 156 N HIS A 14 -14.349 3.252 -15.735 1.00 0.00 N ATOM 157 CA HIS A 14 -13.416 2.142 -15.829 1.00 0.00 C ATOM 158 C HIS A 14 -12.579 2.065 -14.551 1.00 0.00 C ATOM 159 O HIS A 14 -12.218 3.092 -13.978 1.00 0.00 O ATOM 160 CB HIS A 14 -12.560 2.257 -17.092 1.00 0.00 C ATOM 161 CG HIS A 14 -13.335 2.655 -18.325 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.830 1.733 -19.231 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.696 3.885 -18.792 1.00 0.00 C ATOM 164 CE1 HIS A 14 -14.457 2.389 -20.196 1.00 0.00 C ATOM 165 NE2 HIS A 14 -14.373 3.723 -19.923 1.00 0.00 N ATOM 0 H HIS A 14 -13.964 4.157 -16.006 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.967 1.206 -15.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.772 2.990 -16.919 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.071 1.300 -17.276 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.470 4.830 -18.322 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.949 1.946 -21.049 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.765 4.472 -20.493 1.00 0.00 H new ATOM 173 N PRO A 15 -12.287 0.805 -14.130 1.00 0.00 N ATOM 174 CA PRO A 15 -11.500 0.581 -12.930 1.00 0.00 C ATOM 175 C PRO A 15 -10.020 0.877 -13.182 1.00 0.00 C ATOM 176 O PRO A 15 -9.338 1.428 -12.319 1.00 0.00 O ATOM 177 CB PRO A 15 -11.760 -0.869 -12.554 1.00 0.00 C ATOM 178 CG PRO A 15 -12.309 -1.532 -13.806 1.00 0.00 C ATOM 179 CD PRO A 15 -12.698 -0.434 -14.783 1.00 0.00 C ATOM 0 HA PRO A 15 -11.779 1.247 -12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.843 -1.357 -12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.472 -0.938 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.561 -2.190 -14.249 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.173 -2.150 -13.563 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.196 -0.561 -15.742 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.770 -0.441 -14.980 1.00 0.00 H new ATOM 187 N VAL A 16 -9.567 0.497 -14.368 1.00 0.00 N ATOM 188 CA VAL A 16 -8.180 0.715 -14.744 1.00 0.00 C ATOM 189 C VAL A 16 -8.097 1.907 -15.700 1.00 0.00 C ATOM 190 O VAL A 16 -8.880 2.006 -16.644 1.00 0.00 O ATOM 191 CB VAL A 16 -7.591 -0.567 -15.334 1.00 0.00 C ATOM 192 CG1 VAL A 16 -6.085 -0.424 -15.561 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.899 -1.773 -14.444 1.00 0.00 C ATOM 0 H VAL A 16 -10.136 0.040 -15.081 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.580 0.959 -13.867 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.062 -0.737 -16.302 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.691 -1.349 -15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.898 0.397 -16.253 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.592 -0.218 -14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.469 -2.671 -14.887 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.469 -1.614 -13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.979 -1.894 -14.355 1.00 0.00 H new ATOM 203 N THR A 17 -7.142 2.781 -15.423 1.00 0.00 N ATOM 204 CA THR A 17 -6.946 3.962 -16.247 1.00 0.00 C ATOM 205 C THR A 17 -5.467 4.352 -16.278 1.00 0.00 C ATOM 206 O THR A 17 -4.842 4.514 -15.231 1.00 0.00 O ATOM 207 CB THR A 17 -7.855 5.069 -15.710 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.047 4.726 -14.340 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.261 5.015 -16.309 1.00 0.00 C ATOM 0 H THR A 17 -6.495 2.696 -14.639 1.00 0.00 H new ATOM 0 HA THR A 17 -7.221 3.770 -17.284 1.00 0.00 H new ATOM 0 HB THR A 17 -7.408 6.040 -15.922 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.624 5.393 -13.914 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.865 5.822 -15.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.200 5.127 -17.391 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.722 4.057 -16.069 1.00 0.00 H new ATOM 217 N TRP A 18 -4.950 4.491 -17.490 1.00 0.00 N ATOM 218 CA TRP A 18 -3.555 4.858 -17.671 1.00 0.00 C ATOM 219 C TRP A 18 -3.509 6.144 -18.499 1.00 0.00 C ATOM 220 O TRP A 18 -3.804 6.129 -19.693 1.00 0.00 O ATOM 221 CB TRP A 18 -2.764 3.712 -18.303 1.00 0.00 C ATOM 222 CG TRP A 18 -2.570 2.507 -17.381 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.358 1.431 -17.252 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.480 2.297 -16.458 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.858 0.547 -16.317 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.680 1.090 -15.819 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.362 3.101 -16.172 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.804 0.579 -14.854 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.504 2.576 -15.205 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.317 1.363 -14.553 1.00 0.00 C ATOM 0 H TRP A 18 -5.472 4.356 -18.356 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.077 5.045 -16.709 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.277 3.385 -19.207 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.786 4.084 -18.608 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.270 1.275 -17.809 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.277 -0.342 -16.042 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.185 4.048 -16.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.983 -0.369 -14.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.379 3.154 -14.948 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.033 1.026 -13.818 1.00 0.00 H new ATOM 241 N GLN A 19 -3.137 7.227 -17.831 1.00 0.00 N ATOM 242 CA GLN A 19 -3.049 8.519 -18.490 1.00 0.00 C ATOM 243 C GLN A 19 -1.785 9.256 -18.044 1.00 0.00 C ATOM 244 O GLN A 19 -1.285 9.029 -16.944 1.00 0.00 O ATOM 245 CB GLN A 19 -4.299 9.359 -18.220 1.00 0.00 C ATOM 246 CG GLN A 19 -5.527 8.468 -18.024 1.00 0.00 C ATOM 247 CD GLN A 19 -5.625 7.979 -16.578 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.084 6.951 -16.204 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.344 8.771 -15.787 1.00 0.00 N ATOM 0 H GLN A 19 -2.893 7.236 -16.841 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.989 8.354 -19.566 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.145 9.972 -17.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.470 10.041 -19.053 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.428 9.022 -18.286 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.471 7.613 -18.698 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.770 9.618 -16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.469 8.532 -14.803 1.00 0.00 H new ATOM 258 N PRO A 20 -1.292 10.148 -18.945 1.00 0.00 N ATOM 259 CA PRO A 20 -0.096 10.920 -18.656 1.00 0.00 C ATOM 260 C PRO A 20 -0.395 12.041 -17.658 1.00 0.00 C ATOM 261 O PRO A 20 -1.552 12.408 -17.460 1.00 0.00 O ATOM 262 CB PRO A 20 0.376 11.437 -20.005 1.00 0.00 C ATOM 263 CG PRO A 20 -0.822 11.326 -20.935 1.00 0.00 C ATOM 264 CD PRO A 20 -1.857 10.443 -20.258 1.00 0.00 C ATOM 0 HA PRO A 20 0.683 10.325 -18.178 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.718 12.469 -19.930 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.215 10.849 -20.377 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.238 12.312 -21.141 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.524 10.899 -21.893 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.816 10.953 -20.171 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.032 9.530 -20.828 1.00 0.00 H new ATOM 272 N SER A 21 0.668 12.555 -17.057 1.00 0.00 N ATOM 273 CA SER A 21 0.534 13.626 -16.085 1.00 0.00 C ATOM 274 C SER A 21 -0.001 14.887 -16.767 1.00 0.00 C ATOM 275 O SER A 21 -0.188 14.908 -17.983 1.00 0.00 O ATOM 276 CB SER A 21 1.870 13.920 -15.400 1.00 0.00 C ATOM 277 OG SER A 21 2.711 14.745 -16.202 1.00 0.00 O ATOM 0 H SER A 21 1.626 12.249 -17.225 1.00 0.00 H new ATOM 0 HA SER A 21 -0.173 13.306 -15.319 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.687 14.410 -14.444 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.381 12.982 -15.185 1.00 0.00 H new ATOM 0 HG SER A 21 3.553 14.911 -15.729 1.00 0.00 H new ATOM 283 N LYS A 22 -0.233 15.908 -15.955 1.00 0.00 N ATOM 284 CA LYS A 22 -0.743 17.169 -16.464 1.00 0.00 C ATOM 285 C LYS A 22 0.035 17.557 -17.724 1.00 0.00 C ATOM 286 O LYS A 22 -0.560 17.818 -18.769 1.00 0.00 O ATOM 287 CB LYS A 22 -0.716 18.239 -15.371 1.00 0.00 C ATOM 288 CG LYS A 22 -1.553 19.455 -15.773 1.00 0.00 C ATOM 289 CD LYS A 22 -2.733 19.647 -14.818 1.00 0.00 C ATOM 290 CE LYS A 22 -3.205 21.103 -14.815 1.00 0.00 C ATOM 291 NZ LYS A 22 -3.498 21.550 -13.435 1.00 0.00 N ATOM 0 H LYS A 22 -0.077 15.887 -14.947 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.789 17.068 -16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.098 17.822 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.313 18.547 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.928 20.348 -15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.921 19.327 -16.791 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.555 18.995 -15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.441 19.354 -13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.438 21.741 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.097 21.204 -15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.817 22.540 -13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.245 20.952 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.638 21.473 -12.855 1.00 0.00 H new ATOM 305 N ASP A 23 1.352 17.582 -17.583 1.00 0.00 N ATOM 306 CA ASP A 23 2.217 17.933 -18.697 1.00 0.00 C ATOM 307 C ASP A 23 2.158 16.826 -19.751 1.00 0.00 C ATOM 308 O ASP A 23 1.359 16.894 -20.684 1.00 0.00 O ATOM 309 CB ASP A 23 3.670 18.076 -18.241 1.00 0.00 C ATOM 310 CG ASP A 23 4.007 19.404 -17.560 1.00 0.00 C ATOM 311 OD1 ASP A 23 3.898 20.440 -18.252 1.00 0.00 O ATOM 312 OD2 ASP A 23 4.366 19.354 -16.364 1.00 0.00 O ATOM 0 H ASP A 23 1.841 17.365 -16.715 1.00 0.00 H new ATOM 0 HA ASP A 23 1.872 18.883 -19.106 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.900 17.263 -17.552 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.320 17.954 -19.107 1.00 0.00 H new ATOM 317 N GLY A 24 3.016 15.833 -19.568 1.00 0.00 N ATOM 318 CA GLY A 24 3.072 14.713 -20.492 1.00 0.00 C ATOM 319 C GLY A 24 4.432 14.016 -20.427 1.00 0.00 C ATOM 320 O GLY A 24 5.011 13.679 -21.459 1.00 0.00 O ATOM 0 H GLY A 24 3.678 15.781 -18.794 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.282 14.000 -20.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.888 15.065 -21.507 1.00 0.00 H new ATOM 324 N ASP A 25 4.903 13.821 -19.205 1.00 0.00 N ATOM 325 CA ASP A 25 6.185 13.170 -18.991 1.00 0.00 C ATOM 326 C ASP A 25 5.973 11.887 -18.185 1.00 0.00 C ATOM 327 O ASP A 25 6.511 10.836 -18.531 1.00 0.00 O ATOM 328 CB ASP A 25 7.136 14.072 -18.203 1.00 0.00 C ATOM 329 CG ASP A 25 7.754 15.219 -19.005 1.00 0.00 C ATOM 330 OD1 ASP A 25 6.967 16.066 -19.481 1.00 0.00 O ATOM 331 OD2 ASP A 25 8.998 15.224 -19.123 1.00 0.00 O ATOM 0 H ASP A 25 4.420 14.102 -18.352 1.00 0.00 H new ATOM 0 HA ASP A 25 6.620 12.953 -19.967 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.595 14.492 -17.355 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.940 13.459 -17.796 1.00 0.00 H new ATOM 336 N ARG A 26 5.187 12.015 -17.126 1.00 0.00 N ATOM 337 CA ARG A 26 4.897 10.879 -16.268 1.00 0.00 C ATOM 338 C ARG A 26 3.570 10.233 -16.673 1.00 0.00 C ATOM 339 O ARG A 26 2.623 10.928 -17.037 1.00 0.00 O ATOM 340 CB ARG A 26 4.823 11.302 -14.800 1.00 0.00 C ATOM 341 CG ARG A 26 6.209 11.272 -14.151 1.00 0.00 C ATOM 342 CD ARG A 26 6.334 10.097 -13.179 1.00 0.00 C ATOM 343 NE ARG A 26 7.101 10.509 -11.983 1.00 0.00 N ATOM 344 CZ ARG A 26 7.585 9.655 -11.070 1.00 0.00 C ATOM 345 NH1 ARG A 26 7.383 8.338 -11.211 1.00 0.00 N ATOM 346 NH2 ARG A 26 8.270 10.119 -10.015 1.00 0.00 N ATOM 0 H ARG A 26 4.742 12.888 -16.843 1.00 0.00 H new ATOM 0 HA ARG A 26 5.707 10.159 -16.386 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.405 12.306 -14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.150 10.637 -14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.974 11.193 -14.923 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.387 12.208 -13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.343 9.751 -12.884 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.831 9.260 -13.669 1.00 0.00 H new ATOM 0 HE ARG A 26 7.272 11.505 -11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.861 7.985 -12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.751 7.688 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.423 11.122 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.638 9.469 -9.320 1.00 0.00 H new ATOM 360 N LEU A 27 3.545 8.910 -16.596 1.00 0.00 N ATOM 361 CA LEU A 27 2.350 8.163 -16.950 1.00 0.00 C ATOM 362 C LEU A 27 1.683 7.642 -15.675 1.00 0.00 C ATOM 363 O LEU A 27 2.161 6.684 -15.068 1.00 0.00 O ATOM 364 CB LEU A 27 2.684 7.066 -17.962 1.00 0.00 C ATOM 365 CG LEU A 27 1.591 6.738 -18.981 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.290 7.467 -18.643 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.063 7.036 -20.406 1.00 0.00 C ATOM 0 H LEU A 27 4.333 8.337 -16.294 1.00 0.00 H new ATOM 0 HA LEU A 27 1.628 8.812 -17.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.582 7.361 -18.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.927 6.156 -17.414 1.00 0.00 H new ATOM 0 HG LEU A 27 1.383 5.669 -18.