USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1099 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 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.583 K(o=-0.58,f=0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 20 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-9.3!) USER MOD Single : A 28 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.77) USER MOD Single : A 33 MET CE :methyl -107:sc= -7.93! (180deg=-18!) USER MOD Single : A 38 THR OG1 : rot -140:sc= -0.0333 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 2:sc= 0.824! USER MOD Single : A 55 SER OG : rot -105:sc= -2.51 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.213 USER MOD Single : A 81 SER OG : rot 11:sc= -0.305 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -6! C(o=-6!,f=-8.7!) USER MOD Single : A 97 THR OG1 : rot -170:sc= -0.857 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 101 MET CE :methyl -121:sc= -0.542 (180deg=-3.69!) USER MOD Single : A 106 LYS NZ :NH3+ -158:sc= -0.12 (180deg=-0.583) USER MOD Single : A 109 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 126:sc= 0.99 USER MOD Single : A 121 HIS : no HD1:sc= -3.82! K(o=-3.8!,f=-4.6) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -108:sc= -0.728 (180deg=-2.4!) USER MOD Single : A 133 LYS NZ :NH3+ 134:sc= 0.0165 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.942 2.543 19.394 1.00 0.00 N ATOM 2 CA MET A 1 -4.948 3.652 18.405 1.00 0.00 C ATOM 3 C MET A 1 -4.051 3.333 17.213 1.00 0.00 C ATOM 4 O MET A 1 -2.892 3.745 17.167 1.00 0.00 O ATOM 5 CB MET A 1 -4.468 4.928 19.100 1.00 0.00 C ATOM 6 CG MET A 1 -4.679 6.187 18.274 1.00 0.00 C ATOM 7 SD MET A 1 -6.417 6.644 18.136 1.00 0.00 S ATOM 8 CE MET A 1 -6.372 8.331 18.734 1.00 0.00 C ATOM 0 H1 MET A 1 -5.560 2.788 20.194 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.288 1.673 18.942 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.973 2.391 19.740 1.00 0.00 H new ATOM 0 HA MET A 1 -5.961 3.788 18.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.993 5.034 20.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.407 4.829 19.331 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.126 7.010 18.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.267 6.036 17.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.377 8.753 18.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.998 8.344 19.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.714 8.925 18.099 1.00 0.00 H new ATOM 20 N LYS A 2 -4.596 2.596 16.250 1.00 0.00 N ATOM 21 CA LYS A 2 -3.846 2.219 15.057 1.00 0.00 C ATOM 22 C LYS A 2 -4.108 3.199 13.918 1.00 0.00 C ATOM 23 O LYS A 2 -3.248 3.417 13.064 1.00 0.00 O ATOM 24 CB LYS A 2 -4.220 0.801 14.620 1.00 0.00 C ATOM 25 CG LYS A 2 -4.214 -0.209 15.757 1.00 0.00 C ATOM 26 CD LYS A 2 -2.953 -1.057 15.745 1.00 0.00 C ATOM 27 CE LYS A 2 -2.483 -1.377 17.156 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.660 -2.617 17.199 1.00 0.00 N ATOM 0 H LYS A 2 -5.555 2.248 16.273 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.784 2.248 15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.211 0.819 14.167 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.523 0.472 13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.292 0.314 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.088 -0.855 15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.142 -1.984 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.164 -0.530 15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.900 -0.541 17.543 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.348 -1.492 17.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.359 -2.800 18.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.224 -3.420 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.821 -2.498 16.596 1.00 0.00 H new ATOM 42 N GLY A 3 -5.300 3.786 13.909 1.00 0.00 N ATOM 43 CA GLY A 3 -5.654 4.734 12.868 1.00 0.00 C ATOM 44 C GLY A 3 -6.311 4.076 11.670 1.00 0.00 C ATOM 45 O GLY A 3 -6.773 4.760 10.758 1.00 0.00 O ATOM 0 H GLY A 3 -6.028 3.622 14.604 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.329 5.484 13.280 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.756 5.259 12.541 1.00 0.00 H new ATOM 49 N PHE A 4 -6.347 2.745 11.663 1.00 0.00 N ATOM 50 CA PHE A 4 -6.945 2.003 10.558 1.00 0.00 C ATOM 51 C PHE A 4 -8.288 1.388 10.958 1.00 0.00 C ATOM 52 O PHE A 4 -8.446 0.877 12.068 1.00 0.00 O ATOM 53 CB PHE A 4 -5.972 0.923 10.071 1.00 0.00 C ATOM 54 CG PHE A 4 -6.049 -0.370 10.836 1.00 0.00 C ATOM 55 CD1 PHE A 4 -7.033 -1.303 10.550 1.00 0.00 C ATOM 56 CD2 PHE A 4 -5.137 -0.650 11.841 1.00 0.00 C ATOM 57 CE1 PHE A 4 -7.105 -2.492 11.250 1.00 0.00 C ATOM 58 CE2 PHE A 4 -5.203 -1.837 12.544 1.00 0.00 C ATOM 59 CZ PHE A 4 -6.189 -2.759 12.249 1.00 0.00 C ATOM 0 H PHE A 4 -5.970 2.160 12.409 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.139 2.699 9.742 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.169 0.721 9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.955 1.310 10.136 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.752 -1.098 9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.366 0.068 12.077 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.876 -3.211 11.017 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.485 -2.044 13.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.243 -3.687 12.799 1.00 0.00 H new ATOM 69 N GLU A 5 -9.247 1.436 10.037 1.00 0.00 N ATOM 70 CA GLU A 5 -10.579 0.884 10.267 1.00 0.00 C ATOM 71 C GLU A 5 -11.147 0.337 8.961 1.00 0.00 C ATOM 72 O GLU A 5 -11.046 0.978 7.921 1.00 0.00 O ATOM 73 CB GLU A 5 -11.512 1.953 10.841 1.00 0.00 C ATOM 74 CG GLU A 5 -11.705 3.151 9.924 1.00 0.00 C ATOM 75 CD GLU A 5 -13.161 3.548 9.780 1.00 0.00 C ATOM 76 OE1 GLU A 5 -14.026 2.647 9.781 1.00 0.00 O ATOM 77 OE2 GLU A 5 -13.436 4.761 9.667 1.00 0.00 O ATOM 0 H GLU A 5 -9.124 1.856 9.116 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.500 0.072 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.483 1.503 11.046 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.113 2.297 11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.139 3.997 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.296 2.920 8.940 1.00 0.00 H new ATOM 84 N PHE A 6 -11.722 -0.857 9.011 1.00 0.00 N ATOM 85 CA PHE A 6 -12.271 -1.483 7.811 1.00 0.00 C ATOM 86 C PHE A 6 -13.786 -1.639 7.878 1.00 0.00 C ATOM 87 O PHE A 6 -14.353 -1.865 8.946 1.00 0.00 O ATOM 88 CB PHE A 6 -11.624 -2.851 7.598 1.00 0.00 C ATOM 89 CG PHE A 6 -11.705 -3.746 8.801 1.00 0.00 C ATOM 90 CD1 PHE A 6 -12.915 -4.293 9.194 1.00 0.00 C ATOM 91 CD2 PHE A 6 -10.570 -4.036 9.540 1.00 0.00 C ATOM 92 CE1 PHE A 6 -12.992 -5.116 10.302 1.00 0.00 C ATOM 93 CE2 PHE A 6 -10.640 -4.857 10.650 1.00 0.00 C ATOM 94 CZ PHE A 6 -11.854 -5.397 11.031 1.00 0.00 C ATOM 0 H PHE A 6 -11.821 -1.410 9.862 1.00 0.00 H new ATOM 0 HA PHE A 6 -12.046 -0.825 6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.106 -3.345 6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.577 -2.711 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -13.809 -4.074 8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.620 -3.616 9.246 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -13.941 -5.539 10.597 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.748 -5.076 11.218 1.00 0.00 H new ATOM 0 HZ PHE A 6 -11.912 -6.038 11.898 1.00 0.00 H new ATOM 104 N PHE A 7 -14.431 -1.545 6.715 1.00 0.00 N ATOM 105 CA PHE A 7 -15.878 -1.705 6.626 1.00 0.00 C ATOM 106 C PHE A 7 -16.200 -3.029 5.940 1.00 0.00 C ATOM 107 O PHE A 7 -15.513 -3.435 5.003 1.00 0.00 O ATOM 108 CB PHE A 7 -16.533 -0.536 5.879 1.00 0.00 C ATOM 109 CG PHE A 7 -15.682 0.086 4.803 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.600 -0.491 3.545 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.982 1.260 5.044 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.833 0.087 2.551 1.00 0.00 C ATOM 113 CE2 PHE A 7 -14.214 1.843 4.051 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.140 1.256 2.804 1.00 0.00 C ATOM 0 H PHE A 7 -13.972 -1.359 5.823 1.00 0.00 H new ATOM 0 HA PHE A 7 -16.287 -1.709 7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.462 -0.886 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.799 0.235 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -16.142 -1.402 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -15.037 1.724 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.775 -0.375 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.673 2.756 4.252 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.542 1.709 2.027 1.00 0.00 H new ATOM 124 N ASP A 8 -17.219 -3.720 6.439 1.00 0.00 N ATOM 125 CA ASP A 8 -17.597 -5.023 5.901 1.00 0.00 C ATOM 126 C ASP A 8 -18.414 -4.928 4.615 1.00 0.00 C ATOM 127 O ASP A 8 -19.614 -4.658 4.644 1.00 0.00 O ATOM 128 CB ASP A 8 -18.380 -5.815 6.945 1.00 0.00 C ATOM 129 CG ASP A 8 -17.632 -5.942 8.258 1.00 0.00 C ATOM 130 OD1 ASP A 8 -17.180 -4.904 8.786 1.00 0.00 O ATOM 131 OD2 ASP A 8 -17.498 -7.078 8.758 1.00 0.00 O ATOM 0 H ASP A 8 -17.798 -3.400 7.215 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.668 -5.537 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.339 -5.328 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.595 -6.810 6.555 1.00 0.00 H new ATOM 136 N VAL A 9 -17.757 -5.207 3.494 1.00 0.00 N ATOM 137 CA VAL A 9 -18.413 -5.213 2.191 1.00 0.00 C ATOM 138 C VAL A 9 -18.584 -6.649 1.723 1.00 0.00 C ATOM 139 O VAL A 9 -17.775 -7.516 2.057 1.00 0.00 O ATOM 140 CB VAL A 9 -17.618 -4.416 1.118 1.00 0.00 C ATOM 141 CG1 VAL A 9 -17.622 -5.115 -0.235 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.193 -3.042 0.940 1.00 0.00 C ATOM 0 H VAL A 9 -16.763 -5.434 3.462 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.380 -4.725 2.310 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.592 -4.353 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.055 -4.522 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.166 -6.100 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.648 -5.224 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.621 -2.503 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.232 -3.121 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.145 -2.502 1.886 1.00 0.00 H new ATOM 152 N THR A 10 -19.614 -6.899 0.935 1.00 0.00 N ATOM 153 CA THR A 10 -19.842 -8.233 0.416 1.00 0.00 C ATOM 154 C THR A 10 -19.087 -8.417 -0.898 1.00 0.00 C ATOM 155 O THR A 10 -19.453 -7.813 -1.906 1.00 0.00 O ATOM 156 CB THR A 10 -21.338 -8.485 0.214 1.00 0.00 C ATOM 157 OG1 THR A 10 -22.039 -8.353 1.437 1.00 0.00 O ATOM 158 CG2 THR A 10 -21.645 -9.857 -0.348 1.00 0.00 C ATOM 0 H THR A 10 -20.299 -6.202 0.643 1.00 0.00 H new ATOM 0 HA THR A 10 -19.470 -8.958 1.140 1.00 0.00 H new ATOM 0 HB THR A 10 -21.661 -7.735 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.993 -8.516 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 10 -22.723 -9.969 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 10 -21.160 -9.970 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.273 -10.621 0.335 1.00 0.00 H new ATOM 166 N ALA A 11 -18.017 -9.232 -0.874 1.00 0.00 N ATOM 167 CA ALA A 11 -17.182 -9.482 -2.057 1.00 0.00 C ATOM 168 C ALA A 11 -15.865 -8.735 -1.924 1.00 0.00 C ATOM 169 O ALA A 11 -14.795 -9.270 -2.209 1.00 0.00 O ATOM 170 CB ALA A 11 -17.884 -9.063 -3.342 1.00 0.00 C ATOM 0 H ALA A 11 -17.711 -9.731 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.996 -10.555 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.234 -9.264 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.810 -9.627 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.111 -7.998 -3.302 1.00 0.00 H new ATOM 176 N ASP A 12 -15.969 -7.488 -1.492 1.00 0.00 N ATOM 177 CA ASP A 12 -14.811 -6.623 -1.307 1.00 0.00 C ATOM 178 C ASP A 12 -14.739 -6.089 0.122 1.00 0.00 C ATOM 179 O ASP A 12 -15.689 -6.196 0.890 1.00 0.00 O ATOM 180 CB ASP A 12 -14.851 -5.433 -2.277 1.00 0.00 C ATOM 181 CG ASP A 12 -16.097 -5.410 -3.144 1.00 0.00 C ATOM 182 OD1 ASP A 12 -16.337 -6.401 -3.864 1.00 0.00 O ATOM 183 OD2 ASP A 12 -16.830 -4.399 -3.104 1.00 0.00 O ATOM 0 H ASP A 12 -16.858 -7.046 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.928 -7.229 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.796 -4.506 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.970 -5.466 -2.918 1.00 0.00 H new ATOM 188 N ALA A 13 -13.605 -5.493 0.457 1.00 0.00 N ATOM 189 CA ALA A 13 -13.404 -4.894 1.765 1.00 0.00 C ATOM 190 C ALA A 13 -12.458 -3.705 1.641 1.00 0.00 C ATOM 191 O ALA A 13 -11.315 -3.873 1.236 1.00 0.00 O ATOM 192 CB ALA A 13 -12.855 -5.921 2.741 1.00 0.00 C ATOM 0 H ALA A 13 -12.803 -5.412 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.362 -4.544 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.710 -5.455 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.560 -6.747 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.900 -6.298 2.374 1.00 0.00 H new ATOM 198 N GLY A 14 -12.909 -2.516 2.013 1.00 0.00 N ATOM 199 CA GLY A 14 -12.041 -1.349 1.938 1.00 0.00 C ATOM 200 C GLY A 14 -11.762 -0.798 3.314 1.00 0.00 C ATOM 201 O GLY A 14 -12.683 -0.573 4.098 1.00 0.00 O ATOM 0 H GLY A 14 -13.850 -2.335 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.103 -1.619 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.509 -0.581 1.322 1.00 0.00 H new ATOM 205 N PHE A 15 -10.491 -0.614 3.630 1.00 0.00 N ATOM 206 CA PHE A 15 -10.113 -0.122 4.944 1.00 0.00 C ATOM 207 C PHE A 15 -9.655 1.324 4.883 1.00 0.00 C ATOM 208 O PHE A 15 -9.062 1.768 3.900 1.00 0.00 O ATOM 209 CB PHE A 15 -9.011 -0.995 5.553 1.00 0.00 C ATOM 210 CG PHE A 15 -9.081 -2.447 5.152 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.302 -3.067 4.932 1.00 0.00 C ATOM 212 CD2 PHE A 15 -7.922 -3.190 4.998 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.364 -4.398 4.564 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.978 -4.522 4.631 1.00 0.00 C ATOM 215 CZ PHE A 15 -9.200 -5.127 4.414 1.00 0.00 C ATOM 0 H PHE A 15 -9.709 -0.796 3.001 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.997 -0.173 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.041 -0.595 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.067 -0.926 6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.215 -2.503 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.963 -2.723 5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.322 -4.868 4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.066 -5.089 4.514 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.246 -6.167 4.128 1.00 0.00 H new ATOM 225 N TRP A 16 -9.932 2.047 5.957 1.00 0.00 N ATOM 226 CA TRP A 16 -9.554 3.443 6.067 1.00 0.00 C ATOM 227 C TRP A 16 -8.474 3.599 7.126 1.00 0.00 C ATOM 228 O TRP A 16 -8.650 3.183 8.269 1.00 0.00 O ATOM 229 CB TRP A 16 -10.777 4.287 6.440 1.00 0.00 C ATOM 230 CG TRP A 16 -10.947 5.513 5.594 1.00 0.00 C ATOM 231 CD1 TRP A 16 -10.619 5.655 4.278 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.494 6.771 6.009 1.00 0.00 C ATOM 233 NE1 TRP A 16 -10.926 6.922 3.848 1.00 0.00 N ATOM 234 CE2 TRP A 16 -11.464 7.627 4.893 1.00 0.00 C ATOM 235 CE3 TRP A 16 -12.006 7.255 7.217 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -11.927 8.940 4.948 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -12.464 8.558 7.270 1.00 0.00 C ATOM 238 CH2 TRP A 16 -12.422 9.388 6.142 1.00 0.00 C ATOM 0 H TRP A 16 -10.423 1.682 6.773 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.167 3.786 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.672 3.671 6.354 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.695 4.586 7.485 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -10.181 4.883 3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.778 7.280 2.905 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -12.043 6.623 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.896 9.581 4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.861 8.943 8.197 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.788 10.401 6.217 1.00 0.00 H new ATOM 249 N ALA A 17 -7.363 4.204 6.743 1.00 0.00 N ATOM 250 CA ALA A 17 -6.259 4.419 7.664 1.00 0.00 C ATOM 251 C ALA A 17 -5.870 5.866 7.683 1.00 0.00 C ATOM 252 O ALA A 17 -6.162 6.610 6.750 1.00 0.00 O ATOM 253 CB ALA A 17 -5.070 3.540 7.303 1.00 0.00 C ATOM 0 H ALA A 17 -7.201 4.556 5.799 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.587 4.139 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.258 3.720 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.365 2.492 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.735 3.778 6.294 1.00 0.00 H new ATOM 259 N TYR A 18 -5.244 6.273 8.768 1.00 0.00 N ATOM 260 CA TYR A 18 -4.854 7.656 8.915 1.00 0.00 C ATOM 261 C TYR A 18 -3.371 7.809 9.228 1.00 0.00 C ATOM 262 O TYR A 18 -2.714 6.875 9.687 1.00 0.00 O ATOM 263 CB TYR A 18 -5.699 8.339 9.986 1.00 0.00 C ATOM 264 CG TYR A 18 -6.909 7.555 10.446 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.849 7.089 9.536 1.00 0.00 C ATOM 266 CD2 TYR A 18 -7.116 7.298 11.793 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.959 6.385 9.957 1.00 0.00 C ATOM 268 CE2 TYR A 18 -8.224 6.596 12.223 1.00 0.00 C ATOM 269 CZ TYR A 18 -9.143 6.141 11.301 1.00 0.00 C ATOM 270 OH TYR A 18 -10.249 5.442 11.727 1.00 0.00 O ATOM 0 H TYR A 18 -4.997 5.671 9.553 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.032 8.143 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.067 8.542 10.851 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.034 9.303 9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.709 7.281 8.482 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.398 7.653 12.518 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.680 6.027 9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.370 6.404 13.276 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.226 5.356 12.703 1.00 0.00 H new ATOM 280 N GLY A 19 -2.857 9.006 8.963 1.00 0.00 N ATOM 281 CA GLY A 19 -1.459 9.298 9.203 1.00 0.00 C ATOM 282 C GLY A 19 -1.233 10.373 10.189 1.00 0.00 C ATOM 283 O GLY A 19 -2.090 10.741 10.991 1.00 0.00 O ATOM 0 H GLY A 19 -3.393 9.786 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.963 8.391 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.990 9.579 8.260 1.00 0.00 H new ATOM 287 N HIS A 20 -0.030 10.843 10.106 1.00 0.00 N ATOM 288 CA HIS A 20 0.468 11.863 10.938 1.00 0.00 C ATOM 289 C HIS A 20 1.330 12.807 10.107 1.00 0.00 C ATOM 290 O HIS A 20 1.948 13.733 10.632 1.00 0.00 O ATOM 291 CB HIS A 20 1.283 11.209 12.031 1.00 0.00 C ATOM 292 CG HIS A 20 1.337 9.708 11.980 1.00 0.00 C ATOM 293 ND1 HIS A 20 2.516 9.002 11.850 1.00 0.00 N ATOM 294 CD2 HIS A 20 0.355 8.778 12.065 1.00 0.00 C ATOM 295 CE1 HIS A 20 2.256 7.707 11.857 1.00 0.00 C ATOM 296 NE2 HIS A 20 0.953 7.545 11.987 1.00 0.00 N ATOM 0 H HIS A 20 0.651 10.506 9.426 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.340 12.443 11.383 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.301 11.595 11.983 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.874 11.509 12.996 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.702 8.971 12.174 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.986 6.915 11.771 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.468 6.648 12.024 1.00 0.00 H new ATOM 305 N ASP A 21 1.366 12.553 8.796 1.00 0.00 N ATOM 306 CA ASP A 21 2.160 13.375 7.882 1.00 0.00 C ATOM 307 C ASP A 21 1.975 12.938 6.430 1.00 0.00 C ATOM 308 O ASP A 21 2.904 13.006 5.627 1.00 0.00 O ATOM 309 CB ASP A 21 3.641 13.305 8.261 1.00 0.00 C ATOM 310 CG ASP A 21 4.397 14.561 7.877 1.00 0.00 C ATOM 311 OD1 ASP A 21 4.153 15.615 8.501 1.00 0.00 O ATOM 312 OD2 ASP A 21 5.234 14.491 6.953 1.00 0.00 O ATOM 0 H ASP A 21 0.858 11.790 8.347 1.00 0.00 H new ATOM 0 HA ASP A 21 1.810 14.403 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.731 13.145 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.098 12.445 7.771 1.00 0.00 H new ATOM 317 N LEU A 22 0.765 12.501 6.107 1.00 0.00 N ATOM 318 CA LEU A 22 0.419 12.053 4.761 1.00 0.00 C ATOM 319 C LEU A 22 1.143 10.764 4.391 1.00 0.00 C ATOM 320 O LEU A 22 0.507 9.765 4.063 1.00 0.00 O ATOM 321 CB LEU A 22 0.723 13.148 3.733 1.00 0.00 C ATOM 322 CG LEU A 22 -0.070 14.445 3.912 1.00 0.00 C ATOM 323 CD1 LEU A 22 0.728 15.450 4.730 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.443 15.032 2.560 1.00 0.00 C ATOM 0 H LEU A 22 -0.007 12.446 6.771 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.651 11.847 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.787 13.382 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.525 12.754 2.736 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.989 14.215 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.149 16.366 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.945 15.030 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.663 15.675 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.006 15.954 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.463 15.247 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.054 14.317 2.009 1.00 0.00 H new ATOM 336 N GLU A 23 2.464 10.776 4.446 1.00 0.00 N ATOM 337 CA GLU A 23 3.235 9.584 4.114 1.00 0.00 C ATOM 338 C GLU A 23 2.901 8.459 5.089 1.00 0.00 C ATOM 339 O GLU A 23 2.931 7.282 4.737 1.00 0.00 O ATOM 340 CB GLU A 23 4.743 9.882 4.108 1.00 0.00 C ATOM 341 CG GLU A 23 5.380 9.991 5.485 1.00 0.00 C ATOM 342 CD GLU A 23 5.568 11.427 5.937 1.00 0.00 C ATOM 343 OE1 GLU A 23 5.241 12.345 5.156 1.00 0.00 O ATOM 344 OE2 GLU A 23 6.043 11.632 7.073 1.00 0.00 O ATOM 0 H GLU A 23 3.022 11.586 4.714 1.00 0.00 H new ATOM 0 HA GLU A 23 2.963 9.264 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.252 9.096 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.912 10.815 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.758 9.466 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.348 9.490 5.473 1.00 0.00 H new ATOM 351 N GLU A 24 2.578 8.843 6.317 1.00 0.00 N ATOM 352 CA GLU A 24 2.232 7.888 7.361 1.00 0.00 C ATOM 353 C GLU A 24 1.038 7.027 6.955 1.00 0.00 C ATOM 354 O GLU A 24 1.044 5.815 7.166 1.00 0.00 O ATOM 355 CB GLU A 24 1.918 8.629 8.660 1.00 0.00 C ATOM 356 CG GLU A 24 2.984 9.637 9.061 1.00 0.00 C ATOM 357 CD GLU A 24 4.286 8.977 9.470 1.00 0.00 C ATOM 358 OE1 GLU A 24 4.240 7.830 9.963 1.00 0.00 O ATOM 359 OE2 GLU A 24 5.350 9.606 9.300 1.00 0.00 O ATOM 0 H GLU A 24 2.548 9.818 6.616 1.00 0.00 H new ATOM 0 HA GLU A 24 3.088 7.230 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.964 9.145 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.798 7.902 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.170 10.314 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.613 10.243 9.887 1.00 0.00 H new ATOM 366 N VAL A 25 0.010 7.653 6.382 1.00 0.00 N ATOM 367 CA VAL A 25 -1.181 6.914 5.969 1.00 0.00 C ATOM 368 C VAL A 25 -0.913 6.081 4.721 1.00 0.00 C ATOM 369 O VAL A 25 -1.396 4.956 4.599 1.00 0.00 O ATOM 370 CB VAL A 25 -2.383 7.850 5.721 1.00 0.00 C ATOM 371 CG1 VAL A 25 -2.278 8.548 4.371 1.00 0.00 C ATOM 372 CG2 VAL A 25 -3.685 7.076 5.819 1.00 0.00 C ATOM 0 H VAL A 25 -0.022 8.655 6.196 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.432 6.245 6.793 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.371 8.619 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.141 9.199 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.365 9.143 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.253 7.802 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.523 7.750 5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.693 6.282 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.775 6.639 6.814 1.00 0.00 H new ATOM 382 N PHE A 26 -0.137 6.636 3.798 1.00 0.00 N ATOM 383 CA PHE A 26 0.194 5.937 2.564 1.00 0.00 C ATOM 384 C PHE A 26 0.813 4.579 2.871 1.00 0.00 C ATOM 385 O PHE A 26 0.471 3.573 2.250 1.00 0.00 O ATOM 386 CB PHE A 26 1.147 6.777 1.720 1.00 0.00 C ATOM 387 CG PHE A 26 0.438 7.689 0.760 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.355 8.724 1.227 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.560 7.507 -0.606 1.00 0.00 C ATOM 390 CE1 PHE A 26 -1.013 9.561 0.348 1.00 0.00 C ATOM 391 CE2 PHE A 26 -0.096 8.339 -1.491 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.884 9.368 -1.014 1.00 0.00 C ATOM 0 H PHE A 26 0.274 7.566 3.881 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.724 5.778 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.777 7.373 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.808 6.114 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.460 8.878 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.176 6.705 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.628 10.365 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.007 8.185 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.398 10.020 -1.704 1.00 0.00 H new ATOM 402 N GLU A 27 1.710 4.553 3.852 1.00 0.00 N ATOM 403 CA GLU A 27 2.358 3.314 4.261 1.00 0.00 C ATOM 404 C GLU A 27 1.303 2.293 4.674 1.00 0.00 C ATOM 405 O GLU A 27 1.439 1.097 4.417 1.00 0.00 O ATOM 406 CB GLU A 27 3.317 3.571 5.425 1.00 0.00 C ATOM 407 CG GLU A 27 4.280 4.722 5.188 1.00 0.00 C ATOM 408 CD GLU A 27 4.530 5.541 6.438 1.00 0.00 C ATOM 409 OE1 GLU A 27 4.318 5.010 7.548 1.00 0.00 O ATOM 410 OE2 GLU A 27 4.939 6.714 6.306 1.00 0.00 O ATOM 0 H GLU A 27 2.004 5.376 4.378 1.00 0.00 H new ATOM 0 HA GLU A 27 2.929 2.923 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.735 3.776 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.891 2.664 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.228 4.328 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.881 5.370 4.408 1.00 0.00 H new ATOM 417 N ASN A 28 0.245 2.787 5.313 1.00 0.00 N ATOM 418 CA ASN A 28 -0.853 1.941 5.765 1.00 0.00 C ATOM 419 C ASN A 28 -1.669 1.422 4.583 1.00 0.00 C ATOM 420 O ASN A 28 -2.285 0.362 4.665 1.00 0.00 O ATOM 421 CB ASN A 28 -1.760 2.713 6.725 1.00 0.00 C ATOM 422 CG ASN A 28 -1.079 3.008 8.048 1.00 0.00 C ATOM 423 OD1 ASN A 28 -0.318 2.189 8.563 1.00 0.00 O ATOM 424 ND2 ASN A 28 -1.350 4.183 8.605 1.00 0.00 N ATOM 0 H ASN A 28 0.126 3.777 5.530 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.424 1.087 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.065 3.650 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.667 2.137 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.921 4.437 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.987 4.832 8.143 1.00 0.00 H new ATOM 431 N ALA A 29 -1.671 2.175 3.486 1.00 0.00 N ATOM 432 CA ALA A 29 -2.417 1.784 2.292 1.00 0.00 C ATOM 433 C ALA A 29 -2.053 0.367 1.863 1.00 0.00 C ATOM 434 O ALA A 29 -2.922 -0.426 1.502 1.00 0.00 O ATOM 435 CB ALA A 29 -2.150 2.764 1.159 1.00 0.00 C ATOM 0 H ALA A 29 -1.166 3.057 3.399 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.480 1.804 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.712 2.461 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.461 3.764 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.085 2.770 0.927 1.00 0.00 H new ATOM 441 N ALA A 30 -0.764 0.054 1.919 1.00 0.00 N ATOM 442 CA ALA A 30 -0.283 -1.271 1.549 1.00 0.00 C ATOM 443 C ALA A 30 -0.247 -2.197 2.764 1.00 0.00 C ATOM 444 O ALA A 30 -0.262 -3.421 2.622 1.00 0.00 O ATOM 445 CB ALA A 30 1.097 -1.174 0.916 1.00 0.00 C ATOM 0 H ALA A 30 -0.033 0.700 2.217 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.975 -1.694 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.444 -2.171 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.044 -0.552 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.793 -0.729 1.627 1.00 0.00 H new ATOM 451 N LEU A 31 -0.198 -1.606 3.955 1.00 0.00 N ATOM 452 CA LEU A 31 -0.160 -2.379 5.192 1.00 0.00 C ATOM 453 C LEU A 31 -1.546 -2.909 5.551 1.00 0.00 C ATOM 454 O LEU A 31 -1.683 -4.025 6.050 1.00 0.00 O ATOM 455 CB LEU A 31 0.385 -1.520 6.336 1.00 0.00 C ATOM 456 CG LEU A 31 1.420 -2.209 7.228 1.00 0.00 C ATOM 457 CD1 LEU A 31 2.711 -2.450 6.462 1.00 0.00 C ATOM 458 CD2 LEU A 31 1.684 -1.380 8.476 1.00 0.00 C ATOM 0 H LEU A 31 -0.184 -0.595 4.089 1.00 0.00 H new ATOM 0 HA LEU A 31 0.502 -3.231 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.833 -0.621 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.450 -1.197 6.957 1.00 0.00 H new ATOM 0 HG LEU A 31 1.020 -3.175 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.434 -2.941 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.509 -3.086 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.116 -1.497 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.422 -1.885 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.062 -0.399 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.757 -1.261 9.037 1.00 0.00 H new ATOM 470 N ALA A 32 -2.571 -2.103 5.290 1.00 0.00 N ATOM 471 CA ALA A 32 -3.946 -2.494 5.583 1.00 0.00 C ATOM 472 C ALA A 32 -4.312 -3.777 4.846 1.00 0.00 C ATOM 473 O ALA A 32 -4.850 -4.714 5.437 1.00 0.00 O ATOM 474 CB ALA A 32 -4.909 -1.372 5.209 1.00 0.00 C ATOM 0 H ALA A 32 -2.475 -1.176 4.876 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.027 -2.680 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.930 -1.679 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.665 -0.477 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.821 -1.157 4.144 1.00 0.00 H new ATOM 480 N MET A 33 -4.015 -3.811 3.551 1.00 0.00 N ATOM 481 CA MET A 33 -4.309 -4.977 2.727 1.00 0.00 C ATOM 482 C MET A 33 -3.371 -6.132 3.064 1.00 0.00 C ATOM 483 O MET A 33 -3.769 -7.296 3.037 1.00 0.00 O ATOM 484 CB MET A 33 -4.189 -4.624 1.243 1.00 0.00 C ATOM 485 CG MET A 33 -2.942 -3.823 0.903 1.00 0.00 C ATOM 486 SD MET A 33 -2.566 -3.838 -0.861 1.00 0.00 S ATOM 487 CE MET A 33 -0.800 -3.543 -0.835 1.00 0.00 C ATOM 0 H MET A 33 -3.570 -3.043 3.049 1.00 0.00 H new ATOM 0 HA MET A 33 -5.332 -5.290 2.937 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.189 -5.544 0.659 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.069 -4.055 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.075 -2.793 1.233 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.093 -4.227 1.455 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.596 -2.527 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.425 -3.671 0.180 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.303 -4.252 -1.497 1.00 0.00 H new ATOM 497 N PHE A 34 -2.122 -5.802 3.380 1.00 0.00 N ATOM 498 CA PHE A 34 -1.127 -6.812 3.720 1.00 0.00 C ATOM 499 C PHE A 34 -1.407 -7.417 5.092 1.00 0.00 C ATOM 500 O PHE A 34 -1.198 -8.611 5.309 1.00 0.00 O ATOM 501 CB PHE A 34 0.276 -6.202 3.698 1.00 0.00 C ATOM 502 CG PHE A 34 0.952 -6.289 2.358 1.00 0.00 C ATOM 503 CD1 PHE A 34 0.251 -6.011 1.195 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.287 -6.648 2.263 1.00 0.00 C ATOM 505 CE1 PHE A 34 0.870 -6.088 -0.038 1.00 0.00 C ATOM 506 CE2 PHE A 34 2.910 -6.728 1.032 1.00 0.00 C ATOM 507 CZ PHE A 34 2.202 -6.448 -0.120 1.00 0.00 C ATOM 0 H PHE A 34 -1.776 -4.843 3.407 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.185 -7.606 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.212 -5.155 3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.894 -6.707 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.790 -5.731 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.846 -6.868 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.314 -5.867 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.951 -7.010 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.688 -6.510 -1.083 1.00 0.00 H new ATOM 517 N GLU A 35 -1.882 -6.588 6.015 1.00 0.00 N ATOM 518 CA GLU A 35 -2.191 -7.045 7.366 1.00 0.00 C ATOM 519 C GLU A 35 -3.244 -8.148 7.338 1.00 0.00 C ATOM 520 O GLU A 35 -3.233 -9.054 8.171 1.00 0.00 O ATOM 521 CB GLU A 35 -2.678 -5.875 8.225 1.00 0.00 C ATOM 522 CG GLU A 35 -1.623 -5.344 9.182 1.00 0.00 C ATOM 523 CD GLU A 35 -2.197 -4.386 10.208 1.00 0.00 C ATOM 524 OE1 GLU A 35 -3.192 -4.751 10.869 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.650 -3.272 10.351 1.00 0.00 O ATOM 0 H GLU A 35 -2.061 -5.597 5.853 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.279 -7.450 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.004 -5.066 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.549 -6.193 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.150 -6.181 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.843 -4.837 8.613 1.00 0.00 H new ATOM 532 N VAL A 36 -4.151 -8.065 6.370 1.00 0.00 N ATOM 533 CA VAL A 36 -5.210 -9.055 6.227 1.00 0.00 C ATOM 534 C VAL A 36 -4.751 -10.225 5.364 1.00 0.00 C ATOM 535 O VAL A 36 -5.183 -11.361 5.558 1.00 0.00 O ATOM 536 CB VAL A 36 -6.476 -8.437 5.607 1.00 0.00 C ATOM 537 CG1 VAL A 36 -7.633 -9.424 5.658 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.840 -7.142 6.313 1.00 0.00 C ATOM 0 H VAL A 36 -4.173 -7.321 5.673 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.446 -9.416 7.228 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.270 -8.208 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.519 -8.969 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.369 -10.323 