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.470 7.216 -19.383 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.052 7.162 -17.654 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.463 8.543 -18.651 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.267 6.794 -21.111 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.315 8.093 -20.492 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.943 6.433 -20.631 1.00 0.00 H new ATOM 379 N ILE A 28 0.591 8.295 -15.307 1.00 0.00 N ATOM 380 CA ILE A 28 -0.146 7.909 -14.115 1.00 0.00 C ATOM 381 C ILE A 28 -1.141 6.803 -14.472 1.00 0.00 C ATOM 382 O ILE A 28 -1.867 6.912 -15.459 1.00 0.00 O ATOM 383 CB ILE A 28 -0.794 9.134 -13.466 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.136 10.347 -13.536 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.230 8.827 -12.032 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.544 9.988 -13.057 1.00 0.00 C ATOM 0 H ILE A 28 0.198 9.089 -15.813 1.00 0.00 H new ATOM 0 HA ILE A 28 0.530 7.500 -13.364 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.693 9.385 -14.029 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.180 10.717 -14.560 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.266 11.153 -12.923 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.687 9.714 -11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.953 8.011 -12.038 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.361 8.537 -11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.184 10.868 -13.117 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.500 9.641 -12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.953 9.198 -13.688 1.00 0.00 H new ATOM 398 N GLY A 29 -1.143 5.765 -13.649 1.00 0.00 N ATOM 399 CA GLY A 29 -2.037 4.640 -13.865 1.00 0.00 C ATOM 400 C GLY A 29 -2.852 4.338 -12.606 1.00 0.00 C ATOM 401 O GLY A 29 -2.357 4.490 -11.491 1.00 0.00 O ATOM 0 H GLY A 29 -0.540 5.679 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.710 4.859 -14.694 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.459 3.760 -14.148 1.00 0.00 H new ATOM 405 N ARG A 30 -4.088 3.915 -12.828 1.00 0.00 N ATOM 406 CA ARG A 30 -4.977 3.590 -11.725 1.00 0.00 C ATOM 407 C ARG A 30 -5.403 2.122 -11.801 1.00 0.00 C ATOM 408 O ARG A 30 -5.561 1.574 -12.891 1.00 0.00 O ATOM 409 CB ARG A 30 -6.223 4.477 -11.741 1.00 0.00 C ATOM 410 CG ARG A 30 -6.304 5.332 -10.475 1.00 0.00 C ATOM 411 CD ARG A 30 -7.742 5.407 -9.956 1.00 0.00 C ATOM 412 NE ARG A 30 -8.037 6.777 -9.482 1.00 0.00 N ATOM 413 CZ ARG A 30 -8.233 7.826 -10.292 1.00 0.00 C ATOM 414 NH1 ARG A 30 -8.165 7.668 -11.621 1.00 0.00 N ATOM 415 NH2 ARG A 30 -8.496 9.034 -9.774 1.00 0.00 N ATOM 0 H ARG A 30 -4.495 3.790 -13.755 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.432 3.766 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.203 5.122 -12.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.115 3.856 -11.822 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.657 4.911 -9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.937 6.336 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.438 5.129 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.882 4.694 -9.144 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.095 6.933 -8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.964 6.749 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.314 8.467 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.547 9.155 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.645 9.832 -10.391 1.00 0.00 H new ATOM 429 N ILE A 31 -5.576 1.527 -10.630 1.00 0.00 N ATOM 430 CA ILE A 31 -5.981 0.134 -10.551 1.00 0.00 C ATOM 431 C ILE A 31 -7.004 -0.032 -9.425 1.00 0.00 C ATOM 432 O ILE A 31 -6.657 0.056 -8.249 1.00 0.00 O ATOM 433 CB ILE A 31 -4.757 -0.772 -10.408 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.969 -0.840 -11.718 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.158 -2.161 -9.907 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.905 0.258 -11.775 1.00 0.00 C ATOM 0 H ILE A 31 -5.443 1.984 -9.728 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.471 -0.174 -11.475 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.097 -0.338 -9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.494 -1.817 -11.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.650 -0.735 -12.562 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.269 -2.785 -9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.642 -2.071 -8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.849 -2.618 -10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.359 0.187 -12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.385 1.234 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.211 0.136 -10.943 1.00 0.00 H new ATOM 448 N LEU A 32 -8.244 -0.269 -9.827 1.00 0.00 N ATOM 449 CA LEU A 32 -9.320 -0.448 -8.866 1.00 0.00 C ATOM 450 C LEU A 32 -9.665 -1.936 -8.765 1.00 0.00 C ATOM 451 O LEU A 32 -10.107 -2.542 -9.740 1.00 0.00 O ATOM 452 CB LEU A 32 -10.515 0.437 -9.229 1.00 0.00 C ATOM 453 CG LEU A 32 -11.784 0.221 -8.402 1.00 0.00 C ATOM 454 CD1 LEU A 32 -11.747 1.046 -7.114 1.00 0.00 C ATOM 455 CD2 LEU A 32 -13.035 0.512 -9.233 1.00 0.00 C ATOM 0 H LEU A 32 -8.528 -0.341 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.003 -0.125 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.213 1.480 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.757 0.274 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.827 -0.828 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.661 0.874 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.886 0.748 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.668 2.104 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.923 0.351 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.012 1.547 -9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.062 -0.154 -10.095 1.00 0.00 H new ATOM 467 N LEU A 33 -9.450 -2.481 -7.577 1.00 0.00 N ATOM 468 CA LEU A 33 -9.733 -3.885 -7.336 1.00 0.00 C ATOM 469 C LEU A 33 -11.084 -4.015 -6.631 1.00 0.00 C ATOM 470 O LEU A 33 -11.427 -3.195 -5.780 1.00 0.00 O ATOM 471 CB LEU A 33 -8.578 -4.541 -6.576 1.00 0.00 C ATOM 472 CG LEU A 33 -7.262 -4.677 -7.344 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.509 -4.717 -8.854 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.281 -3.570 -6.954 1.00 0.00 C ATOM 0 H LEU A 33 -9.083 -1.975 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.812 -4.425 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.390 -3.963 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.895 -5.535 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.803 -5.626 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.557 -4.814 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.144 -5.569 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.002 -3.796 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.354 -3.691 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.719 -2.598 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.070 -3.631 -5.886 1.00 0.00 H new ATOM 486 N ASN A 34 -11.817 -5.052 -7.011 1.00 0.00 N ATOM 487 CA ASN A 34 -13.123 -5.300 -6.426 1.00 0.00 C ATOM 488 C ASN A 34 -13.281 -6.798 -6.158 1.00 0.00 C ATOM 489 O ASN A 34 -13.224 -7.607 -7.082 1.00 0.00 O ATOM 490 CB ASN A 34 -14.243 -4.870 -7.376 1.00 0.00 C ATOM 491 CG ASN A 34 -15.618 -5.130 -6.758 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.070 -6.257 -6.640 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.254 -4.029 -6.370 1.00 0.00 N ATOM 0 H ASN A 34 -11.530 -5.730 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.193 -4.726 -5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.140 -3.810 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.155 -5.413 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.178 -4.097 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.818 -3.116 -6.498 1.00 0.00 H new ATOM 500 N LYS A 35 -13.476 -7.122 -4.888 1.00 0.00 N ATOM 501 CA LYS A 35 -13.643 -8.508 -4.486 1.00 0.00 C ATOM 502 C LYS A 35 -15.109 -8.759 -4.129 1.00 0.00 C ATOM 503 O LYS A 35 -15.509 -9.898 -3.897 1.00 0.00 O ATOM 504 CB LYS A 35 -12.668 -8.861 -3.361 1.00 0.00 C ATOM 505 CG LYS A 35 -13.052 -8.153 -2.060 1.00 0.00 C ATOM 506 CD LYS A 35 -12.181 -6.915 -1.831 1.00 0.00 C ATOM 507 CE LYS A 35 -10.723 -7.309 -1.586 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.810 -6.295 -2.159 1.00 0.00 N ATOM 0 H LYS A 35 -13.522 -6.448 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.397 -9.175 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.663 -9.940 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.656 -8.576 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.102 -7.862 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.941 -8.840 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.243 -6.257 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.558 -6.353 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.541 -7.407 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.523 -8.282 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.882 -6.727 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.206 -5.936 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.700 -5.508 -1.488 1.00 0.00 H new ATOM 522 N ARG A 36 -15.871 -7.675 -4.097 1.00 0.00 N ATOM 523 CA ARG A 36 -17.285 -7.763 -3.773 1.00 0.00 C ATOM 524 C ARG A 36 -17.957 -8.845 -4.621 1.00 0.00 C ATOM 525 O ARG A 36 -17.988 -8.748 -5.847 1.00 0.00 O ATOM 526 CB ARG A 36 -17.989 -6.426 -4.013 1.00 0.00 C ATOM 527 CG ARG A 36 -18.131 -5.640 -2.708 1.00 0.00 C ATOM 528 CD ARG A 36 -18.874 -4.323 -2.939 1.00 0.00 C ATOM 529 NE ARG A 36 -20.293 -4.466 -2.544 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.249 -3.576 -2.842 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.944 -2.473 -3.540 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.510 -3.788 -2.442 1.00 0.00 N ATOM 0 H ARG A 36 -15.536 -6.731 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.368 -8.020 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.424 -5.838 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.974 -6.602 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -18.668 -6.241 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.144 -5.437 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.406 -3.526 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.807 -4.038 -3.989 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.560 -5.294 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.984 -2.311 -3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.672 -1.795 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.742 -4.627 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.238 -3.110 -2.669 1.00 0.00 H new ATOM 546 N LEU A 37 -18.479 -9.850 -3.934 1.00 0.00 N ATOM 547 CA LEU A 37 -19.150 -10.949 -4.608 1.00 0.00 C ATOM 548 C LEU A 37 -20.139 -10.387 -5.631 1.00 0.00 C ATOM 549 O LEU A 37 -20.358 -9.178 -5.688 1.00 0.00 O ATOM 550 CB LEU A 37 -19.789 -11.893 -3.588 1.00 0.00 C ATOM 551 CG LEU A 37 -18.821 -12.724 -2.744 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.518 -13.286 -1.503 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.168 -13.825 -3.582 1.00 0.00 C ATOM 0 H LEU A 37 -18.451 -9.927 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.430 -11.554 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.411 -11.302 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.453 -12.574 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.023 -12.068 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.807 -13.873 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.895 -12.464 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.349 -13.922 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.485 -14.401 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.939 -14.485 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.615 -13.375 -4.406 1.00 0.00 H new ATOM 565 N LYS A 38 -20.711 -11.291 -6.412 1.00 0.00 N ATOM 566 CA LYS A 38 -21.672 -10.900 -7.430 1.00 0.00 C ATOM 567 C LYS A 38 -22.905 -10.296 -6.755 1.00 0.00 C ATOM 568 O LYS A 38 -23.658 -9.552 -7.381 1.00 0.00 O ATOM 569 CB LYS A 38 -21.990 -12.082 -8.348 1.00 0.00 C ATOM 570 CG LYS A 38 -21.984 -11.652 -9.817 1.00 0.00 C ATOM 571 CD LYS A 38 -22.998 -12.460 -10.629 1.00 0.00 C ATOM 572 CE LYS A 38 -24.143 -11.571 -11.118 1.00 0.00 C ATOM 573 NZ LYS A 38 -24.158 -11.513 -12.597 1.00 0.00 N ATOM 0 H LYS A 38 -20.528 -12.293 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.252 -10.129 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.257 -12.874 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.965 -12.495 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.218 -10.590 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.987 -11.788 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.501 -12.921 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.397 -13.269 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.094 -11.959 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -24.031 -10.567 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -24.941 -10.906 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.257 -11.122 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.287 -12.471 -12.981 1.00 0.00 H new ATOM 587 N ASP A 39 -23.074 -10.640 -5.487 1.00 0.00 N ATOM 588 CA ASP A 39 -24.204 -10.142 -4.720 1.00 0.00 C ATOM 589 C ASP A 39 -23.752 -8.953 -3.870 1.00 0.00 C ATOM 590 O ASP A 39 -24.295 -8.713 -2.793 1.00 0.00 O ATOM 591 CB ASP A 39 -24.748 -11.217 -3.778 1.00 0.00 C ATOM 592 CG ASP A 39 -25.834 -12.112 -4.377 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.375 -11.719 -5.434 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.100 -13.169 -3.765 1.00 0.00 O ATOM 0 H ASP A 39 -22.447 -11.258 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 39 -24.985 -9.850 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.920 -11.846 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -25.149 -10.731 -2.889 1.00 0.00 H new ATOM 599 N GLY A 40 -22.762 -8.239 -4.386 1.00 0.00 N ATOM 600 CA GLY A 40 -22.231 -7.081 -3.687 1.00 0.00 C ATOM 601 C GLY A 40 -21.973 -7.400 -2.214 1.00 0.00 C ATOM 602 O GLY A 40 -22.536 -6.759 -1.328 1.00 0.00 O ATOM 0 H GLY A 40 -22.314 -8.440 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.304 -6.760 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.933 -6.251 -3.765 1.00 0.00 H new ATOM 606 N SER A 41 -21.120 -8.391 -1.997 1.00 0.00 N ATOM 607 CA SER A 41 -20.780 -8.804 -0.646 1.00 0.00 C ATOM 608 C SER A 41 -19.395 -9.452 -0.629 1.00 0.00 C ATOM 609 O SER A 41 -19.135 -10.389 -1.383 1.00 0.00 O ATOM 610 CB SER A 41 -21.825 -9.771 -0.086 1.00 0.00 C ATOM 611 OG SER A 41 -22.396 -10.589 -1.104 1.00 0.00 O ATOM 0 H SER A 41 -20.654 -8.920 -2.734 1.00 0.00 H new ATOM 0 HA SER A 41 -20.767 -7.918 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.364 -10.404 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.614 -9.205 0.409 1.00 0.00 H new ATOM 0 HG SER A 41 -23.102 -10.091 -1.566 1.00 0.00 H new ATOM 617 N VAL A 42 -18.541 -8.927 0.237 1.00 0.00 N ATOM 618 CA VAL A 42 -17.188 -9.443 0.361 1.00 0.00 C ATOM 619 C VAL A 42 -17.199 -10.679 1.263 1.00 0.00 C ATOM 620 O VAL A 42 -17.819 -10.671 2.325 1.00 0.00 O ATOM 621 CB VAL A 42 -16.253 -8.342 0.866 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.848 -8.892 1.121 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.213 -7.166 -0.111 1.00 0.00 C ATOM 0 H VAL A 42 -18.760 -8.149 0.860 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.807 -9.754 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.647 -7.976 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.203 -8.090 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.897 -9.681 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.442 -9.298 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.541 -6.398 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.855 -7.511 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.215 -6.750 -0.221 1.00 0.00 H new ATOM 633 N PRO A 43 -16.487 -11.738 0.794 1.00 0.00 N ATOM 634 CA PRO A 43 -16.409 -12.979 1.547 1.00 0.00 C ATOM 635 C PRO A 43 -15.470 -12.835 2.746 1.00 0.00 C ATOM 636 O PRO A 43 -14.774 -11.829 2.877 1.00 0.00 O ATOM 637 CB PRO A 43 -15.935 -14.018 0.544 1.00 0.00 C ATOM 638 CG PRO A 43 -15.322 -13.237 -0.607 1.00 0.00 C ATOM 639 CD PRO A 43 -15.740 -11.783 -0.459 1.00 0.00 C ATOM 0 HA PRO A 43 -17.366 -13.269 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.204 -14.690 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.765 -14.635 0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.236 -13.325 -0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.661 -13.636 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.873 -11.123 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.355 -11.460 -1.299 1.00 0.00 H new ATOM 647 N ARG A 44 -15.482 -13.855 3.592 1.00 0.00 N ATOM 648 CA ARG A 44 -14.640 -13.854 4.777 1.00 0.00 C ATOM 649 C ARG A 44 -13.254 -13.300 4.443 1.00 0.00 C ATOM 650 O ARG A 44 -12.644 -12.610 5.258 1.00 0.00 O ATOM 651 CB ARG A 44 -14.494 -15.266 5.349 1.00 0.00 C ATOM 652 CG ARG A 44 -15.701 -15.635 6.213 1.00 0.00 C ATOM 653 CD ARG A 44 -16.468 -16.813 5.609 1.00 0.00 C ATOM 654 NE ARG A 44 -17.751 -16.345 5.041 1.00 0.00 N ATOM 655 CZ ARG A 44 -18.702 -17.158 4.562 1.00 0.00 C ATOM 656 NH1 ARG A 44 -18.520 -18.485 4.579 1.00 0.00 N ATOM 657 NH2 ARG A 44 -19.836 -16.644 4.065 1.00 0.00 N ATOM 0 H ARG A 44 -16.061 -14.687 3.481 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.118 -13.219 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.392 -15.983 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.583 -15.329 5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.368 -15.891 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.363 -14.774 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.869 -17.287 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.653 -17.567 6.374 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.923 -15.340 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.657 -18.877 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.244 -19.104 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.975 -15.634 4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.560 -17.263 3.700 1.00 0.00 H new ATOM 671 N ASP A 45 -12.796 -13.624 3.242 1.00 0.00 N ATOM 672 CA ASP A 45 -11.493 -13.167 2.790 1.00 0.00 C ATOM 673 C ASP A 45 -11.273 -13.616 1.344 1.00 0.00 C ATOM 674 O ASP A 45 -11.014 -14.791 1.088 1.00 0.00 O ATOM 675 CB ASP A 45 -10.373 -13.763 3.646 1.00 0.00 C ATOM 676 CG ASP A 45 -10.601 -15.208 4.094 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.852 -16.046 3.201 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.518 -15.442 5.319 1.00 0.00 O ATOM 0 H ASP A 45 -13.304 -14.197 2.569 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.470 -12.080 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.441 -13.716 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.242 -13.140 4.531 1.00 0.00 H new ATOM 683 N SER A 46 -11.384 -12.657 0.437 1.00 0.00 N ATOM 684 CA SER A 46 -11.200 -12.940 -0.977 1.00 0.00 C ATOM 685 C SER A 46 -9.726 -12.784 -1.354 1.00 0.00 C ATOM 686 O SER A 46 -9.117 -13.711 -1.888 1.00 0.00 O ATOM 687 CB SER A 46 -12.069 -12.022 -1.839 1.00 0.00 C ATOM 688 OG SER A 46 -12.504 -12.666 -3.034 1.00 0.00 O ATOM 0 H SER A 46 -11.599 -11.684 0.653 1.00 0.00 H new ATOM 0 HA SER A 46 -11.509 -13.969 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.937 -11.700 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.505 -11.125 -2.095 1.00 0.00 H new ATOM 0 HG SER A 46 -13.057 -12.048 -3.556 1.00 0.00 H new ATOM 694 N GLY A 47 -9.194 -11.606 -1.063 1.00 0.00 N ATOM 695 CA GLY A 47 -7.803 -11.318 -1.365 1.00 0.00 C ATOM 696 C GLY A 47 -7.371 -9.987 -0.744 1.00 0.00 C ATOM 697 O GLY A 47 -7.230 -8.987 -1.446 1.00 0.00 O ATOM 0 H GLY A 47 -9.702 -10.840 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.171 -12.122 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.661 -11.282 -2.445 1.00 0.00 H new ATOM 701 N ALA A 48 -7.174 -10.019 0.565 1.00 0.00 N ATOM 702 CA ALA A 48 -6.761 -8.828 1.289 1.00 0.00 C ATOM 703 C ALA A 48 -5.538 -8.218 0.602 1.00 0.00 C ATOM 704 O ALA A 48 -5.446 -7.000 0.457 1.00 0.00 O ATOM 705 CB ALA A 48 -6.491 -9.187 2.751 1.00 0.00 C ATOM 0 H ALA A 48 -7.292 -10.850 1.144 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.552 -8.079 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.181 -8.294 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.399 -9.588 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.700 -9.935 2.802 1.00 0.00 H new ATOM 711 N MET A 49 -4.628 -9.092 0.199 1.00 0.00 N ATOM 712 CA MET A 49 -3.414 -8.655 -0.469 1.00 0.00 C ATOM 713 C MET A 49 -3.663 -8.418 -1.960 1.00 0.00 C ATOM 714 O MET A 49 -2.725 -8.180 -2.719 1.00 0.00 O ATOM 715 CB MET A 49 -2.325 -9.716 -0.295 1.00 0.00 C ATOM 716 CG MET A 49 -1.187 -9.194 0.585 1.00 0.00 C ATOM 717 SD MET A 49 0.270 -8.912 -0.406 1.00 0.00 S ATOM 718 CE MET A 49 0.731 -7.288 0.176 1.00 0.00 C ATOM 0 H MET A 49 -4.707 -10.101 0.322 1.00 0.00 H new ATOM 0 HA MET A 49 -3.093 -7.715 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.754 -10.613 0.153 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.933 -10.003 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.489 -8.268 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.967 -9.913 1.374 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.690 -6.580 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.041 -6.972 0.958 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.744 -7.319 0.577 1.00 0.00 H new ATOM 728 N LEU A 50 -4.931 -8.492 -2.334 1.00 0.00 N ATOM 729 CA LEU A 50 -5.315 -8.289 -3.721 1.00 0.00 C ATOM 730 C LEU A 50 -4.789 -9.450 -4.567 1.00 0.00 C ATOM 731 O LEU A 50 -5.570 -10.219 -5.126 1.00 0.00 O ATOM 732 CB LEU A 50 -4.854 -6.914 -4.209 1.00 0.00 C ATOM 733 CG LEU A 50 -5.496 -5.708 -3.520 1.00 0.00 C ATOM 734 CD1 LEU A 50 -6.895 -5.440 -4.078 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.508 -5.886 -2.001 1.00 0.00 C ATOM 0 H LEU A 50 -5.706 -8.690 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.401 -8.289 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.774 -6.848 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.053 -6.845 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.890 -4.828 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.330 -4.578 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.828 -5.237 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.526 -6.314 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.970 -5.015 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.078 -6.779 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.485 -5.991 -1.639 1.00 0.00 H new ATOM 747 N GLY A 51 -3.469 -9.542 -4.633 1.00 0.00 N ATOM 748 CA GLY A 51 -2.830 -10.596 -5.401 1.00 0.00 C ATOM 749 C GLY A 51 -1.318 -10.375 -5.485 1.00 0.00 C ATOM 750 O GLY A 51 -0.544 -11.330 -5.450 1.00 0.00 O ATOM 0 H GLY A 51 -2.825 -8.903 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.035 -11.562 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.253 -10.626 -6.405 1.00 0.00 H new ATOM 754 N LEU A 52 -0.943 -9.108 -5.594 1.00 0.00 N ATOM 755 CA LEU A 52 0.462 -8.749 -5.683 1.00 0.00 C ATOM 756 C LEU A 52 0.973 -8.359 -4.294 1.00 0.00 C ATOM 757 O LEU A 52 0.183 -8.072 -3.396 1.00 0.00 O ATOM 758 CB LEU A 52 0.672 -7.665 -6.742 1.00 0.00 C ATOM 759 CG LEU A 52 0.665 -6.221 -6.234 1.00 0.00 C ATOM 760 CD1 LEU A 52 -0.631 -5.910 -5.483 1.00 0.00 C ATOM 761 CD2 LEU A 52 1.904 -5.934 -5.384 1.00 0.00 C ATOM 0 H LEU A 52 -1.588 -8.318 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 52 1.053 -9.603 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.624 -7.850 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.107 -7.767 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 52 0.704 -5.555 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.610 -4.878 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.481 -6.049 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.727 -6.581 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.875 -4.902 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.920 -6.606 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.801 -6.089 -5.984 1.00 0.00 H new ATOM 773 N LYS A 53 2.291 -8.363 -4.161 1.00 0.00 N ATOM 774 CA LYS A 53 2.917 -8.013 -2.897 1.00 0.00 C ATOM 775 C LYS A 53 3.585 -6.643 -3.026 1.00 0.00 C ATOM 776 O LYS A 53 4.418 -6.435 -3.907 1.00 0.00 O ATOM 777 CB LYS A 53 3.869 -9.122 -2.446 1.00 0.00 C ATOM 778 CG LYS A 53 3.744 -9.373 -0.942 1.00 0.00 C ATOM 779 CD LYS A 53 5.109 -9.285 -0.256 1.00 0.00 C ATOM 780 CE LYS A 53 5.013 -8.512 1.060 1.00 0.00 C ATOM 781 NZ LYS A 53 4.949 -9.446 2.207 1.00 0.00 N ATOM 0 H LYS A 53 2.943 -8.603 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 53 2.167 -7.929 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.648 -10.040 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.895 -8.846 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.065 -8.642 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.309 -10.357 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.489 -10.289 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.822 -8.794 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.876 -7.855 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.128 -7.876 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.884 -8.904 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.112 -10.056 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.806 -10.035 2.223 1.00 0.00 H new ATOM 795 N VAL A 54 3.196 -5.744 -2.134 1.00 0.00 N ATOM 796 CA VAL A 54 3.748 -4.400 -2.137 1.00 0.00 C ATOM 797 C VAL A 54 4.725 -4.252 -0.968 1.00 0.00 C ATOM 798 O VAL A 54 4.439 -4.693 0.144 1.00 0.00 O ATOM 799 CB VAL A 54 2.617 -3.370 -2.104 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.168 -1.956 -1.909 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.762 -3.455 -3.370 1.00 0.00 C ATOM 0 H VAL A 54 2.505 -5.920 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 54 4.308 -4.219 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 54 1.978 -3.601 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.343 -1.244 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.714 -1.905 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.840 -1.711 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.965 -2.713 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.385 -3.262 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.326 -4.451 -3.448 1.00 0.00 H new ATOM 811 N VAL A 55 5.857 -3.629 -1.261 1.00 0.00 N ATOM 812 CA VAL A 55 6.878 -3.417 -0.249 1.00 0.00 C ATOM 813 C VAL A 55 7.173 -1.921 -0.134 1.00 0.00 C ATOM 814 O VAL A 55 7.711 -1.317 -1.061 1.00 0.00 O ATOM 815 CB VAL A 55 8.120 -4.248 -0.577 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.381 -3.599 -0.001 1.00 0.00 C ATOM 817 CG2 VAL A 55 7.966 -5.686 -0.077 1.00 0.00 C ATOM 0 H VAL A 55 6.090 -3.264 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 55 6.526 -3.754 0.726 1.00 0.00 H new ATOM 0 HB VAL A 55 8.225 -4.280 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.250 -4.209 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.504 -2.603 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.288 -3.522 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.863 -6.255 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.824 -5.682 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.102 -6.147 -0.555 1.00 0.00 H new ATOM 827 N GLY A 56 6.808 -1.365 1.012 1.00 0.00 N ATOM 828 CA GLY A 56 7.027 0.050 1.261 1.00 0.00 C ATOM 829 C GLY A 56 8.203 0.264 2.215 1.00 0.00 C ATOM 830 O GLY A 56 8.873 -0.692 2.605 1.00 0.00 O ATOM 0 H GLY A 56 6.362 -1.869 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.221 0.563 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.125 0.492 1.685 1.00 0.00 H new ATOM 834 N GLY A 57 8.419 1.523 2.565 1.00 0.00 N ATOM 835 CA GLY A 57 9.504 1.875 3.466 1.00 0.00 C ATOM 836 C GLY A 57 10.864 1.590 2.825 1.00 0.00 C ATOM 837 O GLY A 57 11.896 1.671 3.489 1.00 0.00 O ATOM 0 H GLY A 57 7.861 2.313 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.436 2.931 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.409 1.310 4.393 1.00 0.00 H new ATOM 841 N LYS A 58 10.820 1.264 1.542 1.00 0.00 N ATOM 842 CA LYS A 58 12.036 0.968 0.804 1.00 0.00 C ATOM 843 C LYS A 58 12.857 2.250 0.645 1.00 0.00 C ATOM 844 O LYS A 58 12.364 3.245 0.117 1.00 0.00 O ATOM 845 CB LYS A 58 11.704 0.282 -0.523 1.00 0.00 C ATOM 846 CG LYS A 58 12.900 -0.521 -1.040 1.00 0.00 C ATOM 847 CD LYS A 58 13.233 -0.140 -2.484 1.00 