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.840 -9.688 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.737 -6.721 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.026 -7.343 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.018 -6.432 6.218 1.00 0.00 H new ATOM 548 N MET A 37 -3.872 -9.937 4.410 1.00 0.00 N ATOM 549 CA MET A 37 -3.351 -10.962 3.514 1.00 0.00 C ATOM 550 C MET A 37 -2.264 -11.784 4.200 1.00 0.00 C ATOM 551 O MET A 37 -2.079 -12.962 3.899 1.00 0.00 O ATOM 552 CB MET A 37 -2.793 -10.322 2.242 1.00 0.00 C ATOM 553 CG MET A 37 -3.869 -9.862 1.270 1.00 0.00 C ATOM 554 SD MET A 37 -3.353 -8.443 0.285 1.00 0.00 S ATOM 555 CE MET A 37 -2.397 -9.250 -0.998 1.00 0.00 C ATOM 0 H MET A 37 -3.505 -9.001 4.238 1.00 0.00 H new ATOM 0 HA MET A 37 -4.173 -11.627 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.174 -9.468 2.516 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.143 -11.039 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.129 -10.686 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.770 -9.605 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.009 -8.501 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.566 -9.792 -0.546 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.033 -9.949 -1.541 1.00 0.00 H new ATOM 565 N THR A 38 -1.545 -11.150 5.122 1.00 0.00 N ATOM 566 CA THR A 38 -0.473 -11.821 5.848 1.00 0.00 C ATOM 567 C THR A 38 -0.134 -11.069 7.134 1.00 0.00 C ATOM 568 O THR A 38 -0.863 -10.167 7.547 1.00 0.00 O ATOM 569 CB THR A 38 0.772 -11.940 4.965 1.00 0.00 C ATOM 570 OG1 THR A 38 0.632 -11.166 3.786 1.00 0.00 O ATOM 571 CG2 THR A 38 1.074 -13.363 4.548 1.00 0.00 C ATOM 0 H THR A 38 -1.685 -10.174 5.383 1.00 0.00 H new ATOM 0 HA THR A 38 -0.816 -12.821 6.114 1.00 0.00 H new ATOM 0 HB THR A 38 1.595 -11.574 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.003 -11.660 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.968 -13.377 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.240 -13.975 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.232 -13.763 3.984 1.00 0.00 H new ATOM 579 N ASP A 39 0.975 -11.449 7.763 1.00 0.00 N ATOM 580 CA ASP A 39 1.408 -10.810 9.002 1.00 0.00 C ATOM 581 C ASP A 39 2.805 -10.213 8.852 1.00 0.00 C ATOM 582 O ASP A 39 3.807 -10.918 8.965 1.00 0.00 O ATOM 583 CB ASP A 39 1.391 -11.823 10.151 1.00 0.00 C ATOM 584 CG ASP A 39 0.397 -11.452 11.234 1.00 0.00 C ATOM 585 OD1 ASP A 39 0.555 -10.371 11.840 1.00 0.00 O ATOM 586 OD2 ASP A 39 -0.538 -12.243 11.478 1.00 0.00 O ATOM 0 H ASP A 39 1.589 -12.195 7.436 1.00 0.00 H new ATOM 0 HA ASP A 39 0.714 -10.001 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.145 -12.810 9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.388 -11.892 10.585 1.00 0.00 H new ATOM 591 N THR A 40 2.865 -8.908 8.599 1.00 0.00 N ATOM 592 CA THR A 40 4.142 -8.219 8.435 1.00 0.00 C ATOM 593 C THR A 40 4.869 -8.082 9.768 1.00 0.00 C ATOM 594 O THR A 40 6.088 -7.910 9.804 1.00 0.00 O ATOM 595 CB THR A 40 3.942 -6.839 7.803 1.00 0.00 C ATOM 596 OG1 THR A 40 3.648 -5.868 8.792 1.00 0.00 O ATOM 597 CG2 THR A 40 2.829 -6.796 6.775 1.00 0.00 C ATOM 0 H THR A 40 2.046 -8.308 8.503 1.00 0.00 H new ATOM 0 HA THR A 40 4.756 -8.823 7.768 1.00 0.00 H new ATOM 0 HB THR A 40 4.884 -6.621 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.526 -4.994 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.746 -5.787 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.052 -7.493 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.887 -7.076 7.247 1.00 0.00 H new ATOM 605 N SER A 41 4.120 -8.164 10.865 1.00 0.00 N ATOM 606 CA SER A 41 4.702 -8.055 12.199 1.00 0.00 C ATOM 607 C SER A 41 5.909 -8.982 12.350 1.00 0.00 C ATOM 608 O SER A 41 6.770 -8.760 13.201 1.00 0.00 O ATOM 609 CB SER A 41 3.653 -8.387 13.263 1.00 0.00 C ATOM 610 OG SER A 41 3.152 -7.208 13.869 1.00 0.00 O ATOM 0 H SER A 41 3.110 -8.305 10.856 1.00 0.00 H new ATOM 0 HA SER A 41 5.039 -7.028 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.833 -8.943 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.093 -9.032 14.024 1.00 0.00 H new ATOM 0 HG SER A 41 2.482 -7.446 14.544 1.00 0.00 H new ATOM 616 N LEU A 42 5.965 -10.019 11.517 1.00 0.00 N ATOM 617 CA LEU A 42 7.066 -10.973 11.556 1.00 0.00 C ATOM 618 C LEU A 42 8.004 -10.759 10.373 1.00 0.00 C ATOM 619 O LEU A 42 8.508 -11.717 9.785 1.00 0.00 O ATOM 620 CB LEU A 42 6.530 -12.406 11.544 1.00 0.00 C ATOM 621 CG LEU A 42 5.969 -12.901 12.879 1.00 0.00 C ATOM 622 CD1 LEU A 42 4.451 -12.802 12.892 1.00 0.00 C ATOM 623 CD2 LEU A 42 6.413 -14.332 13.147 1.00 0.00 C ATOM 0 H LEU A 42 5.260 -10.218 10.808 1.00 0.00 H new ATOM 0 HA LEU A 42 7.624 -10.812 12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.747 -12.478 10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.333 -13.075 11.235 1.00 0.00 H new ATOM 0 HG LEU A 42 6.361 -12.265 13.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.071 -13.159 13.849 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.153 -11.764 12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.040 -13.413 12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.005 -14.667 14.100 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.051 -14.981 12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.502 -14.374 13.184 1.00 0.00 H new ATOM 635 N VAL A 43 8.231 -9.496 10.026 1.00 0.00 N ATOM 636 CA VAL A 43 9.106 -9.157 8.912 1.00 0.00 C ATOM 637 C VAL A 43 10.543 -8.954 9.379 1.00 0.00 C ATOM 638 O VAL A 43 10.838 -8.023 10.130 1.00 0.00 O ATOM 639 CB VAL A 43 8.625 -7.882 8.189 1.00 0.00 C ATOM 640 CG1 VAL A 43 8.653 -6.686 9.130 1.00 0.00 C ATOM 641 CG2 VAL A 43 9.468 -7.616 6.951 1.00 0.00 C ATOM 0 H VAL A 43 7.821 -8.692 10.501 1.00 0.00 H new ATOM 0 HA VAL A 43 9.071 -9.996 8.217 1.00 0.00 H new ATOM 0 HB VAL A 43 7.594 -8.038 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.310 -5.798 8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.998 -6.877 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.671 -6.526 9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.112 -6.713 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.510 -7.484 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.387 -8.461 6.267 1.00 0.00 H new ATOM 651 N GLU A 44 11.434 -9.830 8.927 1.00 0.00 N ATOM 652 CA GLU A 44 12.843 -9.748 9.295 1.00 0.00 C ATOM 653 C GLU A 44 13.621 -8.868 8.319 1.00 0.00 C ATOM 654 O GLU A 44 14.798 -8.580 8.537 1.00 0.00 O ATOM 655 CB GLU A 44 13.461 -11.146 9.333 1.00 0.00 C ATOM 656 CG GLU A 44 14.712 -11.235 10.191 1.00 0.00 C ATOM 657 CD GLU A 44 15.888 -11.843 9.450 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.686 -12.853 8.742 1.00 0.00 O ATOM 659 OE2 GLU A 44 17.010 -11.310 9.577 1.00 0.00 O ATOM 0 H GLU A 44 11.205 -10.605 8.305 1.00 0.00 H new ATOM 0 HA GLU A 44 12.903 -9.297 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.721 -11.851 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.705 -11.454 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.982 -10.237 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.498 -11.832 11.077 1.00 0.00 H new ATOM 666 N ALA A 45 12.964 -8.446 7.241 1.00 0.00 N ATOM 667 CA ALA A 45 13.605 -7.608 6.236 1.00 0.00 C ATOM 668 C ALA A 45 14.750 -8.352 5.559 1.00 0.00 C ATOM 669 O ALA A 45 15.831 -8.501 6.130 1.00 0.00 O ATOM 670 CB ALA A 45 14.109 -6.317 6.865 1.00 0.00 C ATOM 0 H ALA A 45 11.989 -8.671 7.043 1.00 0.00 H new ATOM 0 HA ALA A 45 12.864 -7.360 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.585 -5.702 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.271 -5.772 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.833 -6.551 7.646 1.00 0.00 H new ATOM 676 N ALA A 46 14.505 -8.819 4.339 1.00 0.00 N ATOM 677 CA ALA A 46 15.514 -9.549 3.583 1.00 0.00 C ATOM 678 C ALA A 46 15.997 -8.733 2.391 1.00 0.00 C ATOM 679 O ALA A 46 17.066 -8.990 1.839 1.00 0.00 O ATOM 680 CB ALA A 46 14.955 -10.885 3.116 1.00 0.00 C ATOM 0 H ALA A 46 13.615 -8.704 3.853 1.00 0.00 H new ATOM 0 HA ALA A 46 16.366 -9.731 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.718 -11.422 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.659 -11.478 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.087 -10.714 2.480 1.00 0.00 H new ATOM 686 N GLU A 47 15.195 -7.752 1.993 1.00 0.00 N ATOM 687 CA GLU A 47 15.528 -6.903 0.862 1.00 0.00 C ATOM 688 C GLU A 47 14.962 -5.507 1.046 1.00 0.00 C ATOM 689 O GLU A 47 14.154 -5.273 1.936 1.00 0.00 O ATOM 690 CB GLU A 47 14.974 -7.515 -0.421 1.00 0.00 C ATOM 691 CG GLU A 47 13.482 -7.302 -0.623 1.00 0.00 C ATOM 692 CD GLU A 47 13.156 -6.581 -1.917 1.00 0.00 C ATOM 693 OE1 GLU A 47 14.040 -6.507 -2.797 1.00 0.00 O ATOM 694 OE2 GLU A 47 12.016 -6.091 -2.051 1.00 0.00 O ATOM 0 H GLU A 47 14.307 -7.527 2.441 1.00 0.00 H new ATOM 0 HA GLU A 47 16.613 -6.829 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.508 -7.091 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.179 -8.586 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.978 -8.269 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.086 -6.729 0.215 1.00 0.00 H new ATOM 701 N GLU A 48 15.380 -4.590 0.188 1.00 0.00 N ATOM 702 CA GLU A 48 14.887 -3.227 0.245 1.00 0.00 C ATOM 703 C GLU A 48 14.726 -2.653 -1.159 1.00 0.00 C ATOM 704 O GLU A 48 15.677 -2.630 -1.941 1.00 0.00 O ATOM 705 CB GLU A 48 15.818 -2.353 1.086 1.00 0.00 C ATOM 706 CG GLU A 48 15.336 -0.920 1.240 1.00 0.00 C ATOM 707 CD GLU A 48 16.451 0.030 1.631 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.739 0.142 2.842 1.00 0.00 O ATOM 709 OE2 GLU A 48 17.037 0.661 0.727 1.00 0.00 O ATOM 0 H GLU A 48 16.058 -4.766 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 48 13.907 -3.237 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.926 -2.799 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.808 -2.347 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.892 -0.587 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.551 -0.884 1.995 1.00 0.00 H new ATOM 716 N ARG A 49 13.523 -2.190 -1.475 1.00 0.00 N ATOM 717 CA ARG A 49 13.249 -1.616 -2.790 1.00 0.00 C ATOM 718 C ARG A 49 12.769 -0.178 -2.653 1.00 0.00 C ATOM 719 O ARG A 49 12.192 0.195 -1.636 1.00 0.00 O ATOM 720 CB ARG A 49 12.200 -2.449 -3.527 1.00 0.00 C ATOM 721 CG ARG A 49 12.542 -3.927 -3.604 1.00 0.00 C ATOM 722 CD ARG A 49 13.472 -4.229 -4.769 1.00 0.00 C ATOM 723 NE ARG A 49 12.832 -3.988 -6.061 1.00 0.00 N ATOM 724 CZ ARG A 49 12.937 -2.851 -6.748 1.00 0.00 C ATOM 725 NH1 ARG A 49 13.644 -1.835 -6.269 1.00 0.00 N ATOM 726 NH2 ARG A 49 12.328 -2.729 -7.920 1.00 0.00 N ATOM 0 H ARG A 49 12.723 -2.200 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 49 14.174 -1.624 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.239 -2.333 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.083 -2.059 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.012 -4.241 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.626 -4.508 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.367 -3.612 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.796 -5.268 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 49 12.269 -4.738 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.113 -1.920 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.718 -0.969 -6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.781 -3.504 -8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.407 -1.860 -8.448 1.00 0.00 H new ATOM 740 N ARG A 50 13.015 0.627 -3.682 1.00 0.00 N ATOM 741 CA ARG A 50 12.608 2.027 -3.666 1.00 0.00 C ATOM 742 C ARG A 50 11.721 2.357 -4.864 1.00 0.00 C ATOM 743 O ARG A 50 11.936 1.855 -5.968 1.00 0.00 O ATOM 744 CB ARG A 50 13.839 2.937 -3.659 1.00 0.00 C ATOM 745 CG ARG A 50 14.136 3.548 -2.300 1.00 0.00 C ATOM 746 CD ARG A 50 15.584 3.997 -2.195 1.00 0.00 C ATOM 747 NE ARG A 50 16.085 3.915 -0.826 1.00 0.00 N ATOM 748 CZ ARG A 50 17.377 3.966 -0.505 1.00 0.00 C ATOM 749 NH1 ARG A 50 18.298 4.100 -1.451 1.00 0.00 N ATOM 750 NH2 ARG A 50 17.748 3.885 0.766 1.00 0.00 N ATOM 0 H ARG A 50 13.493 0.335 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 50 12.031 2.199 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.706 2.364 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.693 3.738 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.477 4.400 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 50 13.922 2.819 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.203 3.379 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.672 5.023 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 50 15.406 3.813 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 50 18.018 4.165 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 50 19.286 4.138 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.044 3.784 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 50 18.737 3.924 1.012 1.00 0.00 H new ATOM 764 N VAL A 51 10.728 3.208 -4.635 1.00 0.00 N ATOM 765 CA VAL A 51 9.806 3.618 -5.686 1.00 0.00 C ATOM 766 C VAL A 51 9.619 5.131 -5.678 1.00 0.00 C ATOM 767 O VAL A 51 9.686 5.765 -4.627 1.00 0.00 O ATOM 768 CB VAL A 51 8.432 2.940 -5.530 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.554 3.222 -6.738 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.597 1.442 -5.321 1.00 0.00 C ATOM 0 H VAL A 51 10.541 3.629 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 51 10.244 3.308 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 51 7.942 3.356 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.588 2.734 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.407 4.297 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.037 2.837 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.616 0.980 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.109 1.009 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.184 1.263 -4.420 1.00 0.00 H new ATOM 780 N GLU A 52 9.378 5.702 -6.853 1.00 0.00 N ATOM 781 CA GLU A 52 9.173 7.139 -6.978 1.00 0.00 C ATOM 782 C GLU A 52 7.859 7.408 -7.686 1.00 0.00 C ATOM 783 O GLU A 52 7.478 6.678 -8.600 1.00 0.00 O ATOM 784 CB GLU A 52 10.330 7.793 -7.739 1.00 0.00 C ATOM 785 CG GLU A 52 10.940 6.905 -8.810 1.00 0.00 C ATOM 786 CD GLU A 52 11.364 7.682 -10.041 1.00 0.00 C ATOM 787 OE1 GLU A 52 10.577 8.534 -10.504 1.00 0.00 O ATOM 788 OE2 GLU A 52 12.481 7.438 -10.542 1.00 0.00 O ATOM 0 H GLU A 52 9.320 5.190 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 52 9.139 7.574 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.974 8.713 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.107 8.075 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.805 6.386 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.218 6.141 -9.098 1.00 0.00 H new ATOM 795 N ILE A 53 7.155 8.440 -7.251 1.00 0.00 N ATOM 796 CA ILE A 53 5.873 8.763 -7.847 1.00 0.00 C ATOM 797 C ILE A 53 5.668 10.257 -8.018 1.00 0.00 C ATOM 798 O ILE A 53 6.206 11.057 -7.257 1.00 0.00 O ATOM 799 CB ILE A 53 4.707 8.202 -7.018 1.00 0.00 C ATOM 800 CG1 ILE A 53 5.185 7.113 -6.050 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.659 7.659 -7.954 1.00 0.00 C ATOM 802 CD1 ILE A 53 4.059 6.354 -5.379 1.00 0.00 C ATOM 0 H ILE A 53 7.446 9.061 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 53 5.885 8.297 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 53 4.281 9.004 -6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.813 6.407 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.810 7.571 -5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.827 7.258 -7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.299 8.459 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.092 6.866 -8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.476 5.601 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.443 7.048 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.447 5.866 -6.137 1.00 0.00 H new ATOM 814 N THR A 54 4.865 10.622 -9.013 1.00 0.00 N ATOM 815 CA THR A 54 4.564 12.021 -9.270 1.00 0.00 C ATOM 816 C THR A 54 3.057 12.266 -9.193 1.00 0.00 C ATOM 817 O THR A 54 2.292 11.764 -10.014 1.00 0.00 O ATOM 818 CB THR A 54 5.089 12.435 -10.646 1.00 0.00 C ATOM 819 OG1 THR A 54 4.268 11.908 -11.674 1.00 0.00 O ATOM 820 CG2 THR A 54 6.506 11.975 -10.909 1.00 0.00 C ATOM 0 H THR A 54 4.413 9.968 -9.652 1.00 0.00 H new ATOM 0 HA THR A 54 5.058 12.623 -8.508 1.00 0.00 H new ATOM 0 HB THR A 54 5.073 13.525 -10.646 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.520 11.416 -11.275 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.816 12.302 -11.902 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.173 