0.00 C ATOM 848 CE LYS A 58 12.744 -1.213 -3.460 1.00 0.00 C ATOM 849 NZ LYS A 58 13.878 -2.039 -3.931 1.00 0.00 N ATOM 0 H LYS A 58 9.962 1.198 0.995 1.00 0.00 H new ATOM 0 HA LYS A 58 12.654 0.260 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.848 -0.379 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.417 1.031 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.766 -0.341 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.679 -1.587 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.770 0.816 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.310 -0.010 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.003 -1.846 -2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.251 -0.742 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.530 -2.762 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.572 -1.433 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.331 -2.503 -3.118 1.00 0.00 H new ATOM 863 N MET A 59 14.095 2.183 1.112 1.00 0.00 N ATOM 864 CA MET A 59 14.988 3.326 1.029 1.00 0.00 C ATOM 865 C MET A 59 15.613 3.433 -0.363 1.00 0.00 C ATOM 866 O MET A 59 16.451 2.614 -0.736 1.00 0.00 O ATOM 867 CB MET A 59 16.095 3.187 2.076 1.00 0.00 C ATOM 868 CG MET A 59 16.420 4.539 2.713 1.00 0.00 C ATOM 869 SD MET A 59 15.258 4.894 4.021 1.00 0.00 S ATOM 870 CE MET A 59 14.910 6.609 3.669 1.00 0.00 C ATOM 0 H MET A 59 14.501 1.355 1.549 1.00 0.00 H new ATOM 0 HA MET A 59 14.409 4.230 1.218 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.784 2.483 2.848 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.991 2.775 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.435 4.528 3.110 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.381 5.324 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.195 6.992 4.397 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.832 7.187 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.489 6.697 2.667 1.00 0.00 H new ATOM 880 N THR A 60 15.181 4.451 -1.094 1.00 0.00 N ATOM 881 CA THR A 60 15.687 4.675 -2.437 1.00 0.00 C ATOM 882 C THR A 60 17.137 5.163 -2.386 1.00 0.00 C ATOM 883 O THR A 60 17.794 5.060 -1.351 1.00 0.00 O ATOM 884 CB THR A 60 14.743 5.651 -3.142 1.00 0.00 C ATOM 885 OG1 THR A 60 14.657 6.758 -2.248 1.00 0.00 O ATOM 886 CG2 THR A 60 13.309 5.124 -3.221 1.00 0.00 C ATOM 0 H THR A 60 14.486 5.129 -0.781 1.00 0.00 H new ATOM 0 HA THR A 60 15.708 3.749 -3.011 1.00 0.00 H new ATOM 0 HB THR A 60 15.112 5.851 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.911 6.620 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.680 5.855 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.296 4.185 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.927 4.956 -2.214 1.00 0.00 H new ATOM 894 N GLU A 61 17.593 5.683 -3.516 1.00 0.00 N ATOM 895 CA GLU A 61 18.952 6.187 -3.613 1.00 0.00 C ATOM 896 C GLU A 61 18.985 7.688 -3.316 1.00 0.00 C ATOM 897 O GLU A 61 20.041 8.314 -3.381 1.00 0.00 O ATOM 898 CB GLU A 61 19.551 5.887 -4.988 1.00 0.00 C ATOM 899 CG GLU A 61 18.556 6.216 -6.103 1.00 0.00 C ATOM 900 CD GLU A 61 19.280 6.731 -7.349 1.00 0.00 C ATOM 901 OE1 GLU A 61 20.004 5.917 -7.962 1.00 0.00 O ATOM 902 OE2 GLU A 61 19.092 7.927 -7.661 1.00 0.00 O ATOM 0 H GLU A 61 17.045 5.766 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 61 19.562 5.676 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.463 6.468 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.832 4.835 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.979 5.326 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.847 6.967 -5.753 1.00 0.00 H new ATOM 909 N SER A 62 17.815 8.221 -2.996 1.00 0.00 N ATOM 910 CA SER A 62 17.696 9.636 -2.689 1.00 0.00 C ATOM 911 C SER A 62 17.403 9.825 -1.199 1.00 0.00 C ATOM 912 O SER A 62 17.175 10.945 -0.745 1.00 0.00 O ATOM 913 CB SER A 62 16.601 10.293 -3.532 1.00 0.00 C ATOM 914 OG SER A 62 17.050 11.500 -4.142 1.00 0.00 O ATOM 0 H SER A 62 16.941 7.698 -2.943 1.00 0.00 H new ATOM 0 HA SER A 62 18.643 10.119 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.271 9.598 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.737 10.504 -2.903 1.00 0.00 H new ATOM 0 HG SER A 62 16.323 11.888 -4.673 1.00 0.00 H new ATOM 920 N GLY A 63 17.420 8.713 -0.479 1.00 0.00 N ATOM 921 CA GLY A 63 17.160 8.742 0.950 1.00 0.00 C ATOM 922 C GLY A 63 15.660 8.857 1.232 1.00 0.00 C ATOM 923 O GLY A 63 15.255 9.103 2.367 1.00 0.00 O ATOM 0 H GLY A 63 17.610 7.786 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.552 7.837 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.684 9.584 1.402 1.00 0.00 H new ATOM 927 N ARG A 64 14.877 8.673 0.179 1.00 0.00 N ATOM 928 CA ARG A 64 13.431 8.753 0.299 1.00 0.00 C ATOM 929 C ARG A 64 12.822 7.350 0.319 1.00 0.00 C ATOM 930 O ARG A 64 13.510 6.367 0.051 1.00 0.00 O ATOM 931 CB ARG A 64 12.826 9.548 -0.860 1.00 0.00 C ATOM 932 CG ARG A 64 12.385 10.939 -0.400 1.00 0.00 C ATOM 933 CD ARG A 64 10.953 10.910 0.139 1.00 0.00 C ATOM 934 NE ARG A 64 10.141 11.953 -0.526 1.00 0.00 N ATOM 935 CZ ARG A 64 8.807 12.041 -0.430 1.00 0.00 C ATOM 936 NH1 ARG A 64 8.128 11.151 0.305 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.153 13.021 -1.068 1.00 0.00 N ATOM 0 H ARG A 64 15.216 8.469 -0.761 1.00 0.00 H new ATOM 0 HA ARG A 64 13.203 9.265 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.558 9.642 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.972 9.008 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.061 11.301 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.450 11.639 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.511 9.929 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.958 11.073 1.217 1.00 0.00 H new ATOM 0 HE ARG A 64 10.627 12.648 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.626 10.406 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.113 11.218 0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.670 13.700 -1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.138 13.088 -0.995 1.00 0.00 H new ATOM 951 N LEU A 65 11.537 7.302 0.640 1.00 0.00 N ATOM 952 CA LEU A 65 10.828 6.035 0.699 1.00 0.00 C ATOM 953 C LEU A 65 9.769 5.997 -0.406 1.00 0.00 C ATOM 954 O LEU A 65 9.176 7.022 -0.738 1.00 0.00 O ATOM 955 CB LEU A 65 10.262 5.803 2.101 1.00 0.00 C ATOM 956 CG LEU A 65 11.270 5.864 3.250 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.559 5.874 4.604 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.288 4.726 3.146 1.00 0.00 C ATOM 0 H LEU A 65 10.969 8.120 0.862 1.00 0.00 H new ATOM 0 HA LEU A 65 11.512 5.206 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.486 6.546 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.779 4.826 2.119 1.00 0.00 H new ATOM 0 HG LEU A 65 11.823 6.800 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.299 5.918 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.906 6.745 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.964 4.967 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.993 4.792 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.769 3.768 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.828 4.806 2.203 1.00 0.00 H new ATOM 970 N CYS A 66 9.565 4.804 -0.944 1.00 0.00 N ATOM 971 CA CYS A 66 8.589 4.618 -2.004 1.00 0.00 C ATOM 972 C CYS A 66 8.175 3.146 -2.024 1.00 0.00 C ATOM 973 O CYS A 66 8.992 2.264 -1.763 1.00 0.00 O ATOM 974 CB CYS A 66 9.132 5.077 -3.360 1.00 0.00 C ATOM 975 SG CYS A 66 8.616 6.802 -3.689 1.00 0.00 S ATOM 0 H CYS A 66 10.059 3.956 -0.666 1.00 0.00 H new ATOM 0 HA CYS A 66 7.714 5.237 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.220 5.006 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.764 4.422 -4.149 1.00 0.00 H new ATOM 0 HG CYS A 66 8.667 7.488 -2.586 1.00 0.00 H new ATOM 981 N ALA A 67 6.907 2.925 -2.337 1.00 0.00 N ATOM 982 CA ALA A 67 6.375 1.574 -2.394 1.00 0.00 C ATOM 983 C ALA A 67 6.468 1.054 -3.830 1.00 0.00 C ATOM 984 O ALA A 67 5.986 1.699 -4.760 1.00 0.00 O ATOM 985 CB ALA A 67 4.939 1.567 -1.864 1.00 0.00 C ATOM 0 H ALA A 67 6.232 3.659 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 67 6.959 0.905 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.540 0.553 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.930 1.917 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.322 2.226 -2.475 1.00 0.00 H new ATOM 991 N PHE A 68 7.091 -0.108 -3.965 1.00 0.00 N ATOM 992 CA PHE A 68 7.253 -0.722 -5.272 1.00 0.00 C ATOM 993 C PHE A 68 6.722 -2.156 -5.274 1.00 0.00 C ATOM 994 O PHE A 68 6.832 -2.864 -4.274 1.00 0.00 O ATOM 995 CB PHE A 68 8.754 -0.745 -5.572 1.00 0.00 C ATOM 996 CG PHE A 68 9.443 0.611 -5.408 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.301 1.565 -6.367 1.00 0.00 C ATOM 998 CD2 PHE A 68 10.196 0.863 -4.305 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.941 2.824 -6.216 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.836 2.121 -4.153 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.694 3.075 -5.112 1.00 0.00 C ATOM 0 H PHE A 68 7.489 -0.640 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 68 6.697 -0.157 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.235 -1.467 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.905 -1.096 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.702 1.365 -7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.308 0.105 -3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.830 3.582 -6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.435 2.320 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.180 4.033 -4.997 1.00 0.00 H new ATOM 1011 N ILE A 69 6.158 -2.543 -6.409 1.00 0.00 N ATOM 1012 CA ILE A 69 5.609 -3.881 -6.554 1.00 0.00 C ATOM 1013 C ILE A 69 6.755 -4.892 -6.623 1.00 0.00 C ATOM 1014 O ILE A 69 7.679 -4.736 -7.420 1.00 0.00 O ATOM 1015 CB ILE A 69 4.660 -3.943 -7.752 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.449 -3.033 -7.540 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.247 -5.386 -8.049 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.620 -2.916 -8.821 1.00 0.00 C ATOM 0 H ILE A 69 6.069 -1.954 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 69 5.005 -4.142 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 69 5.191 -3.572 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.829 -3.429 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.783 -2.044 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.572 -5.403 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.133 -5.979 -8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.741 -5.806 -7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.765 -2.264 -8.643 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.237 -2.497 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.267 -3.904 -9.117 1.00 0.00 H new ATOM 1030 N THR A 70 6.658 -5.908 -5.778 1.00 0.00 N ATOM 1031 CA THR A 70 7.674 -6.945 -5.734 1.00 0.00 C ATOM 1032 C THR A 70 7.288 -8.110 -6.647 1.00 0.00 C ATOM 1033 O THR A 70 8.063 -8.506 -7.516 1.00 0.00 O ATOM 1034 CB THR A 70 7.867 -7.356 -4.273 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.617 -7.936 -3.908 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.006 -6.152 -3.339 1.00 0.00 C ATOM 0 H THR A 70 5.891 -6.035 -5.118 1.00 0.00 H new ATOM 0 HA THR A 70 8.628 -6.579 -6.113 1.00 0.00 H new ATOM 0 HB THR A 70 8.753 -7.986 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.997 -7.229 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.141 -6.500 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.870 -5.558 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.106 -5.539 -3.399 1.00 0.00 H new ATOM 1044 N LYS A 71 6.090 -8.627 -6.419 1.00 0.00 N ATOM 1045 CA LYS A 71 5.591 -9.739 -7.210 1.00 0.00 C ATOM 1046 C LYS A 71 4.080 -9.589 -7.397 1.00 0.00 C ATOM 1047 O LYS A 71 3.412 -8.942 -6.591 1.00 0.00 O ATOM 1048 CB LYS A 71 6.004 -11.071 -6.582 1.00 0.00 C ATOM 1049 CG LYS A 71 5.717 -12.237 -7.531 1.00 0.00 C ATOM 1050 CD LYS A 71 6.796 -13.316 -7.416 1.00 0.00 C ATOM 1051 CE LYS A 71 6.772 -14.246 -8.631 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.140 -14.437 -9.164 1.00 0.00 N ATOM 0 H LYS A 71 5.450 -8.296 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 71 6.038 -9.730 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.066 -11.049 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.465 -11.218 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.742 -12.667 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.670 -11.872 -8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.777 -12.847 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.640 -13.896 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.347 -15.210 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.129 -13.827 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.106 -15.071 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.533 -13.517 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.743 -14.857 -8.429 1.00 0.00 H new ATOM 1066 N VAL A 72 3.585 -10.197 -8.465 1.00 0.00 N ATOM 1067 CA VAL A 72 2.165 -10.139 -8.768 1.00 0.00 C ATOM 1068 C VAL A 72 1.643 -11.556 -9.020 1.00 0.00 C ATOM 1069 O VAL A 72 2.112 -12.241 -9.927 1.00 0.00 O ATOM 1070 CB VAL A 72 1.919 -9.194 -9.945 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.429 -9.117 -10.285 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.488 -7.803 -9.659 1.00 0.00 C ATOM 0 H VAL A 72 4.142 -10.732 -9.131 1.00 0.00 H new ATOM 0 HA VAL A 72 1.611 -9.734 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 72 2.440 -9.598 -10.813 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.282 -8.438 -11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.065 -10.109 -10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.123 -8.749 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.300 -7.151 -10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.008 -7.389 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.562 -7.877 -9.489 1.00 0.00 H new ATOM 1082 N LYS A 73 0.681 -11.952 -8.200 1.00 0.00 N ATOM 1083 CA LYS A 73 0.091 -13.274 -8.323 1.00 0.00 C ATOM 1084 C LYS