12.404 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.552 10.887 -10.854 1.00 0.00 H new ATOM 828 N SER A 55 2.647 13.049 -8.201 1.00 0.00 N ATOM 829 CA SER A 55 1.241 13.382 -8.005 1.00 0.00 C ATOM 830 C SER A 55 1.040 14.891 -8.071 1.00 0.00 C ATOM 831 O SER A 55 2.000 15.649 -7.972 1.00 0.00 O ATOM 832 CB SER A 55 0.743 12.844 -6.663 1.00 0.00 C ATOM 833 OG SER A 55 -0.648 13.064 -6.511 1.00 0.00 O ATOM 0 H SER A 55 3.275 13.468 -7.515 1.00 0.00 H new ATOM 0 HA SER A 55 0.664 12.915 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.955 11.777 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.282 13.330 -5.850 1.00 0.00 H new ATOM 0 HG SER A 55 -0.796 13.800 -5.881 1.00 0.00 H new ATOM 839 N GLU A 56 -0.202 15.325 -8.239 1.00 0.00 N ATOM 840 CA GLU A 56 -0.495 16.751 -8.312 1.00 0.00 C ATOM 841 C GLU A 56 -1.906 17.052 -7.825 1.00 0.00 C ATOM 842 O GLU A 56 -2.607 17.884 -8.401 1.00 0.00 O ATOM 843 CB GLU A 56 -0.317 17.253 -9.744 1.00 0.00 C ATOM 844 CG GLU A 56 1.002 16.834 -10.364 1.00 0.00 C ATOM 845 CD GLU A 56 1.284 17.543 -11.674 1.00 0.00 C ATOM 846 OE1 GLU A 56 0.396 17.547 -12.551 1.00 0.00 O ATOM 847 OE2 GLU A 56 2.394 18.096 -11.822 1.00 0.00 O ATOM 0 H GLU A 56 -1.016 14.717 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 56 0.206 17.271 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.135 16.877 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.386 18.341 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.810 17.040 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.994 15.757 -10.533 1.00 0.00 H new ATOM 854 N ASP A 57 -2.321 16.374 -6.760 1.00 0.00 N ATOM 855 CA ASP A 57 -3.654 16.583 -6.209 1.00 0.00 C ATOM 856 C ASP A 57 -3.884 15.774 -4.930 1.00 0.00 C ATOM 857 O ASP A 57 -5.029 15.551 -4.537 1.00 0.00 O ATOM 858 CB ASP A 57 -4.706 16.213 -7.254 1.00 0.00 C ATOM 859 CG ASP A 57 -5.923 17.117 -7.198 1.00 0.00 C ATOM 860 OD1 ASP A 57 -5.823 18.274 -7.658 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.973 16.669 -6.693 1.00 0.00 O ATOM 0 H ASP A 57 -1.759 15.681 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.742 17.638 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.262 16.268 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.018 15.180 -7.101 1.00 0.00 H new ATOM 866 N ARG A 58 -2.801 15.347 -4.278 1.00 0.00 N ATOM 867 CA ARG A 58 -2.906 14.572 -3.042 1.00 0.00 C ATOM 868 C ARG A 58 -3.609 13.239 -3.288 1.00 0.00 C ATOM 869 O ARG A 58 -2.988 12.177 -3.221 1.00 0.00 O ATOM 870 CB ARG A 58 -3.659 15.373 -1.976 1.00 0.00 C ATOM 871 CG ARG A 58 -2.745 16.076 -0.986 1.00 0.00 C ATOM 872 CD ARG A 58 -3.511 17.065 -0.122 1.00 0.00 C ATOM 873 NE ARG A 58 -3.694 18.352 -0.792 1.00 0.00 N ATOM 874 CZ ARG A 58 -4.751 18.662 -1.541 1.00 0.00 C ATOM 875 NH1 ARG A 58 -5.728 17.782 -1.726 1.00 0.00 N ATOM 876 NH2 ARG A 58 -4.830 19.857 -2.110 1.00 0.00 N ATOM 0 H ARG A 58 -1.844 15.524 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.896 14.366 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.288 16.115 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.324 14.702 -1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.259 15.336 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.956 16.599 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.485 16.646 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.976 17.217 0.815 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.966 19.057 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.673 16.860 -1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.534 18.028 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.082 20.537 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.639 20.096 -2.684 1.00 0.00 H new ATOM 890 N VAL A 59 -4.907 13.302 -3.573 1.00 0.00 N ATOM 891 CA VAL A 59 -5.698 12.104 -3.830 1.00 0.00 C ATOM 892 C VAL A 59 -5.070 11.255 -4.933 1.00 0.00 C ATOM 893 O VAL A 59 -4.963 10.036 -4.807 1.00 0.00 O ATOM 894 CB VAL A 59 -7.144 12.461 -4.227 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.165 13.271 -5.515 1.00 0.00 C ATOM 896 CG2 VAL A 59 -7.990 11.203 -4.364 1.00 0.00 C ATOM 0 H VAL A 59 -5.434 14.173 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.716 11.531 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.574 13.074 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.195 13.512 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.601 14.193 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.713 12.689 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.007 11.477 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.563 10.559 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.007 10.671 -3.413 1.00 0.00 H new ATOM 906 N SER A 60 -4.653 11.909 -6.013 1.00 0.00 N ATOM 907 CA SER A 60 -4.032 11.211 -7.131 1.00 0.00 C ATOM 908 C SER A 60 -2.800 10.446 -6.664 1.00 0.00 C ATOM 909 O SER A 60 -2.545 9.330 -7.114 1.00 0.00 O ATOM 910 CB SER A 60 -3.651 12.201 -8.234 1.00 0.00 C ATOM 911 OG SER A 60 -3.941 11.672 -9.516 1.00 0.00 O ATOM 0 H SER A 60 -4.734 12.918 -6.137 1.00 0.00 H new ATOM 0 HA SER A 60 -4.752 10.499 -7.534 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.194 13.136 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.589 12.435 -8.166 1.00 0.00 H new ATOM 0 HG SER A 60 -3.690 12.324 -10.203 1.00 0.00 H new ATOM 917 N LEU A 61 -2.046 11.046 -5.746 1.00 0.00 N ATOM 918 CA LEU A 61 -0.851 10.407 -5.212 1.00 0.00 C ATOM 919 C LEU A 61 -1.211 9.054 -4.605 1.00 0.00 C ATOM 920 O LEU A 61 -0.456 8.089 -4.716 1.00 0.00 O ATOM 921 CB LEU A 61 -0.188 11.302 -4.158 1.00 0.00 C ATOM 922 CG LEU A 61 1.329 11.135 -3.998 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.754 11.515 -2.589 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.760 9.709 -4.317 1.00 0.00 C ATOM 0 H LEU A 61 -2.242 11.969 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.143 10.253 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.395 12.342 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.659 11.107 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 61 1.821 11.802 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.832 11.392 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.488 12.554 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.247 10.871 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.839 9.619 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.260 9.017 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.489 9.469 -5.345 1.00 0.00 H new ATOM 936 N LEU A 62 -2.386 8.993 -3.979 1.00 0.00 N ATOM 937 CA LEU A 62 -2.869 7.759 -3.369 1.00 0.00 C ATOM 938 C LEU A 62 -3.279 6.767 -4.450 1.00 0.00 C ATOM 939 O LEU A 62 -2.966 5.579 -4.372 1.00 0.00 O ATOM 940 CB LEU A 62 -4.060 8.048 -2.446 1.00 0.00 C ATOM 941 CG LEU A 62 -4.317 7.013 -1.342 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.969 5.607 -1.816 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.524 7.364 -0.092 1.00 0.00 C ATOM 0 H LEU A 62 -3.020 9.786 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.063 7.327 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.905 9.020 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.958 8.129 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.380 7.033 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.161 4.895 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.581 5.353 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.915 5.567 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.717 6.621 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.460 7.375 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.827 8.348 0.266 1.00 0.00 H new ATOM 955 N TYR A 63 -3.982 7.268 -5.461 1.00 0.00 N ATOM 956 CA TYR A 63 -4.437 6.435 -6.566 1.00 0.00 C ATOM 957 C TYR A 63 -3.252 5.804 -7.288 1.00 0.00 C ATOM 958 O TYR A 63 -3.330 4.671 -7.761 1.00 0.00 O ATOM 959 CB TYR A 63 -5.268 7.265 -7.548 1.00 0.00 C ATOM 960 CG TYR A 63 -5.764 6.477 -8.742 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.832 5.595 -8.621 1.00 0.00 C ATOM 962 CD2 TYR A 63 -5.166 6.617 -9.987 1.00 0.00 C ATOM 963 CE1 TYR A 63 -7.286 4.875 -9.709 1.00 0.00 C ATOM 964 CE2 TYR A 63 -5.615 5.901 -11.079 1.00 0.00 C ATOM 965 CZ TYR A 63 -6.676 5.031 -10.935 1.00 0.00 C ATOM 966 OH TYR A 63 -7.127 4.317 -12.021 1.00 0.00 O ATOM 0 H TYR A 63 -4.249 8.250 -5.537 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.060 5.638 -6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.124 7.686 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.667 8.103 -7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.314 5.471 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.335 7.297 -10.103 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.116 4.192 -9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.138 6.021 -12.041 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.589 4.544 -12.808 1.00 0.00 H new ATOM 976 N ASP A 64 -2.155 6.548 -7.366 1.00 0.00 N ATOM 977 CA ASP A 64 -0.949 6.067 -8.030 1.00 0.00 C ATOM 978 C ASP A 64 -0.060 5.293 -7.059 1.00 0.00 C ATOM 979 O ASP A 64 0.740 4.454 -7.475 1.00 0.00 O ATOM 980 CB ASP A 64 -0.171 7.241 -8.629 1.00 0.00 C ATOM 981 CG ASP A 64 0.313 6.952 -10.037 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.400 6.244 -10.778 1.00 0.00 O ATOM 983 OD2 ASP A 64 1.407 7.437 -10.399 1.00 0.00 O ATOM 0 H ASP A 64 -2.076 7.488 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.251 5.392 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.806 8.127 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.684 7.470 -7.993 1.00 0.00 H new ATOM 988 N TRP A 65 -0.200 5.580 -5.768 1.00 0.00 N ATOM 989 CA TRP A 65 0.599 4.906 -4.750 1.00 0.00 C ATOM 990 C TRP A 65 0.352 3.401 -4.769 1.00 0.00 C ATOM 991 O TRP A 65 1.291 2.609 -4.852 1.00 0.00 O ATOM 992 CB TRP A 65 0.282 5.470 -3.360 1.00 0.00 C ATOM 993 CG TRP A 65 0.835 4.642 -2.235 1.00 0.00 C ATOM 994 CD1 TRP A 65 0.224 4.362 -1.045 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.109 3.986 -2.195 1.00 0.00 C ATOM 996 NE1 TRP A 65 1.040 3.575 -0.269 1.00 0.00 N ATOM 997 CE2 TRP A 65 2.201 3.330 -0.952 1.00 0.00 C ATOM 998 CE3 TRP A 65 3.181 3.888 -3.089 1.00 0.00 C ATOM 999 CZ2 TRP A 65 3.322 2.588 -0.583 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.290 3.151 -2.720 1.00 0.00 C ATOM 1001 CH2 TRP A 65 4.354 2.509 -1.477 1.00 0.00 C ATOM 0 H TRP A 65 -0.856 6.271 -5.403 1.00 0.00 H new ATOM 0 HA TRP A 65 1.650 5.086 -4.975 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.683 6.481 -3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.799 5.547 -3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -0.757 4.709 -0.757 1.00 0.00 H new ATOM 0 HE1 TRP A 65 0.817 3.229 0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.142 4.379 -4.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 3.374 2.093 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.123 3.069 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.235 1.940 -1.219 1.00 0.00 H new ATOM 1012 N LEU A 66 -0.915 3.014 -4.687 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.279 1.605 -4.688 1.00 0.00 C ATOM 1014 C LEU A 66 -1.109 0.993 -6.074 1.00 0.00 C ATOM 1015 O LEU A 66 -0.617 -0.126 -6.206 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.717 1.429 -4.196 1.00 0.00 C ATOM 1017 CG LEU A 66 -2.882 0.452 -3.030 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.308 0.485 -2.505 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.502 -0.957 -3.459 1.00 0.00 C ATOM 0 H LEU A 66 -1.705 3.655 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.608 1.081 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.104 2.402 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.331 1.086 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.213 0.758 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.407 -0.216 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.545 1.491 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.996 0.203 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.625 -1.639 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.145 -1.273 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.463 -0.970 -3.787 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.503 1.734 -7.107 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.370 1.248 -8.476 1.00 0.00 C ATOM 1033 C ASP A 67 0.055 0.764 -8.717 1.00 0.00 C ATOM 1034 O ASP A 67 0.286 -0.191 -9.459 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.730 2.349 -9.475 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.409 1.803 -10.716 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.915 0.798 -11.270 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -3.434 2.381 -11.134 1.00 0.00 O ATOM 0 H ASP A 67 -1.913 2.664 -7.023 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.059 0.416 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.387 3.073 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.825 2.883 -9.764 1.00 0.00 H new ATOM 1043 N GLU A 68 1.004 1.424 -8.060 1.00 0.00 N ATOM 1044 CA GLU A 68 2.407 1.061 -8.170 1.00 0.00 C ATOM 1045 C GLU A 68 2.644 -0.287 -7.504 1.00 0.00 C ATOM 1046 O GLU A 68 3.449 -1.095 -7.968 1.00 0.00 O ATOM 1047 CB GLU A 68 3.280 2.132 -7.512 1.00 0.00 C ATOM 1048 CG GLU A 68 4.458 2.570 -8.367 1.00 0.00 C ATOM 1049 CD GLU A 68 4.049 3.507 -9.487 1.00 0.00 C ATOM 1050 OE1 GLU A 68 3.523 4.599 -9.185 1.00 0.00 O ATOM 1051 OE2 GLU A 68 4.255 3.148 -10.665 1.00 0.00 O ATOM 0 H GLU A 68 0.822 2.216 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 68 2.674 0.989 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.664 3.002 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.654 1.750 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.196 3.065 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.941 1.690 -8.792 1.00 0.00 H new ATOM 1058 N LEU A 69 1.922 -0.520 -6.413 1.00 0.00 N ATOM 1059 CA LEU A 69 2.027 -1.767 -5.671 1.00 0.00 C ATOM 1060 C LEU A 69 1.402 -2.914 -6.461 1.00 0.00 C ATOM 1061 O LEU A 69 1.834 -4.061 -6.362 1.00 0.00 O ATOM 1062 CB LEU A 69 1.342 -1.632 -4.307 1.00 0.00 C ATOM 1063 CG LEU A 69 2.241 -1.914 -3.102 1.00 0.00 C ATOM 1064 CD1 LEU A 69 1.909 -0.973 -1.955 1.00 0.00 C ATOM 1065 CD2 LEU A 69 2.103 -3.364 -2.663 1.00 0.00 C ATOM 0 H LEU A 69 1.254 0.145 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 69 3.083 -1.987 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.944 -0.622 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.492 -2.314 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 69 3.276 -1.741 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.559 -1.189 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.061 0.058 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.869 -1.112 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.749 -3.547 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.068 -3.564 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.393 -4.021 -3.483 1.00 0.00 H new ATOM 1077 N LEU A 70 0.375 -2.589 -7.239 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.327 -3.581 -8.046 1.00 0.00 C ATOM 1079 C LEU A 70 0.623 -4.314 -8.993 1.00 0.00 C ATOM 1080 O LEU A 70 0.621 -5.543 -9.058 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.446 -2.908 -8.848 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.827 -3.548 -8.696 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.833 -4.950 -9.284 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.240 -3.580 -7.233 1.00 0.00 C ATOM 0 H LEU A 70 0.009 -1.641 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.756 -4.318 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.511 -1.863 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.172 -2.917 -9.903 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.549 -2.943 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.824 -5.389 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.581 -4.901 -10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.099 -5.566 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.225 -4.038 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.515 -4.162 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.276 -2.563 -6.843 1.00 0.00 H new ATOM 1096 N PHE A 71 1.419 -3.553 -9.738 1.00 0.00 N ATOM 1097 CA PHE A 71 2.359 -4.135 -10.695 1.00 0.00 C ATOM 1098 C PHE A 71 3.524 -4.832 -9.996 1.00 0.00 C ATOM 1099 O PHE A 71 3.826 -5.991 -10.280 1.00 0.00 O ATOM 1100 CB PHE A 71 2.891 -3.050 -11.634 1.00 0.00 C ATOM 1101 CG PHE A 71 2.927 -3.468 -13.076 1.00 0.00 C ATOM 1102 CD1 PHE A 71 1.772 -3.881 -13.720 1.00 0.00 C ATOM 1103 CD2 PHE A 71 4.116 -3.447 -13.788 1.00 0.00 C ATOM 1104 CE1 PHE A 71 1.801 -4.266 -15.047 1.00 0.00 C ATOM 1105 CE2 PHE A 71 4.152 -3.830 -15.115 1.00 0.00 C ATOM 1106 CZ PHE A 71 2.993 -4.240 -15.745 1.00 0.00 C ATOM 0 H PHE A 71 1.433 -2.534 -9.699 1.00 0.00 H new ATOM 0 HA PHE A 71 1.819 -4.886 -11.271 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.268 -2.161 -11.538 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.897 -2.771 -11.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.838 -3.902 -13.179 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.025 -3.128 -13.300 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.894 -4.587 -15.537 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.085 -3.809 -15.659 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.019 -4.540 -16.782 1.00 0.00 H new ATOM 1116 N ILE A 72 4.181 -4.118 -9.086 1.00 0.00 N ATOM 1117 CA ILE A 72 5.318 -4.670 -8.356 1.00 0.00 C ATOM 1118 C ILE A 72 4.962 -5.985 -7.666 1.00 0.00 C ATOM 1119 O ILE A 72 5.801 -6.876 -7.541 1.00 0.00 O ATOM 1120 CB ILE A 72 5.862 -3.676 -7.310 1.00 0.00 C ATOM 1121 CG1 ILE A 72 7.197 -4.171 -6.749 1.00 0.00 C ATOM 1122 CG2 ILE A 72 4.855 -3.471 -6.190 1.00 0.00 C ATOM 1123 CD1 ILE A 72 8.402 -3.539 -7.412 1.00 0.00 C ATOM 0 H ILE A 72 3.946 -3.157 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 72 6.094 -4.860 -9.097 1.00 0.00 H new ATOM 0 HB ILE A 72 6.027 -2.716 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.231 -3.965 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.253 -5.253 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.258 -2.766 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.927 -3.075 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.657 -4.424 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.313 -3.936 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.392 -3.766 -8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.370 -2.459 -7.271 1.00 0.00 H new ATOM 1135 N HIS A 73 3.715 -6.098 -7.210 1.00 0.00 N ATOM 1136 CA HIS A 73 3.260 -7.303 -6.520 1.00 0.00 C ATOM 1137 C HIS A 73 3.609 -8.557 -7.315 1.00 0.00 C ATOM 1138 O HIS A 73 4.227 -9.478 -6.785 1.00 0.00 O ATOM 1139 CB HIS A 73 1.749 -7.244 -6.285 1.00 0.00 C ATOM 1140 CG HIS A 73 1.319 -7.880 -5.000 1.00 0.00 C ATOM 1141 ND1 HIS A 73 1.039 -7.157 -3.859 1.00 0.00 N ATOM 1142 CD2 HIS A 73 1.120 -9.180 -4.678 1.00 0.00 C ATOM 1143 CE1 HIS A 73 0.688 -7.986 -2.891 1.00 0.00 C ATOM 1144 NE2 HIS A 73 0.729 -9.217 -3.362 1.00 0.00 N ATOM 0 H HIS A 73 3.005 -5.372 -7.306 1.00 0.00 H new ATOM 0 HA HIS A 73 3.772 -7.350 -5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.429 -6.202 -6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.241 -7.738 -7.113 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.245 -10.029 -5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.414 -7.703 -1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.506 -10.061 -2.834 1.00 0.00 H new ATOM 1153 N ASP A 74 3.226 -8.588 -8.585 1.00 0.00 N ATOM 1154 CA ASP A 74 3.525 -9.737 -9.430 1.00 0.00 C ATOM 1155 C ASP A 74 5.000 -9.758 -9.787 1.00 0.00 C ATOM 1156 O ASP A 74 5.591 -10.824 -9.956 1.00 0.00 O ATOM 1157 CB ASP A 74 2.667 -9.721 -10.696 1.00 0.00 C ATOM 1158 CG ASP A 74 2.389 -11.116 -11.224 1.00 0.00 C ATOM 1159 OD1 ASP A 74 1.993 -11.985 -10.420 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.566 -11.337 -12.440 1.00 0.00 O ATOM 0 H ASP A 74 2.713 -7.839 -9.049 1.00 0.00 H new ATOM 0 HA ASP A 74 3.288 -10.643 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.722 -9.220 -10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.172 -9.138 -11.466 1.00 0.00 H new ATOM 1165 N THR A 75 5.602 -8.578 -9.867 1.00 0.00 N ATOM 1166 CA THR A 75 7.020 -8.490 -10.164 1.00 0.00 C ATOM 1167 C THR A 75 7.807 -9.136 -9.032 1.00 0.00 C ATOM 1168 O THR A 75 8.965 -9.519 -9.199 1.00 0.00 O ATOM 1169 CB THR A 75 7.446 -7.032 -10.348 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.714 -6.426 -11.397 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.918 -6.873 -10.664 1.00 0.00 C ATOM 0 H THR A 75 5.135 -7.681 -9.732 1.00 0.00 H new ATOM 0 HA THR A 75 7.224 -9.017 -11.096 1.00 0.00 H new ATOM 0 HB THR A 75 7.242 -6.549 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.789 -6.281 -11.109 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.153 -5.815 -10.782 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.512 -7.288 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.151 -7.402 -11.588 1.00 0.00 H new ATOM 1179 N GLU A 76 7.149 -9.272 -7.883 1.00 0.00 N ATOM 1180 CA GLU A 76 7.756 -9.893 -6.724 1.00 0.00 C ATOM 1181 C GLU A 76 6.705 -10.227 -5.682 1.00 0.00 C ATOM 1182 O GLU A 76 6.645 -9.612 -4.618 1.00 0.00 O ATOM 1183 CB GLU A 76 8.839 -8.993 -6.126 1.00 0.00 C ATOM 1184 CG GLU A 76 10.245 -9.348 -6.585 1.00 0.00 C ATOM 1185 CD GLU A 76 10.963 -8.175 -7.227 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.831 -7.046 -6.712 1.00 0.00 O ATOM 1187 OE2 GLU A 76 11.658 -8.388 -8.243 1.00 0.00 O ATOM 0 H GLU A 76 6.190 -8.956 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 76 8.227 -10.822 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.629 -7.958 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.793 -9.056 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.824 -9.700 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.194 -10.172 -7.297 1.00 0.00 H new ATOM 1194 N PHE A 77 5.879 -11.218 -6.005 1.00 0.00 N ATOM 1195 CA PHE A 77 4.822 -11.660 -5.105 1.00 0.00 C ATOM 1196 C PHE A 77 5.374 -11.896 -3.708 1.00 0.00 C ATOM 1197 O PHE A 77 5.856 -12.979 -3.397 1.00 0.00 O ATOM 1198 CB PHE A 77 4.169 -12.939 -5.637 1.00 0.00 C ATOM 1199 CG PHE A 77 2.676 -12.840 -5.768 1.00 0.00 C ATOM 1200 CD1 PHE A 77 1.856 -13.039 -4.669 1.00 0.00 C ATOM 1201 CD2 PHE A 77 2.093 -12.548 -6.991 1.00 0.00 C ATOM 1202 CE1 PHE A 77 0.482 -12.949 -4.787 1.00 0.00 C ATOM 1203 CE2 PHE A 77 0.720 -12.456 -7.115 1.00 0.00 C ATOM 1204 CZ PHE A 77 -0.087 -12.658 -6.012 1.00 0.00 C ATOM 0 H PHE A 77 5.923 -11.730 -6.886 1.00 0.00 H new ATOM 0 HA PHE A 77 4.066 -10.876 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.596 -13.177 -6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.413 -13.766 -4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.296 -13.267 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.719 -12.391 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.146 -13.106 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.278 -12.226 -8.073 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.161 -12.589 -6.107 1.00 0.00 H new ATOM 1214 N ILE A 78 5.308 -10.867 -2.876 1.00 0.00 N ATOM 1215 CA ILE A 78 5.814 -10.956 -1.514 1.00 0.00 C ATOM 1216 C ILE A 78 4.677 -10.893 -0.500 1.00 0.00 C ATOM 1217 O ILE A 78 3.874 -9.960 -0.497 1.00 0.00 O ATOM 1218 CB ILE A 78 6.826 -9.830 -1.221 1.00 0.00 C ATOM 1219 CG1 ILE A 78 6.217 -8.461 -1.536 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.098 -10.044 -2.028 1.00 0.00 C ATOM 1221 CD1 ILE A 78 6.586 -7.391 -0.533 1.00 0.00 C ATOM 0 H ILE A 78 4.909 -9.961 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 78 6.319 -11.918 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 78 7.076 -9.857 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.543 -8.147 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.132 -8.555 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.805 -9.243 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.543 -11.002 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.859 -10.041 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.120 -6.448 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.235 -7.684 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.669 -7.269 -0.513 1.00 0.00 H new ATOM 1233 N LEU A 79 4.611 -11.913 0.350 1.00 0.00 N ATOM 1234 CA LEU A 79 3.566 -12.006 1.372 1.00 0.00 C ATOM 1235 C LEU A 79 3.445 -10.709 2.171 1.00 0.00 C ATOM 1236 O LEU A 79 2.585 -9.875 1.887 1.00 0.00 O ATOM 1237 CB LEU A 79 3.811 -13.192 2.327 1.00 0.00 C ATOM 1238 CG LEU A 79 5.130 -13.955 2.144 1.00 0.00 C ATOM 1239 CD1 LEU A 79 6.318 -13.068 2.482 1.00 0.00 C ATOM 1240 CD2 LEU A 79 5.140 -15.210 3.006 1.00 0.00 C ATOM 0 H LEU A 79 5.270 -12.691 0.353 1.00 0.00 H new ATOM 0 HA LEU A 79 2.627 -12.176 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.771 -12.820 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.989 -13.899 2.212 1.00 0.00 H new ATOM 0 HG LEU A 79 5.213 -14.250 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.242 -13.630 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.321 -12.198 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.243 -12.739 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.082 -15.740 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.033 -14.932 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.312 -15.857 2.716 1.00 0.00 H new ATOM 1252 N PHE A 80 4.297 -10.551 3.179 1.00 0.00 N ATOM 1253 CA PHE A 80 4.266 -9.361 4.022 1.00 0.00 C ATOM 1254 C PHE A 80 5.605 -8.634 4.009 1.00 0.00 C ATOM 1255 O PHE A 80 6.665 -9.258 3.993 1.00 0.00 O ATOM 1256 CB PHE A 80 3.902 -9.748 5.452 1.00 0.00 C ATOM 1257 CG PHE A 80 4.765 -10.842 6.015 1.00 0.00 C ATOM 1258 CD1 PHE A 80 6.013 -10.556 6.546 1.00 0.00 C ATOM 1259 CD2 PHE A 80 4.329 -12.158 6.012 1.00 0.00 C ATOM 1260 CE1 PHE A 80 6.808 -11.560 7.062 1.00 0.00 C ATOM 1261 CE2 PHE A 80 5.121 -13.166 6.527 1.00 0.00 C ATOM 1262 CZ PHE A 80 6.362 -12.867 7.053 1.00 0.00 C ATOM 0 H PHE A 80 5.015 -11.230 3.431 1.00 0.00 H new ATOM 0 HA PHE A 80 3.511 -8.685 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.983 -8.868 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.860 -10.067 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.368 -9.536 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.359 -12.398 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.778 -11.323 7.473 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.770 -14.187 6.518 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.983 -13.653 7.457 1.00 0.00 H new ATOM 1272 N SER A 81 5.546 -7.306 4.016 1.00 0.00 N ATOM 1273 CA SER A 81 6.749 -6.483 4.005 1.00 0.00 C ATOM 1274 C SER A 81 6.486 -5.118 4.633 1.00 0.00 C ATOM 1275 O SER A 81 5.337 -4.692 4.756 1.00 0.00 O ATOM 1276 CB SER A 81 7.250 -6.304 2.575 1.00 0.00 C ATOM 1277 OG SER A 81 8.052 -7.400 2.171 1.00 0.00 O ATOM 0 H SER A 81 4.675 -6.776 4.029 1.00 0.00 H new ATOM 0 HA SER A 81 7.511 -6.993 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.401 -6.203 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.827 -5.382 2.502 1.00 0.00 H new ATOM 0 HG SER A 81 7.975 -8.122 2.830 1.00 0.00 H new ATOM 1283 N LYS A 82 7.557 -4.431 5.017 1.00 0.00 N ATOM 1284 CA LYS A 82 7.439 -3.107 5.618 1.00 0.00 C ATOM 1285 C LYS A 82 7.278 -2.053 4.528 1.00 0.00 C ATOM 1286 O LYS A 82 7.849 -2.180 3.444 1.00 0.00 O ATOM 1287 CB LYS A 82 8.668 -2.796 6.476 1.00 0.00 C ATOM 1288 CG LYS A 82 8.329 -2.184 7.826 1.00 0.00 C ATOM 1289 CD LYS A 82 8.271 -0.667 7.750 1.00 0.00 C ATOM 1290 CE LYS A 82 9.615 -0.041 8.087 1.00 0.00 C ATOM 1291 NZ LYS A 82 9.695 0.369 9.516 1.00 0.00 N ATOM 0 H LYS A 82 8.515 -4.768 4.923 1.00 0.00 H new ATOM 0 HA LYS A 82 6.558 -3.092 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.232 -3.715 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.319 -2.113 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.369 -2.569 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.076 -2.484 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.968 -0.363 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.512 -0.296 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.412 -0.752 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.780 0.828 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.627 0.791 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.951 1.067 9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.563 -0.464 10.124 1.00 0.00 H new ATOM 1305 N PHE A 83 6.485 -1.024 4.806 1.00 0.00 N ATOM 1306 CA PHE A 83 6.244 0.030 3.826 1.00 0.00 C ATOM 1307 C PHE A 83 6.574 1.412 4.377 1.00 0.00 C ATOM 1308 O PHE A 83 6.024 1.845 5.389 1.00 0.00 O ATOM 1309 CB PHE A 83 4.787 -0.006 3.361 1.00 0.00 C ATOM 1310 CG PHE A 83 4.502 -1.103 2.373 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.836 -0.952 1.037 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.900 -2.282 2.782 1.00 0.00 C ATOM 1313 CE1 PHE A 83 4.574 -1.958 0.127 1.00 0.00 C ATOM 1314 CE2 PHE A 83 3.636 -3.292 1.876 1.00 0.00 C ATOM 1315 CZ PHE A 83 3.975 -3.129 0.546 1.00 0.00 C ATOM 0 H PHE A 83 6.001 -0.897 5.695 1.00 0.00 H new ATOM 0 HA PHE A 83 6.906 -0.157 2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.140 -0.132 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.533 0.954 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.306 -0.039 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.634 -2.413 3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.838 -1.828 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.166 -4.206 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.772 -3.917 -0.164 1.00 0.00 H new ATOM 1325 N LYS A 84 7.462 2.103 3.675 1.00 0.00 N ATOM 1326 CA LYS A 84 7.868 3.449 4.044 1.00 0.00 C ATOM 1327 C LYS A 84 7.685 4.370 2.841 1.00 0.00 C ATOM 1328 O LYS A 84 8.328 4.187 1.812 1.00 0.00 O ATOM 1329 CB LYS A 84 9.325 3.453 4.541 1.00 0.00 C ATOM 1330 CG LYS A 84 10.275 4.309 3.714 1.00 0.00 C ATOM 1331 CD LYS A 84 11.640 4.433 4.376 1.00 0.00 C ATOM 1332 CE LYS A 84 12.255 3.071 4.654 1.00 0.00 C ATOM 1333 NZ LYS A 84 13.722 3.061 4.395 1.00 0.00 N ATOM 0 H LYS A 84 7.919 1.746 2.836 1.00 0.00 H new ATOM 0 HA LYS A 84 7.246 3.813 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.342 3.807 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.695 2.428 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.390 3.871 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.845 5.301 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.306 5.009 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.543 4.986 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.067 2.793 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.771 2.320 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.104 2.115 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.900 3.302 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.188 3.760 5.009 1.00 0.00 H new ATOM 1347 N VAL A 85 6.792 5.342 2.965 1.00 0.00 N ATOM 1348 CA VAL A 85 6.520 6.260 1.866 1.00 0.00 C ATOM 1349 C VAL A 85 7.039 7.656 2.173 1.00 0.00 C ATOM 1350 O VAL A 85 7.122 8.070 3.329 1.00 0.00 O ATOM 1351 CB VAL A 85 5.010 6.306 1.480 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.249 5.117 2.045 1.00 0.00 C ATOM 1353 CG2 VAL A 85 4.345 7.597 1.926 1.00 0.00 C ATOM 0 H VAL A 85 6.246 5.515 3.809 1.00 0.00 H new ATOM 0 HA VAL A 85 7.058 5.872 1.001 1.00 0.00 H new ATOM 0 HB VAL A 85 4.974 6.260 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.201 5.185 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.675 4.193 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.325 5.120 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.294 7.584 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.421 7.690 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.842 8.444 1.453 1.00 0.00 H new ATOM 1363 N LYS A 86 7.416 8.355 1.117 1.00 0.00 N ATOM 1364 CA LYS A 86 7.964 9.695 1.225 1.00 0.00 C ATOM 1365 C LYS A 86 7.215 10.658 0.311 1.00 0.00 C ATOM 1366 O LYS A 86 7.211 10.483 -0.898 1.00 0.00 O ATOM 1367 CB LYS A 86 9.439 9.647 0.819 1.00 0.00 C ATOM 1368 CG LYS A 86 10.317 10.631 1.575 1.00 0.00 C ATOM 1369 CD LYS A 86 11.376 11.241 0.672 1.00 0.00 C ATOM 1370 CE LYS A 86 12.499 11.875 1.479 1.00 0.00 C ATOM 1371 NZ LYS A 86 13.474 10.861 1.967 1.00 0.00 N ATOM 0 H LYS A 86 7.351 8.009 0.160 1.00 0.00 H new ATOM 0 HA LYS A 86 7.860 10.048 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.818 8.638 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.519 9.850 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.698 11.422 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.799 10.123 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.786 10.471 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.918 11.993 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.018 12.610 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.077 12.411 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.223 11.334 