A 73 -0.550 -13.416 -9.705 1.00 0.00 C ATOM 1085 O LYS A 73 -1.289 -12.536 -10.144 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.876 -13.539 -7.167 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.420 -14.968 -7.223 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.393 -15.966 -6.685 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.481 -17.299 -7.430 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.287 -18.344 -6.717 1.00 0.00 N ATOM 0 H LYS A 73 0.295 -11.381 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 73 0.860 -14.042 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.366 -13.377 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.702 -12.830 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.338 -15.035 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.677 -15.223 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.610 -15.553 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.562 -16.129 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.524 -17.604 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.094 -17.183 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.216 -19.242 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.285 -18.059 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.100 -18.467 -5.759 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.242 -14.530 -10.353 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.779 -14.799 -11.676 1.00 0.00 C ATOM 1106 C LYS A 74 -2.202 -15.343 -11.544 1.00 0.00 C ATOM 1107 O LYS A 74 -2.396 -16.503 -11.182 1.00 0.00 O ATOM 1108 CB LYS A 74 0.161 -15.718 -12.459 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.547 -16.321 -13.674 1.00 0.00 C ATOM 1110 CD LYS A 74 0.274 -16.109 -14.948 1.00 0.00 C ATOM 1111 CE LYS A 74 0.259 -17.363 -15.824 1.00 0.00 C ATOM 1112 NZ LYS A 74 1.639 -17.833 -16.080 1.00 0.00 N ATOM 0 H LYS A 74 0.373 -15.257 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.843 -13.878 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.036 -15.156 -12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.519 -16.516 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.708 -17.387 -13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.530 -15.864 -13.790 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.128 -15.265 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.301 -15.857 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.314 -18.150 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.239 -17.148 -16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.611 -18.685 -16.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.175 -17.087 -16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.102 -18.058 -15.176 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.162 -14.480 -11.845 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.562 -14.860 -11.764 1.00 0.00 C ATOM 1128 C GLY A 75 -5.217 -14.276 -10.511 1.00 0.00 C ATOM 1129 O GLY A 75 -6.022 -14.940 -9.860 1.00 0.00 O ATOM 0 H GLY A 75 -2.997 -13.519 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.089 -14.510 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.647 -15.947 -11.751 1.00 0.00 H new ATOM 1133 N SER A 76 -4.848 -13.039 -10.210 1.00 0.00 N ATOM 1134 CA SER A 76 -5.390 -12.358 -9.047 1.00 0.00 C ATOM 1135 C SER A 76 -5.877 -10.962 -9.438 1.00 0.00 C ATOM 1136 O SER A 76 -5.581 -10.480 -10.530 1.00 0.00 O ATOM 1137 CB SER A 76 -4.349 -12.264 -7.930 1.00 0.00 C ATOM 1138 OG SER A 76 -4.946 -11.994 -6.665 1.00 0.00 O ATOM 0 H SER A 76 -4.180 -12.491 -10.752 1.00 0.00 H new ATOM 0 HA SER A 76 -6.234 -12.938 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.791 -13.199 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.632 -11.478 -8.168 1.00 0.00 H new ATOM 0 HG SER A 76 -5.070 -11.027 -6.562 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.617 -10.351 -8.524 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.149 -9.019 -8.760 1.00 0.00 C ATOM 1146 C LEU A 77 -6.084 -8.165 -9.451 1.00 0.00 C ATOM 1147 O LEU A 77 -6.252 -7.771 -10.604 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.673 -8.413 -7.456 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.055 -8.888 -7.004 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.096 -8.673 -8.104 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.008 -10.344 -6.535 1.00 0.00 C ATOM 0 H LEU A 77 -6.861 -10.754 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.007 -9.064 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.958 -8.633 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.702 -7.329 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.361 -8.284 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.069 -9.019 -7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.154 -7.612 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.807 -9.234 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.003 -10.657 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.671 -10.979 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.316 -10.434 -5.697 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.012 -7.904 -8.718 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.921 -7.104 -9.246 1.00 0.00 C ATOM 1165 C ALA A 78 -3.166 -7.913 -10.303 1.00 0.00 C ATOM 1166 O ALA A 78 -1.982 -8.203 -10.140 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.014 -6.656 -8.098 1.00 0.00 C ATOM 0 H ALA A 78 -4.876 -8.233 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.304 -6.205 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.195 -6.056 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.591 -6.061 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.609 -7.532 -7.591 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.883 -8.253 -11.364 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.296 -9.022 -12.448 1.00 0.00 C ATOM 1175 C ASP A 79 -4.370 -9.317 -13.498 1.00 0.00 C ATOM 1176 O ASP A 79 -4.149 -9.113 -14.691 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.750 -10.359 -11.942 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.657 -10.982 -12.813 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -1.809 -10.912 -14.051 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.694 -11.515 -12.220 1.00 0.00 O ATOM 0 H ASP A 79 -4.865 -8.010 -11.496 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.481 -8.437 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.355 -10.216 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.577 -11.065 -11.862 1.00 0.00 H new ATOM 1185 N THR A 80 -5.508 -9.793 -13.016 1.00 0.00 N ATOM 1186 CA THR A 80 -6.616 -10.118 -13.898 1.00 0.00 C ATOM 1187 C THR A 80 -7.415 -8.858 -14.238 1.00 0.00 C ATOM 1188 O THR A 80 -7.925 -8.723 -15.349 1.00 0.00 O ATOM 1189 CB THR A 80 -7.455 -11.205 -13.222 1.00 0.00 C ATOM 1190 OG1 THR A 80 -8.013 -10.555 -12.083 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.597 -12.324 -12.630 1.00 0.00 C ATOM 0 H THR A 80 -5.687 -9.962 -12.026 1.00 0.00 H new ATOM 0 HA THR A 80 -6.261 -10.507 -14.852 1.00 0.00 H new ATOM 0 HB THR A 80 -8.152 -11.627 -13.946 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.355 -10.545 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.242 -13.068 -12.163 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.015 -12.794 -13.423 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.922 -11.908 -11.882 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.497 -7.967 -13.261 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.225 -6.722 -13.443 1.00 0.00 C ATOM 1201 C VAL A 81 -7.237 -5.554 -13.434 1.00 0.00 C ATOM 1202 O VAL A 81 -7.362 -4.625 -14.231 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.315 -6.592 -12.378 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.488 -7.527 -12.677 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.749 -6.852 -10.980 1.00 0.00 C ATOM 0 H VAL A 81 -7.072 -8.082 -12.341 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.731 -6.713 -14.408 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.688 -5.568 -12.404 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.249 -7.415 -11.905 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.916 -7.275 -13.647 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.136 -8.559 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.544 -6.753 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.336 -7.860 -10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.963 -6.128 -10.765 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.279 -5.638 -12.523 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.270 -4.599 -12.400 1.00 0.00 C ATOM 1217 C GLY A 82 -4.159 -4.787 -13.434 1.00 0.00 C ATOM 1218 O GLY A 82 -3.627 -3.813 -13.964 1.00 0.00 O ATOM 0 H GLY A 82 -6.180 -6.409 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.732 -3.621 -12.532 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.845 -4.618 -11.397 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.840 -6.048 -13.690 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.801 -6.377 -14.651 1.00 0.00 C ATOM 1224 C HIS A 83 -1.469 -5.782 -14.191 1.00 0.00 C ATOM 1225 O HIS A 83 -0.521 -5.696 -14.970 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.199 -5.924 -16.057 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.561 -6.407 -16.496 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.791 -7.699 -16.937 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.760 -5.760 -16.556 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -6.074 -7.812 -17.247 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.673 -6.610 -17.011 1.00 0.00 N ATOM 0 H HIS A 83 -4.283 -6.854 -13.248 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.677 -7.459 -14.702 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.182 -4.835 -16.095 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.452 -6.280 -16.767 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.937 -4.731 -16.280 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.560 -8.701 -17.621 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.660 -6.399 -17.160 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.440 -5.386 -12.927 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.239 -4.801 -12.353 1.00 0.00 C ATOM 1241 C LEU A 84 0.960 -5.698 -12.668 1.00 0.00 C ATOM 1242 O LEU A 84 0.795 -6.804 -13.180 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.434 -4.536 -10.859 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.478 -3.478 -10.496 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.089 -3.760 -9.122 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.884 -2.070 -10.581 1.00 0.00 C ATOM 0 H LEU A 84 -2.228 -5.459 -12.284 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.036 -3.828 -12.801 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.713 -5.473 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.524 -4.233 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.286 -3.531 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.828 -2.993 -8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.571 -4.738 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.304 -3.750 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.647 -1.337 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.046 -1.986 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.535 -1.883 -11.597 1.00 0.00 H new ATOM 1258 N ARG A 85 2.140 -5.187 -12.348 1.00 0.00 N ATOM 1259 CA ARG A 85 3.366 -5.928 -12.590 1.00 0.00 C ATOM 1260 C ARG A 85 4.428 -5.549 -11.555 1.00 0.00 C ATOM 1261 O ARG A 85 4.389 -4.456 -10.992 1.00 0.00 O ATOM 1262 CB ARG A 85 3.909 -5.651 -13.993 1.00 0.00 C ATOM 1263 CG ARG A 85 3.268 -6.583 -15.023 1.00 0.00 C ATOM 1264 CD ARG A 85 2.690 -5.790 -16.196 1.00 0.00 C ATOM 1265 NE ARG A 85 2.824 -6.567 -17.448 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.310 -6.189 -18.626 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.624 -5.042 -18.720 1.00 0.00 N ATOM 1268 NH2 ARG A 85 2.482 -6.957 -19.710 1.00 0.00 N ATOM 0 H ARG A 85 2.273 -4.269 -11.923 1.00 0.00 H new ATOM 0 HA ARG A 85 3.134 -6.990 -12.506 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.713 -4.614 -14.264 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.991 -5.784 -14.001 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.011 -7.291 -15.389 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.478 -7.166 -14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.640 -5.563 -16.010 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.210 -4.837 -16.293 1.00 0.00 H new ATOM 0 HE ARG A 85 3.340 -7.446 -17.412 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.493 -4.457 -17.895 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.233 -4.754 -19.617 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.005 -7.830 -19.639 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.090 -6.669 -20.607 1.00 0.00 H new ATOM 1282 N PRO A 86 5.377 -6.497 -11.332 1.00 0.00 N ATOM 1283 CA PRO A 86 6.448 -6.273 -10.375 1.00 0.00 C ATOM 1284 C PRO A 86 7.494 -5.310 -10.939 1.00 0.00 C ATOM 1285 O PRO A 86 8.197 -5.641 -11.892 1.00 0.00 O ATOM 1286 CB PRO A 86 7.009 -7.655 -10.083 1.00 0.00 C ATOM 1287 CG PRO A 86 6.548 -8.543 -11.227 1.00 0.00 C ATOM 1288 CD PRO A 86 5.455 -7.802 -11.981 1.00 0.00 C ATOM 0 HA PRO A 86 6.101 -5.797 -9.458 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.097 -7.630 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.645 -8.030 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.381 -8.773 -11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.172 -9.493 -10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.700 -7.704 -13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.504 -8.331 -11.922 1.00 0.00 H new ATOM 1296 N GLY A 87 7.564 -4.138 -10.326 1.00 0.00 N ATOM 1297 CA GLY A 87 8.513 -3.124 -10.755 1.00 0.00 C ATOM 1298 C GLY A 87 7.863 -1.739 -10.777 1.00 0.00 C ATOM 1299 O GLY A 87 8.549 -0.730 -10.931 1.00 0.00 O ATOM 0 H GLY A 87 6.979 -3.867 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.371 -3.116 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.888 -3.369 -11.748 1.00 0.00 H new ATOM 1303 N ASP A 88 6.547 -1.736 -10.621 1.00 0.00 N ATOM 1304 CA ASP A 88 5.797 -0.491 -10.621 1.00 0.00 C ATOM 1305 C ASP A 88 5.952 0.193 -9.262 1.00 0.00 C ATOM 1306 O ASP A 88 6.660 -0.306 -8.388 1.00 0.00 O ATOM 1307 CB ASP A 88 4.306 -0.747 -10.854 1.00 0.00 C ATOM 1308 CG ASP A 88 3.799 -0.383 -12.251 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.597 0.209 -13.008 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.624 -0.706 -12.529 1.00 0.00 O ATOM 0 H ASP A 88 5.981 -2.575 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 88 6.185 0.137 -11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.101 -1.802 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.736 -0.181 -10.118 1.00 0.00 H new ATOM 1315 N GLU A 89 5.280 1.327 -9.125 1.00 0.00 N ATOM 1316 CA GLU A 89 5.334 2.085 -7.887 1.00 0.00 C ATOM 1317 C GLU A 89 3.937 2.574 -7.502 1.00 0.00 C ATOM 1318 O GLU A 89 3.354 3.407 -8.195 1.00 0.00 O ATOM 1319 CB GLU A 89 6.312 3.256 -8.003 1.00 0.00 C ATOM 1320 CG GLU A 89 6.433 4.004 -6.674 1.00 0.00 C ATOM 1321 CD GLU A 89 7.207 5.312 -6.849 1.00 0.00 C ATOM 1322 OE1 GLU A 89 8.351 5.232 -7.349 1.00 0.00 O ATOM 1323 OE2 GLU A 89 6.639 6.362 -6.480 1.00 0.00 O ATOM 0 H GLU A 89 4.695 1.739 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 89 5.698 1.427 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.292 2.887 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.974 3.941 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.439 4.216 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.938 3.373 -5.942 1.00 0.00 H new ATOM 1330 N VAL A 90 3.439 2.036 -6.398 1.00 0.00 N ATOM 1331 CA VAL A 90 2.121 2.408 -5.913 1.00 0.00 C ATOM 1332 C VAL A 90 2.203 3.767 -5.215 1.00 0.00 C ATOM 1333 O VAL A 90 2.622 3.853 -4.062 1.00 0.00 O ATOM 1334 CB VAL A 90 1.566 1.305 -5.009 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.095 1.558 -4.675 1.00 0.00 C ATOM 1336 CG2 VAL A 90 1.755 -0.073 -5.646 1.00 0.00 C ATOM 0 H VAL A 90 3.925 1.345 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 90 1.424 2.511 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 90 2.129 1.322 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.275 0.760 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.002 2.514 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.488 1.581 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.352 -0.839 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.231 -0.107 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.817 -0.256 -5.808 1.00 0.00 H new ATOM 1346 N LEU A 91 1.797 4.796 -5.945 1.00 0.00 N ATOM 1347 CA LEU A 91 1.819 6.147 -5.411 1.00 0.00 C ATOM 1348 C LEU A 91 0.833 6.247 -4.245 1.00 0.00 C ATOM 1349 O LEU A 91 1.222 6.569 -3.124 1.00 0.00 O ATOM 1350 CB LEU A 91 1.563 7.167 -6.522 1.00 0.00 C ATOM 1351 CG LEU A 91 2.744 7.457 -7.451 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.622 8.576 -6.889 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.546 6.185 -7.733 1.00 0.00 C ATOM 0 H LEU A 91 1.451 4.721 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 91 2.807 6.383 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.728 6.814 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.249 8.104 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 91 2.350 7.806 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.454 8.762 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.030 9.485 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.009 8.280 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.379 6.420 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.930 5.782 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.901 5.446 -8.209 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.425 5.964 -4.551 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.470 6.018 -3.543 1.00 0.00 C ATOM 1367 C GLU A 92 -2.139 4.649 -3.398 1.00 0.00 C ATOM 1368 O GLU A 92 -1.937 3.765 -4.229 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.500 7.099 -3.877 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.870 8.492 -3.823 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.664 9.486 -4.673 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.870 9.642 -4.386 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -2.046 10.068 -5.591 1.00 0.00 O ATOM 0 H GLU A 92 -0.744 5.697 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.013 6.281 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.911 6.920 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.331 7.044 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.834 8.839 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.841 8.444 -4.179 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.920 4.518 -2.336 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.620 3.272 -2.072 1.00 0.00 C ATOM 1382 C TRP A 93 -4.922 3.607 -1.342 1.00 0.00 C ATOM 1383 O TRP A 93 -4.907 3.941 -0.158 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.732 2.299 -1.294 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.410 0.969 -0.959 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.350 0.732 -0.035 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.160 -0.306 -1.589 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.723 -0.597 -0.022 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.977 -1.248 -0.997 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.274 -0.651 -2.624 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.988 -2.596 -1.372 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.297 -2.003 -2.987 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.113 -2.964 -2.401 1.00 0.00 C ATOM 0 H TRP A 93 -3.084 5.254 -1.648 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.864 2.762 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.832 2.100 -1.876 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.413 2.776 -0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.764 1.486 0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.418 -1.023 0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.627 0.070 -3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.637 -3.314 -0.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.634 -2.322 -3.778 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.072 -3.989 -2.738 1.00 0.00 H new ATOM 1404 N ASN A 94 -6.019 3.505 -2.078 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.327 3.793 -1.516 1.00 0.00 C ATOM 1406 C ASN A 94 -7.386 5.263 -1.098 1.00 0.00 C ATOM 1407 O ASN A 94 -8.269 5.662 -0.340 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.594 2.937 -0.276 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.139 1.562 -0.665 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -8.027 1.118 -1.797 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.732 0.913 0.332 1.00 0.00 N ATOM 0 H ASN A 94 -6.028 3.227 -3.059 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.077 3.571 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.672 2.819 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.307 3.444 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.127 -0.014 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.792 1.342 1.256 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.434 6.029 -1.610 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.366 7.447 -1.299 1.00 0.00 C ATOM 1420 C GLY A 95 -5.255 7.734 -0.287 1.00 0.00 C ATOM 1421 O GLY A 95 -5.102 8.866 0.168 1.00 0.00 O ATOM 0 H GLY A 95 -5.703 5.695 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.187 8.015 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.323 7.781 -0.898 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.508 6.688 0.036 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.415 6.813 0.986 1.00 0.00 C ATOM 1427 C ARG A 96 -2.074 6.852 0.250 1.00 0.00 C ATOM 1428 O ARG A 96 -1.662 5.859 -0.349 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.412 5.648 1.978 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.438 5.872 3.090 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.749 6.217 4.411 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.610 7.114 5.213 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.640 6.695 5.962 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.942 5.391 6.016 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -6.367 7.581 6.656 1.00 0.00 N ATOM 0 H ARG A 96 -4.638 5.750 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.558 7.743 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.636 4.719 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.418 5.538 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.115 6.678 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.045 4.975 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.540 5.305 4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.791 6.698 4.216 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.407 8.113 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.388 4.717 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.726 5.072 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.137 8.574 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.151 7.263 7.226 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.431 8.008 0.319 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.145 8.188 -0.333 1.00 0.00 C ATOM 1451 C LEU A 97 0.895 7.290 0.341 1.00 0.00 C ATOM 1452 O LEU A 97 0.995 7.262 1.566 1.00 0.00 O ATOM 1453 CB LEU A 97 0.242 9.669 -0.353 1.00 0.00 C ATOM 1454 CG LEU A 97 1.572 10.005 -1.032 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.343 10.781 -2.331 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.503 10.751 -0.074 1.00 0.00 C ATOM 0 H LEU A 97 -1.776 8.829 0.816 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.201 7.882 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.550 10.225 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.281 10.028 0.675 1.00 0.00 H new ATOM 0 HG LEU A 97 2.066 9.071 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.304 11.007 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.744 10.178 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.818 11.711 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.441 10.978 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.029 11.679 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.703 10.128 0.798 1.00 0.00 H new ATOM 1468 N LEU A 98 1.641 6.578 -0.490 1.00 0.00 N ATOM 1469 CA LEU A 98 2.669 5.680 0.010 1.00 0.00 C ATOM 1470 C LEU A 98 4.036 6.357 -0.115 1.00 0.00 C ATOM 1471 O LEU A 98 4.987 5.974 0.564 1.00 0.00 O ATOM 1472 CB LEU A 98 2.587 4.325 -0.695 1.00 0.00 C ATOM 1473 CG LEU A 98 1.201 3.680 -0.749 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.268 2.289 -1.382 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.557 3.648 0.638 1.00 0.00 C ATOM 0 H LEU A 98 1.555 6.604 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 98 2.511 5.472 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.949 4.446 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.267 3.636 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 98 0.563 4.293 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.269 1.853 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.656 2.370 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.927 1.652 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.427 3.185 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.185 3.071 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.454 4.666 1.015 1.00 0.00 H new ATOM 1487 N GLN A 99 4.090 7.353 -0.988 1.00 0.00 N ATOM 1488 CA GLN A 99 5.324 8.086 -1.211 1.00 0.00 C ATOM 1489 C GLN A 99 5.876 8.612 0.116 1.00 0.00 C ATOM 1490 O GLN A 99 5.324 9.547 0.695 1.00 0.00 O ATOM 1491 CB GLN A 99 5.111 9.228 -2.207 1.00 0.00 C ATOM 1492 CG GLN A 99 5.552 8.818 -3.613 1.00 0.00 C ATOM 1493 CD GLN A 99 5.593 10.027 -4.550 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.822 10.964 -4.429 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.533 9.953 -5.488 1.00 0.00 N ATOM 0 H GLN A 99 3.299 7.669 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 99 6.056 7.403 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.059 9.512 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.674 10.105 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.538 8.355 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.866 8.070 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.146 9.139 -5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.641 10.710 -6.163 1.00 0.00 H new ATOM 1504 N GLY A 100 6.957 7.989 0.559 1.00 0.00 N ATOM 1505 CA GLY A 100 7.590 8.383 1.807 1.00 0.00 C ATOM 1506 C GLY A 100 7.180 7.449 2.947 1.00 0.00 C ATOM 1507 O GLY A 100 8.001 7.102 3.795 1.00 0.00 O ATOM 0 H GLY A 100 7.411 7.214 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.674 8.367 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.311 9.408 2.053 1.00 0.00 H new ATOM 1511 N ALA A 101 5.911 7.068 2.931 1.00 0.00 N ATOM 1512 CA ALA A 101 5.383 6.181 3.954 1.00 0.00 C ATOM 1513 C ALA A 101 6.415 5.095 4.264 1.00 0.00 C ATOM 1514 O ALA A 101 7.138 4.649 3.374 1.00 0.00 O ATOM 1515 CB ALA A 101 4.048 5.599 3.485 1.00 0.00 C ATOM 0 H ALA A 101 5.233 7.357 2.226 1.00 0.00 H new ATOM 0 HA ALA A 101 5.194 6.729 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.652 4.934 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.341 6.409 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.199 5.039 2.562 1.00 0.00 H new ATOM 1521 N THR A 102 6.452 4.702 5.528 1.00 0.00 N ATOM 1522 CA THR A 102 7.383 3.677 5.967 1.00 0.00 C ATOM 1523 C THR A 102 6.872 2.289 5.575 1.00 0.00 C ATOM 1524 O THR A 102 5.791 2.160 5.003 1.00 0.00 O ATOM 1525 CB THR A 102 7.596 3.844 7.473 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.433 3.260 8.054 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.538 5.308 7.913 1.00 0.00 C ATOM 0 H THR A 102 5.852 5.075 