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.985 10.173 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.896 10.367 1.155 1.00 0.00 H new ATOM 1385 N ILE A 87 6.591 11.683 0.879 1.00 0.00 N ATOM 1386 CA ILE A 87 5.863 12.654 0.067 1.00 0.00 C ATOM 1387 C ILE A 87 6.580 13.998 0.049 1.00 0.00 C ATOM 1388 O ILE A 87 6.862 14.575 1.100 1.00 0.00 O ATOM 1389 CB ILE A 87 4.418 12.857 0.563 1.00 0.00 C ATOM 1390 CG1 ILE A 87 3.781 11.513 0.935 1.00 0.00 C ATOM 1391 CG2 ILE A 87 3.602 13.553 -0.512 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.318 11.614 1.323 1.00 0.00 C ATOM 0 H ILE A 87 6.573 11.863 1.883 1.00 0.00 H new ATOM 0 HA ILE A 87 5.826 12.247 -0.943 1.00 0.00 H new ATOM 0 HB ILE A 87 4.435 13.481 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.877 10.830 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.337 11.075 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.581 13.695 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.047 14.523 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.592 12.941 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.938 10.623 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.215 12.270 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.748 12.021 0.488 1.00 0.00 H new ATOM 1404 N ASP A 88 6.888 14.489 -1.152 1.00 0.00 N ATOM 1405 CA ASP A 88 7.586 15.756 -1.293 1.00 0.00 C ATOM 1406 C ASP A 88 6.932 16.647 -2.344 1.00 0.00 C ATOM 1407 O ASP A 88 6.803 16.262 -3.505 1.00 0.00 O ATOM 1408 CB ASP A 88 9.043 15.503 -1.681 1.00 0.00 C ATOM 1409 CG ASP A 88 9.832 14.844 -0.567 1.00 0.00 C ATOM 1410 OD1 ASP A 88 9.450 13.732 -0.146 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.832 15.441 -0.115 1.00 0.00 O ATOM 0 H ASP A 88 6.664 14.027 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 88 7.536 16.270 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.075 14.871 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.515 16.449 -1.946 1.00 0.00 H new ATOM 1416 N GLU A 89 6.556 17.856 -1.938 1.00 0.00 N ATOM 1417 CA GLU A 89 5.958 18.813 -2.858 1.00 0.00 C ATOM 1418 C GLU A 89 7.053 19.420 -3.708 1.00 0.00 C ATOM 1419 O GLU A 89 7.941 20.111 -3.207 1.00 0.00 O ATOM 1420 CB GLU A 89 5.211 19.906 -2.090 1.00 0.00 C ATOM 1421 CG GLU A 89 3.873 19.450 -1.532 1.00 0.00 C ATOM 1422 CD GLU A 89 2.854 20.572 -1.473 1.00 0.00 C ATOM 1423 OE1 GLU A 89 3.246 21.714 -1.154 1.00 0.00 O ATOM 1424 OE2 GLU A 89 1.664 20.308 -1.746 1.00 0.00 O ATOM 0 H GLU A 89 6.655 18.194 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 89 5.237 18.302 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.838 20.255 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.049 20.757 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.482 18.641 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.020 19.044 -0.531 1.00 0.00 H new ATOM 1431 N LYS A 90 6.995 19.137 -4.997 1.00 0.00 N ATOM 1432 CA LYS A 90 7.992 19.630 -5.923 1.00 0.00 C ATOM 1433 C LYS A 90 7.781 21.100 -6.205 1.00 0.00 C ATOM 1434 O LYS A 90 7.003 21.767 -5.522 1.00 0.00 O ATOM 1435 CB LYS A 90 7.957 18.819 -7.224 1.00 0.00 C ATOM 1436 CG LYS A 90 8.486 17.401 -7.072 1.00 0.00 C ATOM 1437 CD LYS A 90 9.721 17.360 -6.186 1.00 0.00 C ATOM 1438 CE LYS A 90 10.750 16.367 -6.704 1.00 0.00 C ATOM 1439 NZ LYS A 90 11.535 16.924 -7.841 1.00 0.00 N ATOM 0 H LYS A 90 6.265 18.567 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 90 8.975 19.511 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.931 18.778 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.544 19.338 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.710 16.765 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.728 16.994 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.167 18.354 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.432 17.089 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.427 16.091 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.246 15.455 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.225 16.217 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.892 17.164 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.037 17.780 -7.530 1.00 0.00 H new ATOM 1453 N ASP A 91 8.493 21.611 -7.195 1.00 0.00 N ATOM 1454 CA ASP A 91 8.399 23.013 -7.552 1.00 0.00 C ATOM 1455 C ASP A 91 6.962 23.437 -7.888 1.00 0.00 C ATOM 1456 O ASP A 91 6.734 24.571 -8.312 1.00 0.00 O ATOM 1457 CB ASP A 91 9.318 23.316 -8.736 1.00 0.00 C ATOM 1458 CG ASP A 91 10.571 24.062 -8.321 1.00 0.00 C ATOM 1459 OD1 ASP A 91 11.448 23.442 -7.683 1.00 0.00 O ATOM 1460 OD2 ASP A 91 10.674 25.267 -8.634 1.00 0.00 O ATOM 0 H ASP A 91 9.144 21.072 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 91 8.714 23.588 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.599 22.382 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.774 23.907 -9.472 1.00 0.00 H new ATOM 1465 N ASP A 92 5.992 22.537 -7.702 1.00 0.00 N ATOM 1466 CA ASP A 92 4.595 22.847 -7.993 1.00 0.00 C ATOM 1467 C ASP A 92 3.742 21.588 -7.899 1.00 0.00 C ATOM 1468 O ASP A 92 2.575 21.644 -7.507 1.00 0.00 O ATOM 1469 CB ASP A 92 4.460 23.469 -9.387 1.00 0.00 C ATOM 1470 CG ASP A 92 3.906 24.880 -9.339 1.00 0.00 C ATOM 1471 OD1 ASP A 92 4.403 25.685 -8.523 1.00 0.00 O ATOM 1472 OD2 ASP A 92 2.975 25.180 -10.116 1.00 0.00 O ATOM 0 H ASP A 92 6.151 21.592 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 92 4.243 23.567 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.436 23.481 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.807 22.846 -9.998 1.00 0.00 H new ATOM 1477 N GLY A 93 4.332 20.455 -8.263 1.00 0.00 N ATOM 1478 CA GLY A 93 3.615 19.198 -8.214 1.00 0.00 C ATOM 1479 C GLY A 93 3.923 18.398 -6.971 1.00 0.00 C ATOM 1480 O GLY A 93 4.242 18.959 -5.923 1.00 0.00 O ATOM 0 H GLY A 93 5.295 20.386 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.544 19.394 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.868 18.606 -9.094 1.00 0.00 H new ATOM 1484 N LEU A 94 3.811 17.083 -7.085 1.00 0.00 N ATOM 1485 CA LEU A 94 4.062 16.200 -5.961 1.00 0.00 C ATOM 1486 C LEU A 94 4.898 14.992 -6.366 1.00 0.00 C ATOM 1487 O LEU A 94 4.623 14.345 -7.372 1.00 0.00 O ATOM 1488 CB LEU A 94 2.735 15.735 -5.362 1.00 0.00 C ATOM 1489 CG LEU A 94 2.633 15.901 -3.850 1.00 0.00 C ATOM 1490 CD1 LEU A 94 1.374 16.663 -3.470 1.00 0.00 C ATOM 1491 CD2 LEU A 94 2.669 14.547 -3.159 1.00 0.00 C ATOM 0 H LEU A 94 3.547 16.605 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 94 4.627 16.761 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.924 16.291 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.587 14.684 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 94 3.493 16.481 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.325 16.768 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.394 17.651 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.498 16.117 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.595 14.687 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.832 13.940 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.606 14.042 -3.396 1.00 0.00 H new ATOM 1503 N HIS A 95 5.908 14.686 -5.562 1.00 0.00 N ATOM 1504 CA HIS A 95 6.773 13.541 -5.816 1.00 0.00 C ATOM 1505 C HIS A 95 6.846 12.660 -4.576 1.00 0.00 C ATOM 1506 O HIS A 95 7.247 13.116 -3.504 1.00 0.00 O ATOM 1507 CB HIS A 95 8.173 14.000 -6.228 1.00 0.00 C ATOM 1508 CG HIS A 95 8.423 13.905 -7.701 1.00 0.00 C ATOM 1509 ND1 HIS A 95 7.919 14.811 -8.611 1.00 0.00 N ATOM 1510 CD2 HIS A 95 9.126 13.001 -8.425 1.00 0.00 C ATOM 1511 CE1 HIS A 95 8.300 14.468 -9.829 1.00 0.00 C ATOM 1512 NE2 HIS A 95 9.034 13.374 -9.742 1.00 0.00 N ATOM 0 H HIS A 95 6.149 15.217 -4.725 1.00 0.00 H new ATOM 0 HA HIS A 95 6.351 12.962 -6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.317 15.032 -5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.914 13.398 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.660 12.146 -8.037 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.053 14.993 -10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.463 12.885 -10.527 1.00 0.00 H new ATOM 1521 N LEU A 96 6.441 11.404 -4.718 1.00 0.00 N ATOM 1522 CA LEU A 96 6.448 10.478 -3.594 1.00 0.00 C ATOM 1523 C LEU A 96 7.525 9.410 -3.747 1.00 0.00 C ATOM 1524 O LEU A 96 7.744 8.879 -4.834 1.00 0.00 O ATOM 1525 CB LEU A 96 5.076 9.817 -3.452 1.00 0.00 C ATOM 1526 CG LEU A 96 4.924 8.873 -2.256 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.505 8.919 -1.717 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.284 7.452 -2.649 1.00 0.00 C ATOM 0 H LEU A 96 6.106 11.006 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 96 6.673 11.051 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.321 10.599 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.864 9.258 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 96 5.607 9.204 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.416 8.242 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.270 9.934 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.809 8.614 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.170 6.796 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.624 7.117 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.317 7.421 -2.994 1.00 0.00 H new ATOM 1540 N THR A 97 8.179 9.089 -2.638 1.00 0.00 N ATOM 1541 CA THR A 97 9.220 8.070 -2.621 1.00 0.00 C ATOM 1542 C THR A 97 8.868 6.989 -1.603 1.00 0.00 C ATOM 1543 O THR A 97 8.730 7.263 -0.417 1.00 0.00 O ATOM 1544 CB THR A 97 10.574 8.688 -2.274 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.489 10.102 -2.239 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.670 8.318 -3.249 1.00 0.00 C ATOM 0 H THR A 97 8.005 9.524 -1.732 1.00 0.00 H new ATOM 0 HA THR A 97 9.287 7.625 -3.614 1.00 0.00 H new ATOM 0 HB THR A 97 10.830 8.284 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.390 10.482 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.604 8.790 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.797 7.236 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.400 8.661 -4.248 1.00 0.00 H new ATOM 1554 N GLY A 98 8.718 5.767 -2.080 1.00 0.00 N ATOM 1555 CA GLY A 98 8.364 4.662 -1.203 1.00 0.00 C ATOM 1556 C GLY A 98 9.412 3.566 -1.163 1.00 0.00 C ATOM 1557 O GLY A 98 10.110 3.322 -2.146 1.00 0.00 O ATOM 0 H GLY A 98 8.834 5.514 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.209 5.044 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.416 4.236 -1.532 1.00 0.00 H new ATOM 1561 N THR A 99 9.521 2.909 -0.011 1.00 0.00 N ATOM 1562 CA THR A 99 10.490 1.837 0.181 1.00 0.00 C ATOM 1563 C THR A 99 9.827 0.589 0.759 1.00 0.00 C ATOM 1564 O THR A 99 8.943 0.687 1.609 1.00 0.00 O ATOM 1565 CB THR A 99 11.599 2.300 1.123 1.00 0.00 C ATOM 1566 OG1 THR A 99 11.971 3.638 0.844 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.848 1.448 1.046 1.00 0.00 C ATOM 0 H THR A 99 8.945 3.103 0.808 1.00 0.00 H new ATOM 0 HA THR A 99 10.910 1.587 -0.793 1.00 0.00 H new ATOM 0 HB THR A 99 11.180 2.209 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.681 3.915 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.594 1.833 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.603 0.419 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.247 1.478 0.032 1.00 0.00 H new ATOM 1575 N ALA A 100 10.267 -0.585 0.308 1.00 0.00 N ATOM 1576 CA ALA A 100 9.714 -1.839 0.807 1.00 0.00 C ATOM 1577 C ALA A 100 10.815 -2.858 1.097 1.00 0.00 C ATOM 1578 O ALA A 100 11.698 -3.091 0.272 1.00 0.00 O ATOM 1579 CB ALA A 100 8.716 -2.408 -0.192 1.00 0.00 C ATOM 0 H ALA A 100 10.998 -0.692 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 100 9.199 -1.629 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.310 -3.344 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.905 -1.695 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.217 -2.593 -1.142 1.00 0.00 H new ATOM 1585 N MET A 101 10.744 -3.464 2.279 1.00 0.00 N ATOM 1586 CA MET A 101 11.717 -4.468 2.706 1.00 0.00 C ATOM 1587 C MET A 101 11.010 -5.698 3.259 1.00 0.00 C ATOM 1588 O MET A 101 9.866 -5.619 3.706 1.00 0.00 O ATOM 1589 CB MET A 101 12.661 -3.887 3.760 1.00 0.00 C ATOM 1590 CG MET A 101 11.950 -3.391 5.007 1.00 0.00 C ATOM 1591 SD MET A 101 13.033 -2.445 6.095 1.00 0.00 S ATOM 1592 CE MET A 101 12.636 -3.169 7.685 1.00 0.00 C ATOM 0 H MET A 101 10.014 -3.275 2.966 1.00 0.00 H new ATOM 0 HA MET A 101 12.304 -4.764 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.387 -4.649 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.221 -3.062 3.319 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.103 -2.770 4.715 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.547 -4.243 5.554 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.265 -2.394 8.355 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.870 -3.933 7.556 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.531 -3.621 8.113 1.00 0.00 H new ATOM 1602 N GLY A 102 11.690 -6.837 3.216 1.00 0.00 N ATOM 1603 CA GLY A 102 11.095 -8.066 3.710 1.00 0.00 C ATOM 1604 C GLY A 102 10.372 -8.803 2.611 1.00 0.00 C ATOM 1605 O GLY A 102 9.332 -9.421 2.835 1.00 0.00 O ATOM 0 H GLY A 102 12.637 -6.933 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.871 -8.705 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.399 -7.837 4.517 1.00 0.00 H new ATOM 1609 N GLU A 103 10.924 -8.711 1.409 1.00 0.00 N ATOM 1610 CA GLU A 103 10.338 -9.343 0.242 1.00 0.00 C ATOM 1611 C GLU A 103 10.952 -10.720 -0.011 1.00 0.00 C ATOM 1612 O GLU A 103 12.144 -10.841 -0.295 1.00 0.00 O ATOM 1613 CB GLU A 103 10.518 -8.415 -0.967 1.00 0.00 C ATOM 1614 CG GLU A 103 11.094 -9.088 -2.208 1.00 0.00 C ATOM 1615 CD GLU A 103 10.999 -8.214 -3.444 1.00 0.00 C ATOM 1616 OE1 GLU A 103 10.027 -7.439 -3.550 1.00 0.00 O ATOM 1617 OE2 GLU A 103 11.899 -8.305 -4.305 1.00 0.00 O ATOM 0 H GLU A 103 11.785 -8.199 1.219 1.00 0.00 H new ATOM 0 HA GLU A 103 9.274 -9.504 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.551 -7.981 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.172 -7.591 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.138 -9.342 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.565 -10.024 -2.388 1.00 0.00 H new ATOM 1624 N GLU A 104 10.119 -11.753 0.091 1.00 0.00 N ATOM 1625 CA GLU A 104 10.556 -13.128 -0.126 1.00 0.00 C ATOM 1626 C GLU A 104 9.387 -14.091 0.053 1.00 0.00 C ATOM 1627 O GLU A 104 9.032 -14.447 1.176 1.00 0.00 O ATOM 1628 CB GLU A 104 11.685 -13.491 0.843 1.00 0.00 C ATOM 1629 CG GLU A 104 12.284 -14.865 0.592 1.00 0.00 C ATOM 1630 CD GLU A 104 11.476 -15.978 1.228 1.00 0.00 C ATOM 1631 OE1 GLU A 104 11.402 -16.021 2.475 1.00 0.00 O ATOM 1632 OE2 GLU A 104 10.916 -16.807 0.481 1.00 0.00 O ATOM 0 H GLU A 104 9.130 -11.661 0.324 1.00 0.00 H new ATOM 0 HA GLU A 104 10.929 -13.212 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.473 -12.741 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.304 -13.451 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.351 -15.038 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.301 -14.891 0.983 1.00 0.00 H new ATOM 1639 N ILE A 105 8.786 -14.503 -1.059 1.00 0.00 N ATOM 1640 CA ILE A 105 7.651 -15.418 -1.014 1.00 0.00 C ATOM 1641 C ILE A 105 8.095 -16.830 -0.638 1.00 0.00 C ATOM 1642 O ILE A 105 9.042 -17.367 -1.212 1.00 0.00 O ATOM 1643 CB ILE A 105 6.896 -15.452 -2.365 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.443 -15.881 -2.148 1.00 0.00 C ATOM 1645 CG2 ILE A 105 7.584 -16.385 -3.353 1.00 0.00 C ATOM 1646 CD1 ILE A 105 4.654 -14.925 -1.281 1.00 0.00 C ATOM 0 H ILE A 105 9.065 -14.219 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 105 6.973 -15.045 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 105 6.908 -14.447 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.951 -15.971 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.429 -16.870 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.033 -16.390 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.602 -16.039 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.610 -17.394 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.634 -15.292 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.122 -14.853 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.637 -13.940 -1.748 1.00 0.00 H new ATOM 1658 N LYS A 106 7.404 -17.423 0.329 1.00 0.00 N ATOM 1659 CA LYS A 106 7.726 -18.772 0.783 1.00 0.00 C ATOM 1660 C LYS A 106 6.618 -19.750 0.407 1.00 0.00 C ATOM 1661 O LYS A 106 5.468 -19.356 0.211 1.00 0.00 O ATOM 1662 CB LYS A 106 7.944 -18.783 2.298 1.00 0.00 C ATOM 1663 CG LYS A 106 9.409 -18.740 2.701 1.00 0.00 C ATOM 1664 CD LYS A 106 9.972 -20.137 2.906 1.00 0.00 C ATOM 1665 CE LYS A 106 11.469 -20.177 2.644 1.00 0.00 C ATOM 1666 NZ LYS A 106 11.790 -19.866 1.225 1.00 0.00 N ATOM 0 H LYS A 106 6.617 -16.991 0.814 1.00 0.00 H new ATOM 0 HA LYS A 106 8.645 -19.087 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.430 -17.928 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.487 -19.680 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.984 -18.224 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.518 -18.164 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.771 -20.466 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.466 -20.836 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.971 -19.462 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.856 -21.164 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.726 -20.252 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.072 -20.293 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.796 -18.835 1.088 1.00 0.00 H new ATOM 1680 N GLU A 107 6.971 -21.028 0.310 1.00 0.00 N ATOM 1681 CA GLU A 107 6.008 -22.064 -0.040 1.00 0.00 C ATOM 1682 C GLU A 107 4.843 -22.079 0.946 1.00 0.00 C ATOM 1683 O GLU A 107 3.718 -22.428 0.588 1.00 0.00 O ATOM 1684 CB GLU A 107 6.690 -23.435 -0.067 1.00 0.00 C ATOM 1685 CG GLU A 107 6.783 -24.042 -1.457 1.00 0.00 C ATOM 1686 CD GLU A 107 5.556 -24.855 -1.821 1.00 0.00 C ATOM 1687 OE1 GLU A 107 5.467 -26.022 -1.383 1.00 0.00 O ATOM 1688 OE2 GLU A 107 4.687 -24.328 -2.546 1.00 0.00 O ATOM 0 H GLU A 107 7.919 -21.370 0.469 1.00 0.00 H new ATOM 0 HA GLU A 107 5.616 -21.842 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.694 -23.340 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.141 -24.117 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.917 -23.246 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.666 -24.679 -1.513 1.00 0.00 H new ATOM 1695 N GLY A 108 5.122 -21.698 2.188 1.00 0.00 N ATOM 1696 CA GLY A 108 4.091 -21.673 3.207 1.00 0.00 C ATOM 1697 C GLY A 108 3.815 -20.272 3.716 1.00 0.00 C ATOM 1698 O GLY A 108 3.943 -20.001 4.910 1.00 0.00 O ATOM 0 H GLY A 108 6.046 -21.406 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.172 -22.097 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.393 -22.307 4.041 1.00 0.00 H new ATOM 1702 N HIS A 109 3.433 -19.379 2.808 1.00 0.00 N ATOM 1703 CA HIS A 109 3.138 -17.997 3.171 1.00 0.00 C ATOM 1704 C HIS A 109 2.011 -17.936 4.198 1.00 0.00 C ATOM 1705 O HIS A 109 1.058 -18.713 4.137 1.00 0.00 O ATOM 1706 CB HIS A 109 2.760 -17.192 1.924 1.00 0.00 C ATOM 1707 CG HIS A 109 1.654 -17.808 1.126 1.00 0.00 C ATOM 1708 ND1 HIS A 109 1.857 -18.836 0.229 1.00 0.00 N ATOM 1709 CD2 HIS A 109 0.327 -17.539 1.093 1.00 0.00 C ATOM 1710 CE1 HIS A 109 0.703 -19.171 -0.322 1.00 0.00 C ATOM 1711 NE2 HIS A 109 -0.239 -18.399 0.185 1.00 0.00 N ATOM 0 H HIS A 109 3.321 -19.588 1.816 1.00 0.00 H new ATOM 0 HA HIS A 109 4.032 -17.561 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 109 2.463 -16.188 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.640 -17.087 1.289 1.00 0.00 H new ATOM 0 HD1 HIS A 109 2.757 -19.270 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.189 -16.788 1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 109 0.556 -19.945 -1.061 1.00 0.00 H new ATOM 1720 N GLU A 110 2.131 -17.012 5.149 1.00 0.00 N ATOM 1721 CA GLU A 110 1.126 -16.855 6.197 1.00 0.00 C ATOM 1722 C GLU A 110 -0.255 -16.583 5.602 1.00 0.00 C ATOM 1723 O GLU A 110 -0.453 -15.602 4.887 1.00 0.00 O ATOM 1724 CB GLU A 110 1.522 -15.721 7.147 1.00 0.00 C ATOM 1725 CG GLU A 110 1.747 -16.179 8.578 1.00 0.00 C ATOM 1726 CD GLU A 110 3.029 -16.972 8.741 1.00 0.00 C ATOM 1727 OE1 GLU A 110 2.985 -18.210 8.584 1.00 0.00 O ATOM 1728 OE2 GLU A 110 4.077 -16.356 9.026 1.00 0.00 O ATOM 0 H GLU A 110 2.914 -16.361 5.215 1.00 0.00 H new ATOM 0 HA GLU A 110 1.076 -17.789 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.433 -15.250 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.742 -14.960 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.776 -15.309 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.903 -16.790 8.897 1.00 0.00 H new ATOM 1735 N ARG A 111 -1.207 -17.460 5.908 1.00 0.00 N ATOM 1736 CA ARG A 111 -2.571 -17.314 5.409 1.00 0.00 C ATOM 1737 C ARG A 111 -3.520 -16.915 6.534 1.00 0.00 C ATOM 1738 O ARG A 111 -3.914 -17.747 7.351 1.00 0.00 O ATOM 1739 CB ARG A 111 -3.044 -18.620 4.767 1.00 0.00 C ATOM 1740 CG ARG A 111 -2.072 -19.180 3.740 1.00 0.00 C ATOM 1741 CD ARG A 111 -2.624 -19.069 2.327 1.00 0.00 C ATOM 1742 NE ARG A 111 -3.757 -19.964 2.109 1.00 0.00 N ATOM 1743 CZ ARG A 111 -4.617 -19.839 1.100 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -4.476 -18.860 0.216 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -5.620 -20.699 0.975 1.00 0.00 N ATOM 0 H ARG A 111 -1.059 -18.278 6.499 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.574 -16.525 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.202 -19.363 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.009 -18.451 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.125 -18.644 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.863 -20.225 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.933 -18.041 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.836 -19.301 1.611 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.898 -20.730 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.706 -18.198 0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.138 -18.770 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.731 -21.454 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.280 -20.605 0.203 1.00 0.00 H new ATOM 1759 N ARG A 112 -3.881 -15.637 6.572 1.00 0.00 N ATOM 1760 CA ARG A 112 -4.785 -15.128 7.600 1.00 0.00 C ATOM 1761 C ARG A 112 -6.223 -15.098 7.093 1.00 0.00 C ATOM 1762 O ARG A 112 -7.052 -15.913 7.498 1.00 0.00 O ATOM 1763 CB ARG A 112 -4.353 -13.726 8.040 1.00 0.00 C ATOM 1764 CG ARG A 112 -4.266 -13.563 9.548 1.00 0.00 C ATOM 1765 CD ARG A 112 -3.373 -12.394 9.930 1.00 0.00 C ATOM 1766 NE ARG A 112 -3.691 -11.873 11.258 1.00 0.00 N ATOM 1767 CZ ARG A 112 -3.321 -10.670 11.691 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -2.624 -9.860 10.904 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -3.649 -10.275 12.913 1.00 0.00 N ATOM 0 H ARG A 112 -3.563 -14.935 5.904 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.737 -15.799 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.381 -13.500 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.059 -12.996 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.265 -13.408 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.878 -14.479 9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.330 -12.711 9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.482 -11.599 9.193 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.228 -12.466 11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.369 -10.158 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.343 -8.939 11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.185 -10.893 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.365 -9.353 13.244 1.00 0.00 H new ATOM 1783 N ASP A 113 -6.512 -14.154 6.203 1.00 0.00 N ATOM 1784 CA ASP A 113 -7.849 -14.018 5.637 1.00 0.00 C ATOM 1785 C ASP A 113 -7.842 -14.349 4.149 1.00 0.00 C ATOM 1786 O ASP A 113 -6.797 -14.307 3.500 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.374 -12.599 5.855 1.00 0.00 C ATOM 1788 CG ASP A 113 -8.981 -12.410 7.232 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -8.266 -12.636 8.231 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -10.171 -12.039 7.311 1.00 0.00 O ATOM 0 H ASP A 113 -5.837 -13.471 5.858 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.508 -14.722 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.558 -11.889 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -9.123 -12.372 5.097 1.00 0.00 H new ATOM 1795 N GLU A 114 -9.012 -14.681 3.613 1.00 0.00 N ATOM 1796 CA GLU A 114 -9.131 -15.022 2.201 1.00 0.00 C ATOM 1797 C GLU A 114 -9.391 -13.779 1.356 1.00 0.00 C ATOM 1798 O GLU A 114 -10.506 -13.256 1.325 1.00 0.00 O ATOM 1799 CB GLU A 114 -10.257 -16.039 1.996 1.00 0.00 C ATOM 1800 CG GLU A 114 -9.759 -17.451 1.733 1.00 0.00 C ATOM 1801 CD GLU A 114 -10.819 -18.337 1.109 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -11.598 -18.955 1.866 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -10.871 -18.415 -0.137 1.00 0.00 O ATOM 0 H GLU A 114 -9.888 -14.721 4.134 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.187 -15.462 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.895 -16.046 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.877 -15.719 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.892 -17.409 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.426 -17.895 2.671 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.354 -13.314 0.667 1.00 0.00 N ATOM 1811 CA VAL A 115 -8.464 -12.138 -0.186 1.00 0.00 C ATOM 1812 C VAL A 115 -8.335 -12.524 -1.652 1.00 0.00 C ATOM 1813 O VAL A 115 -7.260 -12.902 -2.116 1.00 0.00 O ATOM 1814 CB VAL A 115 -7.390 -11.087 0.157 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -7.628 -9.801 -0.622 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -7.366 -10.816 1.654 1.00 0.00 C ATOM 0 H VAL A 115 -7.425 -13.736 0.684 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.447 -11.703 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.417 -11.483 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.859 -9.072 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.587 -10.010 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.609 -9.398 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.602 -10.072 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.340 -10.443 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.140 -11.739 2.187 1.00 0.00 H new ATOM 1826 N LYS A 116 -9.443 -12.432 -2.376 1.00 0.00 N ATOM 1827 CA LYS A 116 -9.460 -12.777 -3.787 1.00 0.00 C ATOM 1828 C LYS A 116 -8.590 -11.825 -4.602 1.00 0.00 C ATOM 1829 O LYS A 116 -8.083 -12.199 -5.659 1.00 0.00 O ATOM 1830 CB LYS A 116 -10.897 -12.767 -4.317 1.00 0.00 C ATOM 1831 CG LYS A 116 -11.420 -14.148 -4.679 1.00 0.00 C ATOM 1832 CD LYS A 116 -11.250 -14.438 -6.161 1.00 0.00 C ATOM 1833 CE LYS A 116 -12.232 -15.496 -6.637 1.00 0.00 C ATOM 1834 NZ LYS A 116 -11.723 -16.875 -6.398 1.00 0.00 N ATOM 0 H LYS A 116 -10.341 -12.121 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.048 -13.781 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.550 -12.326 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.947 -12.126 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -10.891 -14.902 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.474 -14.220 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -11.397 -13.521 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.231 -14.773 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.184 -15.366 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.425 -15.360 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.422 -17.567 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.828 -17.008 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.563 -17.014 -5.380 1.00 0.00 H new ATOM 1848 N ALA A 117 -8.416 -10.592 -4.116 1.00 0.00 N ATOM 1849 CA ALA A 117 -7.601 -9.612 -4.827 1.00 0.00 C ATOM 1850 C ALA A 117 -7.726 -8.230 -4.203 1.00 0.00 C ATOM 1851 O ALA A 117 -8.335 -8.066 -3.148 1.00 0.00 O ATOM 1852 CB ALA A 117 -7.998 -9.558 -6.298 1.00 0.00 C ATOM 0 H ALA A 117 -8.824 -10.255 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.560 -9.927 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.381 -8.823 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.850 -10.538 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.047 -9.274 -6.382 1.00 0.00 H new ATOM 1858 N VAL A 118 -7.144 -7.241 -4.867 1.00 0.00 N ATOM 1859 CA VAL A 118 -7.191 -5.867 -4.392 1.00 0.00 C ATOM 1860 C VAL A 118 -7.904 -4.974 -5.402 1.00 0.00 C ATOM 1861 O VAL A 118 -7.412 -4.762 -6.511 1.00 0.00 O ATOM 1862 CB VAL A 118 -5.777 -5.316 -4.136 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -5.210 -5.877 -2.839 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -4.867 -5.643 -5.308 1.00 0.00 C ATOM 0 H VAL A 118 -6.632 -7.367 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.743 -5.866 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.837 -4.232 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.210 -5.476 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.855 -5.594 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -5.159 -6.964 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -3.869 -5.248 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.811 -6.724 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.267 -5.192 -6.216 1.00 0.00 H new ATOM 1874 N THR A 119 -9.068 -4.460 -5.022 1.00 0.00 N ATOM 1875 CA THR A 119 -9.843 -3.601 -5.909 1.00 0.00 C ATOM 1876 C THR A 119 -9.956 -2.182 -5.358 1.00 0.00 C ATOM 1877 O THR A 119 -10.725 -1.925 -4.432 1.00 0.00 O ATOM 1878 CB THR A 119 -11.238 -4.188 -6.127 1.00 0.00 C ATOM 1879 OG1 THR A 119 -11.152 -5.512 -6.622 1.00 0.00 O ATOM 1880 CG2 THR A 119 -12.080 -3.388 -7.097 1.00 0.00 C ATOM 0 H THR A 119 -9.494 -4.622 -4.110 1.00 0.00 H new ATOM 0 HA THR A 119 -9.318 -3.551 -6.863 1.00 0.00 H new ATOM 0 HB THR A 119 -11.718 -4.162 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 119 -11.668 -6.112 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.057 -3.860 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 119 -12.207 -2.374 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 119 -11.584 -3.354 -8.067 1.00 0.00 H new ATOM 1888 N PHE A 120 -9.191 -1.265 -5.950 1.00 0.00 N ATOM 1889 CA PHE A 120 -9.197 0.145 -5.546 1.00 0.00 C ATOM 1890 C PHE A 120 -10.604 0.617 -5.176 1.00 0.00 C ATOM 1891 O PHE A 120 -11.412 0.924 -6.053 1.00 0.00 O ATOM 1892 CB PHE A 120 -8.645 1.024 -6.678 1.00 0.00 C ATOM 1893 CG PHE A 120 -8.854 0.469 -8.064 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -10.010 -0.226 -8.390 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -7.888 0.649 -9.044 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -10.197 -0.731 -9.664 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -8.071 0.146 -10.319 1.00 0.00 C ATOM 1898 CZ PHE A 120 -9.226 -0.544 -10.629 1.00 0.00 C ATOM 0 H PHE A 120 -8.553 -1.474 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.561 0.237 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.115 2.006 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.577 1.172 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.773 -0.374 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.983 1.188 -8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.101 -1.271 -9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.311 0.293 -11.072 1.00 0.00 H new ATOM 0 HZ PHE A 120 -9.370 -0.937 -11.625 1.00 0.00 H new ATOM 1908 N HIS A 121 -10.891 0.695 -3.876 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.205 1.157 -3.425 1.00 0.00 C ATOM 1910 C HIS A 121 -12.476 2.518 -4.036 1.00 0.00 C ATOM 1911 O HIS A 121 -13.596 2.861 -4.414 1.00 0.00 O ATOM 1912 CB HIS A 121 -12.264 1.302 -1.902 1.00 0.00 C ATOM 1913 CG HIS A 121 -13.606 1.740 -1.401 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -13.785 2.398 -0.204 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -14.840 1.613 -1.945 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -15.069 2.657 -0.032 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -15.730 2.191 -1.075 1.00 0.00 N ATOM 0 H HIS A 121 -10.244 0.449 -3.127 1.00 0.00 H new ATOM 0 HA HIS A 121 -12.946 0.420 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.006 0.348 -1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -11.511 2.023 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -15.079 1.144 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -15.504 3.164 0.817 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -16.739 2.251 -1.212 1.00 0.00 H new ATOM 1926 N MET A 122 -11.397 3.275 -4.104 1.00 0.00 N ATOM 1927 CA MET A 122 -11.378 4.619 -4.635 1.00 0.00 C ATOM 1928 C MET A 122 -9.959 5.153 -4.502 1.00 0.00 C ATOM 1929 O MET A 122 -9.482 5.913 -5.344 1.00 0.00 O ATOM 1930 CB MET A 122 -12.368 5.519 -3.890 1.00 0.00 C ATOM 1931 CG MET A 122 -13.405 6.161 -4.798 1.00 0.00 C ATOM 1932 SD MET A 122 -12.709 7.454 -5.842 1.00 0.00 S ATOM 1933 CE MET A 122 -13.161 6.857 -7.470 1.00 