6.263 1.00 0.00 H new ATOM 0 HA THR A 102 8.350 3.784 5.474 1.00 0.00 H new ATOM 0 HB THR A 102 8.560 3.419 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.488 3.323 9.030 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.695 5.371 8.990 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.316 5.873 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.562 5.724 7.664 1.00 0.00 H new ATOM 1535 N PHE A 103 7.674 1.285 5.900 1.00 0.00 N ATOM 1536 CA PHE A 103 7.316 -0.089 5.589 1.00 0.00 C ATOM 1537 C PHE A 103 6.039 -0.502 6.324 1.00 0.00 C ATOM 1538 O PHE A 103 5.183 -1.179 5.755 1.00 0.00 O ATOM 1539 CB PHE A 103 8.472 -0.970 6.065 1.00 0.00 C ATOM 1540 CG PHE A 103 8.202 -2.471 5.942 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.441 -3.111 4.766 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.722 -3.165 7.009 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.190 -4.504 4.652 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.471 -4.558 6.894 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.710 -5.198 5.719 1.00 0.00 C ATOM 0 H PHE A 103 8.570 1.396 6.375 1.00 0.00 H new ATOM 0 HA PHE A 103 7.138 -0.195 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.364 -0.723 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.690 -0.735 7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.822 -2.560 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.532 -2.657 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.380 -5.012 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.090 -5.109 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.519 -6.257 5.632 1.00 0.00 H new ATOM 1555 N GLU A 104 5.951 -0.078 7.576 1.00 0.00 N ATOM 1556 CA GLU A 104 4.794 -0.396 8.394 1.00 0.00 C ATOM 1557 C GLU A 104 3.572 0.389 7.913 1.00 0.00 C ATOM 1558 O GLU A 104 2.464 -0.143 7.873 1.00 0.00 O ATOM 1559 CB GLU A 104 5.075 -0.121 9.873 1.00 0.00 C ATOM 1560 CG GLU A 104 6.122 -1.092 10.421 1.00 0.00 C ATOM 1561 CD GLU A 104 5.543 -1.940 11.555 1.00 0.00 C ATOM 1562 OE1 GLU A 104 4.694 -2.803 11.242 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.962 -1.707 12.710 1.00 0.00 O ATOM 0 H GLU A 104 6.663 0.483 8.044 1.00 0.00 H new ATOM 0 HA GLU A 104 4.582 -1.460 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.425 0.904 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.152 -0.214 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.475 -1.742 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.986 -0.535 10.783 1.00 0.00 H new ATOM 1570 N GLU A 105 3.816 1.643 7.560 1.00 0.00 N ATOM 1571 CA GLU A 105 2.749 2.507 7.083 1.00 0.00 C ATOM 1572 C GLU A 105 2.067 1.884 5.863 1.00 0.00 C ATOM 1573 O GLU A 105 0.886 1.542 5.915 1.00 0.00 O ATOM 1574 CB GLU A 105 3.279 3.905 6.760 1.00 0.00 C ATOM 1575 CG GLU A 105 3.255 4.801 8.000 1.00 0.00 C ATOM 1576 CD GLU A 105 3.277 6.280 7.609 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.610 6.611 6.606 1.00 0.00 O ATOM 1578 OE2 GLU A 105 3.961 7.045 8.323 1.00 0.00 O ATOM 0 H GLU A 105 4.736 2.081 7.595 1.00 0.00 H new ATOM 0 HA GLU A 105 2.009 2.609 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.298 3.832 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.675 4.353 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.362 4.590 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.114 4.576 8.632 1.00 0.00 H new ATOM 1585 N VAL A 106 2.839 1.756 4.794 1.00 0.00 N ATOM 1586 CA VAL A 106 2.324 1.180 3.564 1.00 0.00 C ATOM 1587 C VAL A 106 1.507 -0.071 3.894 1.00 0.00 C ATOM 1588 O VAL A 106 0.395 -0.239 3.395 1.00 0.00 O ATOM 1589 CB VAL A 106 3.475 0.903 2.593 1.00 0.00 C ATOM 1590 CG1 VAL A 106 2.975 0.175 1.344 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.200 2.198 2.220 1.00 0.00 C ATOM 0 H VAL A 106 3.817 2.041 4.754 1.00 0.00 H new ATOM 0 HA VAL A 106 1.656 1.882 3.064 1.00 0.00 H new ATOM 0 HB VAL A 106 4.190 0.252 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.812 -0.010 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.525 -0.775 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.231 0.790 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.013 1.974 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.499 2.884 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.605 2.660 3.120 1.00 0.00 H new ATOM 1601 N TYR A 107 2.089 -0.915 4.732 1.00 0.00 N ATOM 1602 CA TYR A 107 1.428 -2.145 5.135 1.00 0.00 C ATOM 1603 C TYR A 107 0.128 -1.849 5.885 1.00 0.00 C ATOM 1604 O TYR A 107 -0.952 -2.232 5.438 1.00 0.00 O ATOM 1605 CB TYR A 107 2.399 -2.855 6.080 1.00 0.00 C ATOM 1606 CG TYR A 107 1.945 -4.254 6.503 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.820 -4.406 7.288 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.660 -5.363 6.100 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.393 -5.722 7.685 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.233 -6.679 6.497 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.120 -6.794 7.271 1.00 0.00 C ATOM 1612 OH TYR A 107 0.717 -8.037 7.646 1.00 0.00 O ATOM 0 H TYR A 107 3.011 -0.772 5.143 1.00 0.00 H new ATOM 0 HA TYR A 107 1.176 -2.749 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.372 -2.931 5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.535 -2.243 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.260 -3.538 7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.541 -5.244 5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.486 -5.855 8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 107 2.784 -7.555 6.188 1.00 0.00 H new ATOM 0 HH TYR A 107 1.331 -8.705 7.276 1.00 0.00 H new ATOM 1622 N ASN A 108 0.276 -1.170 7.013 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.873 -0.818 7.830 1.00 0.00 C ATOM 1624 C ASN A 108 -2.025 -0.381 6.922 1.00 0.00 C ATOM 1625 O ASN A 108 -3.150 -0.854 7.070 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.546 0.343 8.771 1.00 0.00 C ATOM 1627 CG ASN A 108 0.006 -0.169 10.103 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.683 -0.228 11.108 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.284 -0.535 10.055 1.00 0.00 N ATOM 0 H ASN A 108 1.174 -0.854 7.380 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.148 -1.693 8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.183 1.003 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.444 0.935 8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.744 -0.891 10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.803 -0.460 9.180 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.703 0.518 6.004 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.696 1.025 5.072 1.00 0.00 C ATOM 1638 C ILE A 109 -3.469 -0.150 4.469 1.00 0.00 C ATOM 1639 O ILE A 109 -4.668 -0.292 4.700 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.038 1.929 4.028 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.431 3.172 4.683 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.026 2.291 2.917 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.574 3.953 3.686 1.00 0.00 C ATOM 0 H ILE A 109 -0.768 0.909 5.885 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.421 1.652 5.591 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.220 1.378 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.227 3.812 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.823 2.877 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.534 2.934 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.370 1.381 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.880 2.816 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.154 4.831 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.235 3.318 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.191 4.268 2.844 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.750 -0.961 3.707 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.354 -2.119 3.069 1.00 0.00 C ATOM 1657 C ILE A 110 -4.121 -2.930 4.115 1.00 0.00 C ATOM 1658 O ILE A 110 -5.198 -3.453 3.832 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.295 -2.929 2.318 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.797 -2.172 1.085 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.821 -4.321 1.962 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.273 -2.247 0.974 1.00 0.00 C ATOM 0 H ILE A 110 -1.755 -0.839 3.517 1.00 0.00 H new ATOM 0 HA ILE A 110 -4.077 -1.806 2.316 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.439 -3.067 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.252 -2.592 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.110 -1.130 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.049 -4.876 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.086 -4.854 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.703 -4.226 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.055 -1.701 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.179 -1.804 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.035 -3.289 0.892 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.537 -3.009 5.301 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.153 -3.748 6.391 1.00 0.00 C ATOM 1676 C LEU A 111 -5.479 -3.083 6.766 1.00 0.00 C ATOM 1677 O LEU A 111 -6.455 -3.766 7.074 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.180 -3.883 7.564 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.772 -4.420 8.868 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.078 -5.915 8.757 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -2.858 -4.109 10.055 1.00 0.00 C ATOM 0 H LEU A 111 -2.644 -2.574 5.532 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.383 -4.767 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.365 -4.540 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.743 -2.904 7.762 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.718 -3.910 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.498 -6.271 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.796 -6.081 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.159 -6.459 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.303 -4.502 10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.885 -4.573 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.735 -3.030 10.146 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.472 -1.759 6.729 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.662 -0.994 7.061 1.00 0.00 C ATOM 1695 C GLU A 112 -7.695 -1.105 5.938 1.00 0.00 C ATOM 1696 O GLU A 112 -8.850 -0.719 6.111 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.314 0.469 7.342 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.670 0.623 8.721 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.446 1.624 9.580 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.650 1.370 9.798 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.817 2.620 9.999 1.00 0.00 O ATOM 0 H GLU A 112 -4.661 -1.196 6.474 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.095 -1.411 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.633 0.839 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.216 1.078 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.639 -0.345 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.638 0.957 8.609 1.00 0.00 H new ATOM 1708 N SER A 113 -7.243 -1.636 4.811 1.00 0.00 N ATOM 1709 CA SER A 113 -8.113 -1.803 3.660 1.00 0.00 C ATOM 1710 C SER A 113 -8.130 -3.269 3.224 1.00 0.00 C ATOM 1711 O SER A 113 -8.403 -3.573 2.064 1.00 0.00 O ATOM 1712 CB SER A 113 -7.670 -0.909 2.500 1.00 0.00 C ATOM 1713 OG SER A 113 -7.545 0.454 2.893 1.00 0.00 O ATOM 0 H SER A 113 -6.285 -1.956 4.671 1.00 0.00 H new ATOM 0 HA SER A 113 -9.121 -1.505 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.714 -1.264 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.391 -0.987 1.687 1.00 0.00 H new ATOM 0 HG SER A 113 -6.972 0.928 2.254 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.833 -4.140 4.178 1.00 0.00 N ATOM 1720 CA LYS A 114 -7.810 -5.567 3.907 1.00 0.00 C ATOM 1721 C LYS A 114 -9.244 -6.073 3.736 1.00 0.00 C ATOM 1722 O LYS A 114 -9.557 -6.744 2.754 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.023 -6.306 4.992 1.00 0.00 C ATOM 1724 CG LYS A 114 -5.587 -6.576 4.539 1.00 0.00 C ATOM 1725 CD LYS A 114 -4.830 -7.402 5.581 1.00 0.00 C ATOM 1726 CE LYS A 114 -3.884 -8.399 4.909 1.00 0.00 C ATOM 1727 NZ LYS A 114 -2.532 -8.314 5.506 1.00 0.00 N ATOM 0 H LYS A 114 -7.606 -3.885 5.139 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.287 -5.768 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.014 -5.714 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.517 -7.249 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.596 -7.106 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.070 -5.631 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.262 -6.739 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.540 -7.937 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.274 -9.411 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.829 -8.194 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.902 -8.997 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.156 -7.353 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.587 -8.532 6.521 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.100 -5.722 4.733 1.00 0.00 N ATOM 1742 CA PRO A 115 -11.493 -6.133 4.702 1.00 0.00 C ATOM 1743 C PRO A 115 -12.286 -5.308 3.685 1.00 0.00 C ATOM 1744 O PRO A 115 -13.341 -5.737 3.221 1.00 0.00 O ATOM 1745 CB PRO A 115 -11.989 -5.952 6.128 1.00 0.00 C ATOM 1746 CG PRO A 115 -10.997 -5.015 6.798 1.00 0.00 C ATOM 1747 CD PRO A 115 -9.765 -4.929 5.912 1.00 0.00 C ATOM 0 HA PRO A 115 -11.619 -7.166 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.994 -5.531 6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.037 -6.908 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.438 -4.028 6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.730 -5.386 7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.541 -3.896 5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.885 -5.325 6.418 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.746 -4.140 3.370 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.389 -3.252 2.416 1.00 0.00 C ATOM 1757 C GLU A 116 -12.996 -4.058 1.266 1.00 0.00 C ATOM 1758 O GLU A 116 -12.455 -5.090 0.873 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.405 -2.205 1.892 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.580 -0.873 2.624 1.00 0.00 C ATOM 1761 CD GLU A 116 -12.059 0.220 1.667 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.344 0.452 0.668 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -13.129 0.799 1.955 1.00 0.00 O ATOM 0 H GLU A 116 -10.871 -3.788 3.758 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.193 -2.723 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.384 -2.564 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.559 -2.059 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.298 -0.991 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.634 -0.576 3.077 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.141 -3.542 0.745 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.828 -4.202 -0.353 1.00 0.00 C ATOM 1772 C PRO A 117 -14.087 -3.983 -1.674 1.00 0.00 C ATOM 1773 O PRO A 117 -14.060 -4.868 -2.528 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.229 -3.612 -0.352 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.135 -2.318 0.439 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.811 -2.321 1.184 1.00 0.00 C ATOM 0 HA PRO A 117 -14.867 -5.285 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.575 -3.424 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.942 -4.298 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.196 -1.458 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.967 -2.238 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.220 -1.437 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.964 -2.319 2.263 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.504 -2.800 -1.799 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.765 -2.454 -3.002 1.00 0.00 C ATOM 1786 C GLN A 118 -11.399 -1.872 -2.635 1.00 0.00 C ATOM 1787 O GLN A 118 -11.108 -1.652 -1.460 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.561 -1.480 -3.873 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.388 -0.041 -3.383 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.623 0.802 -3.711 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.759 1.082 -5.004 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.401 1.172 -2.847 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.528 -2.069 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.607 -3.363 -3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.230 -1.558 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.617 -1.750 -3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.216 -0.038 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.507 0.402 -3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.237 0.921 -1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.215 1.732 -3.100 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.595 -1.640 -3.663 1.00 0.00 N ATOM 1802 CA VAL A 119 -9.266 -1.087 -3.464 1.00 0.00 C ATOM 1803 C VAL A 119 -8.873 -0.261 -4.690 1.00 0.00 C ATOM 1804 O VAL A 119 -8.923 -0.753 -5.817 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.273 -2.210 -3.157 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.870 -1.651 -2.914 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.744 -3.047 -1.965 1.00 0.00 C ATOM 0 H VAL A 119 -10.839 -1.825 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.256 -0.417 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 119 -8.226 -2.863 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.184 -2.470 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.531 -1.119 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.893 -0.965 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -8.021 -3.838 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.834 -2.409 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.714 -3.490 -2.192 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.492 0.981 -4.430 1.00 0.00 N ATOM 1818 CA GLU A 120 -8.090 1.880 -5.498 1.00 0.00 C ATOM 1819 C GLU A 120 -6.599 2.204 -5.387 1.00 0.00 C ATOM 1820 O GLU A 120 -6.180 2.908 -4.470 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.932 3.158 -5.484 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.555 4.075 -6.650 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.827 5.540 -6.304 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -7.896 6.179 -5.768 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.960 5.989 -6.585 1.00 0.00 O ATOM 0 H GLU A 120 -8.453 1.386 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.262 1.381 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.990 2.902 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.786 3.684 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.501 3.945 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.124 3.795 -7.536 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.839 1.675 -6.335 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.404 1.899 -6.355 1.00 0.00 C ATOM 1834 C LEU A 121 -4.080 3.016 -7.349 1.00 0.00 C ATOM 1835 O LEU A 121 -4.898 3.344 -8.207 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.661 0.591 -6.636 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.315 -0.260 -5.412 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.460 -0.253 -4.398 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.924 -1.680 -5.825 1.00 0.00 C ATOM 0 H LEU A 121 -6.190 1.092 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.057 2.232 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.268 -0.011 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.736 0.827 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.448 0.183 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.188 -0.865 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.650 0.769 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.359 -0.658 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.683 -2.264 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.756 -2.148 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.054 -1.642 -6.481 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.885 3.569 -7.201 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.443 4.642 -8.076 1.00 0.00 C ATOM 1853 C VAL A 122 -0.928 4.550 -8.263 1.00 0.00 C ATOM 1854 O VAL A 122 -0.166 4.859 -7.347 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.897 5.992 -7.518 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.576 7.125 -8.495 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.387 5.970 -7.173 1.00 0.00 C ATOM 0 H VAL A 122 -2.209 3.294 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.898 4.544 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.344 6.177 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.909 8.074 -8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.500 7.162 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.090 6.947 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.684 6.942 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.965 5.751 -8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.576 5.201 -6.424 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.535 4.125 -9.454 1.00 0.00 N ATOM 1868 CA VAL A 123 0.876 3.989 -9.772 1.00 0.00 C ATOM 1869 C VAL A 123 1.283 5.095 -10.749 1.00 0.00 C ATOM 1870 O VAL A 123 0.435 5.672 -11.427 1.00 0.00 O ATOM 1871 CB VAL A 123 1.159 2.584 -10.309 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.054 2.129 -11.264 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.530 2.521 -10.986 1.00 0.00 C ATOM 0 H VAL A 123 -1.169 3.870 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 123 1.483 4.108 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 123 1.172 1.898 -9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.280 1.128 -11.631 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.900 2.116 -10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -0.006 2.819 -12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.706 1.512 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.558 3.225 -11.818 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.304 2.781 -10.264 1.00 0.00 H new ATOM 1883 N SER A 124 2.582 5.357 -10.788 1.00 0.00 N ATOM 1884 CA SER A 124 3.111 6.383 -11.670 1.00 0.00 C ATOM 1885 C SER A 124 4.222 5.798 -12.545 1.00 0.00 C ATOM 1886 O SER A 124 5.019 4.984 -12.082 1.00 0.00 O ATOM 1887 CB SER A 124 3.638 7.577 -10.872 1.00 0.00 C ATOM 1888 OG SER A 124 2.608 8.515 -10.572 1.00 0.00 O ATOM 0 H SER A 124 3.283 4.877 -10.223 1.00 0.00 H new ATOM 0 HA SER A 124 2.301 6.736 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.087 7.223 -9.944 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.426 8.073 -11.439 1.00 0.00 H new ATOM 0 HG SER A 124 1.733 8.096 -10.712 1.00 0.00 H new ATOM 1894 N ARG A 125 4.238 6.237 -13.796 1.00 0.00 N ATOM 1895 CA ARG A 125 5.238 5.767 -14.740 1.00 0.00 C ATOM 1896 C ARG A 125 6.004 6.951 -15.334 1.00 0.00 C ATOM 1897 O ARG A 125 5.552 8.092 -15.251 1.00 0.00 O ATOM 1898 CB ARG A 125 4.593 4.966 -15.872 1.00 0.00 C ATOM 1899 CG ARG A 125 5.136 3.536 -15.911 1.00 0.00 C ATOM 1900 CD ARG A 125 4.200 2.615 -16.696 1.00 0.00 C ATOM 1901 NE ARG A 125 4.132 1.287 -16.044 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.797 0.156 -16.678 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.497 0.183 -17.984 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.761 -1.003 -16.006 1.00 0.00 N ATOM 0 H ARG A 125 3.575 6.912 -14.177 1.00 0.00 H new ATOM 0 HA ARG A 125 5.927 5.119 -14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.512 4.945 -15.737 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.785 5.458 -16.826 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.125 3.531 -16.369 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.254 3.160 -14.895 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.204 3.055 -16.749 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.556 2.508 -17.721 1.00 0.00 H new ATOM 0 HE ARG A 125 4.354 1.230 -15.050 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.524 1.065 -18.495 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.242 -0.679 -18.467 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.989 -1.023 -15.012 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.506 -1.865 -16.489 1.00 0.00 H new ATOM 1918 N SER A 126 7.150 6.638 -15.921 1.00 0.00 N ATOM 1919 CA SER A 126 7.983 7.662 -16.529 1.00 0.00 C ATOM 1920 C SER A 126 7.952 7.525 -18.053 1.00 0.00 C ATOM 1921 O SER A 126 8.510 6.579 -18.606 1.00 0.00 O ATOM 1922 CB SER A 126 9.423 7.576 -16.018 1.00 0.00 C ATOM 1923 OG SER A 126 10.198 6.640 -16.761 1.00 0.00 O ATOM 0 H SER A 126 7.521 5.690 -15.989 1.00 0.00 H new ATOM 0 HA SER A 126 7.584 8.637 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.888 8.560 -16.078 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.418 7.289 -14.967 1.00 0.00 H new ATOM 0 HG SER A 126 9.613 6.139 -17.367 1.00 0.00 H new ATOM 1929 N GLY A 127 7.293 8.483 -18.688 1.00 0.00 N ATOM 1930 CA GLY A 127 7.182 8.481 -20.136 1.00 0.00 C ATOM 1931 C GLY A 127 8.510 8.090 -20.788 1.00 0.00 C ATOM 1932 O GLY A 127 9.553 8.104 -20.137 1.00 0.00 O ATOM 0 H GLY A 127 6.831 9.266 -18.226 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.403 7.784 -20.443 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.880 9.469 -20.482 1.00 0.00 H new ATOM 1936 N PRO A 128 8.425 7.739 -22.099 1.00 0.00 N ATOM 1937 CA PRO A 128 9.607 7.344 -22.846 1.00 0.00 C ATOM 1938 C PRO A 128 10.470 8.560 -23.190 1.00 0.00 C ATOM 1939 O PRO A 128 9.950 9.606 -23.574 1.00 0.00 O ATOM 1940 CB PRO A 128 9.074 6.627 -24.075 1.00 0.00 C ATOM 1941 CG PRO A 128 7.621 7.051 -24.208 1.00 0.00 C ATOM 1942 CD PRO A 128 7.207 7.711 -22.903 1.00 0.00 C ATOM 0 HA PRO A 128 10.267 6.691 -22.275 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.643 6.900 -24.964 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.157 5.546 -23.963 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.500 7.743 -25.041 1.00 0.00 H new ATOM 0 HG3 PRO A 128 6.989 6.188 -24.417 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.821 8.716 -23.073 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.418 7.146 -22.407 1.00 0.00 H new ATOM 1950 N SER A 129 11.775 8.381 -23.041 1.00 0.00 N ATOM 1951 CA SER A 129 12.714 9.451 -23.331 1.00 0.00 C ATOM 1952 C SER A 129 14.147 8.968 -23.093 1.00 0.00 C ATOM 1953 O SER A 129 14.368 8.011 -22.352 1.00 0.00 O ATOM 1954 CB SER A 129 12.423 10.687 -22.478 1.00 0.00 C ATOM 1955 OG SER A 129 12.453 10.394 -21.084 1.00 0.00 O ATOM 0 H SER A 129 12.203 7.512 -22.723 1.00 0.00 H new ATOM 0 HA SER A 129 12.600 9.731 -24.378 1.00 0.00 H new ATOM 0 HB2 SER A 129 13.156 11.462 -22.701 1.00 0.00 H new ATOM 0 HB3 SER A 129 11.445 11.088 -22.743 1.00 0.00 H new ATOM 0 HG SER A 129 12.264 11.209 -20.574 1.00 0.00 H new ATOM 1961 N SER A 130 15.082 9.652 -23.735 1.00 0.00 N ATOM 1962 CA SER A 130 16.487 9.304 -23.602 1.00 0.00 C ATOM 1963 C SER A 130 17.307 10.554 -23.277 1.00 0.00 C ATOM 1964 O SER A 130 17.094 11.612 -23.868 1.00 0.00 O ATOM 1965 CB SER A 130 17.013 8.641 -24.877 1.00 0.00 C ATOM 1966 OG SER A 130 17.067 7.222 -24.757 1.00 0.00 O ATOM 0 H SER A 130 14.895 10.445 -24.349 1.00 0.00 H new ATOM 0 HA SER A 130 16.587 8.589 -22.785 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.372 8.910 -25.717 1.00 0.00 H new ATOM 0 HB3 SER A 130 18.009 9.024 -25.101 1.00 0.00 H new ATOM 0 HG SER A 130 17.406 6.836 -25.591 1.00 0.00 H new ATOM 1972 N GLY A 131 18.227 10.392 -22.338 1.00 0.00 N ATOM 1973 CA GLY A 131 19.079 11.494 -21.927 1.00 0.00 C ATOM 1974 C GLY A 131 18.632 12.060 -20.578 1.00 0.00 C ATOM 1975 O GLY A 131 19.355 11.960 -19.588 1.00 0.00 O ATOM 0 H GLY A 131 18.401 9.513 -21.850 1.00 0.00 H new ATOM 0 HA2 GLY A 131 20.112 11.153 -21.858 1.00 0.00 H new ATOM 0 HA3 GLY A 131 19.052 12.280 -22.682 1.00 0.00 H new TER 1979 GLY A 131