0.00 C ATOM 0 H MET A 122 -10.483 2.959 -3.780 1.00 0.00 H new ATOM 0 HA MET A 122 -11.681 4.609 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.879 4.931 -3.127 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.815 6.303 -3.372 1.00 0.00 H new ATOM 0 HG2 MET A 122 -13.855 5.394 -5.428 1.00 0.00 H new ATOM 0 HG3 MET A 122 -14.204 6.583 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.798 7.553 -8.226 1.00 0.00 H new ATOM 0 HE2 MET A 122 -12.714 5.877 -7.635 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.246 6.778 -7.540 1.00 0.00 H new ATOM 1943 N MET A 123 -9.277 4.721 -3.430 1.00 0.00 N ATOM 1944 CA MET A 123 -7.906 5.123 -3.181 1.00 0.00 C ATOM 1945 C MET A 123 -7.796 6.636 -3.182 1.00 0.00 C ATOM 1946 O MET A 123 -7.016 7.221 -3.934 1.00 0.00 O ATOM 1947 CB MET A 123 -6.980 4.506 -4.233 1.00 0.00 C ATOM 1948 CG MET A 123 -7.290 3.050 -4.539 1.00 0.00 C ATOM 1949 SD MET A 123 -5.803 2.064 -4.800 1.00 0.00 S ATOM 1950 CE MET A 123 -5.363 2.546 -6.468 1.00 0.00 C ATOM 0 H MET A 123 -9.664 4.092 -2.727 1.00 0.00 H new ATOM 0 HA MET A 123 -7.600 4.761 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.053 5.085 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 123 -5.949 4.584 -3.888 1.00 0.00 H new ATOM 0 HG2 MET A 123 -7.864 2.624 -3.716 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.918 2.995 -5.428 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.568 1.722 -7.151 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.951 3.416 -6.762 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.302 2.795 -6.507 1.00 0.00 H new ATOM 1960 N GLU A 124 -8.594 7.261 -2.328 1.00 0.00 N ATOM 1961 CA GLU A 124 -8.604 8.709 -2.214 1.00 0.00 C ATOM 1962 C GLU A 124 -8.172 9.126 -0.821 1.00 0.00 C ATOM 1963 O GLU A 124 -8.627 8.560 0.173 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.998 9.259 -2.519 1.00 0.00 C ATOM 1965 CG GLU A 124 -10.412 9.094 -3.971 1.00 0.00 C ATOM 1966 CD GLU A 124 -11.512 10.056 -4.377 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -12.578 10.047 -3.726 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -11.306 10.818 -5.345 1.00 0.00 O ATOM 0 H GLU A 124 -9.244 6.785 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.902 9.120 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.726 8.755 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -10.027 10.317 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -9.544 9.249 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -10.751 8.071 -4.134 1.00 0.00 H new ATOM 1975 N ILE A 125 -7.291 10.110 -0.748 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.810 10.580 0.536 1.00 0.00 C ATOM 1977 C ILE A 125 -7.593 11.800 0.996 1.00 0.00 C ATOM 1978 O ILE A 125 -7.492 12.876 0.409 1.00 0.00 O ATOM 1979 CB ILE A 125 -5.309 10.928 0.477 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.808 11.382 1.850 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -5.057 12.000 -0.571 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -3.345 11.763 1.859 1.00 0.00 C ATOM 0 H ILE A 125 -6.899 10.594 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.956 9.771 1.251 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.755 10.033 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.400 12.235 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.972 10.581 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.993 12.236 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.376 11.636 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.620 12.898 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.056 12.075 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.744 10.905 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.179 12.584 1.162 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.365 11.623 2.060 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.160 12.714 2.612 1.00 0.00 C ATOM 1996 C LEU A 126 -8.518 13.238 3.891 1.00 0.00 C ATOM 1997 O LEU A 126 -8.076 12.457 4.732 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.587 12.245 2.898 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.446 11.986 1.659 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -11.560 13.246 0.816 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -10.865 10.845 0.839 1.00 0.00 C ATOM 0 H LEU A 126 -8.458 10.737 2.557 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.198 13.519 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.541 11.329 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.083 12.995 3.514 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.446 11.701 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -12.175 13.043 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.021 14.038 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.567 13.562 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.488 10.674 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.854 11.103 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.835 9.940 1.445 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.463 14.558 4.038 1.00 0.00 N ATOM 2014 CA ASP A 127 -7.861 15.150 5.226 1.00 0.00 C ATOM 2015 C ASP A 127 -8.924 15.730 6.155 1.00 0.00 C ATOM 2016 O ASP A 127 -9.695 16.608 5.768 1.00 0.00 O ATOM 2017 CB ASP A 127 -6.869 16.243 4.826 1.00 0.00 C ATOM 2018 CG ASP A 127 -7.529 17.368 4.051 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -8.150 17.084 3.007 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -7.423 18.533 4.491 1.00 0.00 O ATOM 0 H ASP A 127 -8.823 15.229 3.360 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.333 14.361 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.400 16.649 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.075 15.805 4.221 1.00 0.00 H new ATOM 2025 N GLU A 128 -8.946 15.239 7.391 1.00 0.00 N ATOM 2026 CA GLU A 128 -9.893 15.708 8.395 1.00 0.00 C ATOM 2027 C GLU A 128 -9.157 16.180 9.647 1.00 0.00 C ATOM 2028 O GLU A 128 -8.345 15.444 10.205 1.00 0.00 O ATOM 2029 CB GLU A 128 -10.882 14.596 8.753 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.327 15.062 8.806 1.00 0.00 C ATOM 2031 CD GLU A 128 -13.035 14.923 7.472 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -13.018 13.810 6.905 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -13.604 15.926 6.994 1.00 0.00 O ATOM 0 H GLU A 128 -8.313 14.511 7.722 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.446 16.550 7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -10.794 13.793 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.609 14.176 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.863 14.485 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.357 16.105 9.122 1.00 0.00 H new ATOM 2040 N ASP A 129 -9.440 17.401 10.091 1.00 0.00 N ATOM 2041 CA ASP A 129 -8.788 17.936 11.286 1.00 0.00 C ATOM 2042 C ASP A 129 -7.273 17.943 11.127 1.00 0.00 C ATOM 2043 O ASP A 129 -6.534 17.948 12.113 1.00 0.00 O ATOM 2044 CB ASP A 129 -9.153 17.083 12.496 1.00 0.00 C ATOM 2045 CG ASP A 129 -10.631 17.142 12.827 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -11.180 18.262 12.897 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -11.240 16.068 13.017 1.00 0.00 O ATOM 0 H ASP A 129 -10.107 18.033 9.649 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.132 18.960 11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.868 16.048 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.578 17.418 13.359 1.00 0.00 H new ATOM 2052 N GLY A 130 -6.817 17.914 9.887 1.00 0.00 N ATOM 2053 CA GLY A 130 -5.394 17.888 9.617 1.00 0.00 C ATOM 2054 C GLY A 130 -4.868 16.467 9.514 1.00 0.00 C ATOM 2055 O GLY A 130 -3.679 16.248 9.285 1.00 0.00 O ATOM 0 H GLY A 130 -7.409 17.908 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.190 18.420 8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.863 18.416 10.409 1.00 0.00 H new ATOM 2059 N LEU A 131 -5.770 15.499 9.672 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.419 14.089 9.585 1.00 0.00 C ATOM 2061 C LEU A 131 -5.763 13.554 8.202 1.00 0.00 C ATOM 2062 O LEU A 131 -6.740 13.983 7.597 1.00 0.00 O ATOM 2063 CB LEU A 131 -6.161 13.288 10.659 1.00 0.00 C ATOM 2064 CG LEU A 131 -5.381 13.068 11.953 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -6.320 13.064 13.151 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.600 11.767 11.882 1.00 0.00 C ATOM 0 H LEU A 131 -6.757 15.672 9.862 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.347 13.983 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -7.092 13.803 10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.431 12.316 10.245 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.676 13.890 12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -5.745 12.906 14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -6.838 14.021 13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -7.050 12.262 13.039 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.048 11.623 12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.290 10.936 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.900 11.808 11.047 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.958 12.627 7.704 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.182 12.056 6.388 1.00 0.00 C ATOM 2080 C ILE A 132 -5.848 10.701 6.468 1.00 0.00 C ATOM 2081 O ILE A 132 -5.539 9.900 7.344 1.00 0.00 O ATOM 2082 CB ILE A 132 -3.870 11.854 5.612 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.888 10.985 6.409 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.239 13.190 5.242 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.172 11.705 7.532 1.00 0.00 C ATOM 0 H ILE A 132 -4.144 12.255 8.193 1.00 0.00 H new ATOM 0 HA ILE A 132 -5.823 12.773 5.874 1.00 0.00 H new ATOM 0 HB ILE A 132 -4.108 11.330 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.431 10.138 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.144 10.580 5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.313 13.016 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -3.929 13.758 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -3.023 13.754 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.500 11.012 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.596 12.535 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.904 12.087 8.244 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.733 10.432 5.521 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.393 9.147 5.465 1.00 0.00 C ATOM 2099 C LYS A 133 -7.396 8.622 4.032 1.00 0.00 C ATOM 2100 O LYS A 133 -7.681 9.361 3.094 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.826 9.257 5.987 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.912 9.676 7.446 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.697 10.968 7.613 1.00 0.00 C ATOM 2104 CE LYS A 133 -9.773 11.387 9.072 1.00 0.00 C ATOM 2105 NZ LYS A 133 -11.071 11.006 9.695 1.00 0.00 N ATOM 0 H LYS A 133 -7.006 11.085 4.787 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.846 8.448 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.371 9.978 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -9.323 8.295 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -9.387 8.884 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.907 9.806 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -9.226 11.759 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.704 10.837 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.956 10.924 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.638 12.466 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -10.896 10.570 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.660 11.855 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -11.565 10.327 9.081 1.00 0.00 H new ATOM 2119 N ALA A 134 -7.093 7.343 3.879 1.00 0.00 N ATOM 2120 CA ALA A 134 -7.069 6.697 2.564 1.00 0.00 C ATOM 2121 C ALA A 134 -7.972 5.461 2.555 1.00 0.00 C ATOM 2122 O ALA A 134 -7.999 4.705 3.526 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.644 6.317 2.191 1.00 0.00 C ATOM 0 H ALA A 134 -6.857 6.722 4.653 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.447 7.403 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.640 5.838 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.025 7.214 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.245 5.627 2.934 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.726 5.267 1.470 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.648 4.120 1.382 1.00 0.00 C ATOM 2131 C ARG A 135 -9.305 3.134 0.262 1.00 0.00 C ATOM 2132 O ARG A 135 -9.304 3.490 -0.916 1.00 0.00 O ATOM 2133 CB ARG A 135 -11.090 4.602 1.209 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.223 5.906 0.440 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.308 5.816 -0.618 1.00 0.00 C ATOM 2136 NE ARG A 135 -12.775 7.136 -1.036 1.00 0.00 N ATOM 2137 CZ ARG A 135 -13.934 7.352 -1.654 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.747 6.339 -1.927 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.282 8.584 -1.998 1.00 0.00 N ATOM 0 H ARG A 135 -8.721 5.875 0.651 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.537 3.582 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.660 3.829 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.540 4.726 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.453 6.716 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.271 6.151 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.926 5.275 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.148 5.241 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.177 7.940 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.485 5.389 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.634 6.510 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -13.662 9.366 -1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.170 8.750 -2.472 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.037 1.875 0.647 1.00 0.00 N ATOM 2154 CA VAL A 136 -8.722 0.823 -0.322 1.00 0.00 C ATOM 2155 C VAL A 136 -9.545 -0.466 -0.114 1.00 0.00 C ATOM 2156 O VAL A 136 -9.393 -1.146 0.897 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.227 0.457 -0.278 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -6.876 -0.504 -1.405 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.368 1.711 -0.349 1.00 0.00 C ATOM 0 H VAL A 136 -9.033 1.566 1.619 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.984 1.241 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.023 -0.043 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.815 -0.750 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.465 -1.415 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.096 -0.036 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.315 1.433 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.575 2.242 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.598 2.358 0.497 1.00 0.00 H new ATOM 2169 N ILE A 137 -10.369 -0.801 -1.113 1.00 0.00 N ATOM 2170 CA ILE A 137 -11.197 -2.013 -1.127 1.00 0.00 C ATOM 2171 C ILE A 137 -10.399 -3.200 -1.659 1.00 0.00 C ATOM 2172 O ILE A 137 -9.618 -3.078 -2.601 1.00 0.00 O ATOM 2173 CB ILE A 137 -12.475 -1.840 -1.996 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -13.648 -1.330 -1.145 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -12.854 -3.144 -2.694 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -14.413 -2.422 -0.425 1.00 0.00 C ATOM 0 H ILE A 137 -10.481 -0.228 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.501 -2.196 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 137 -12.253 -1.099 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -13.267 -0.622 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -14.337 -0.782 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -13.751 -2.989 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -12.036 -3.461 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -13.045 -3.914 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -15.224 -1.978 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -14.826 -3.118 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -13.740 -2.956 0.246 1.00 0.00 H new ATOM 2188 N LEU A 138 -10.615 -4.341 -1.034 1.00 0.00 N ATOM 2189 CA LEU A 138 -9.950 -5.578 -1.389 1.00 0.00 C ATOM 2190 C LEU A 138 -10.993 -6.662 -1.578 1.00 0.00 C ATOM 2191 O LEU A 138 -12.069 -6.585 -0.999 1.00 0.00 O ATOM 2192 CB LEU A 138 -8.937 -5.953 -0.308 1.00 0.00 C ATOM 2193 CG LEU A 138 -7.982 -4.818 0.076 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.463 -4.120 -1.171 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -8.681 -3.822 0.988 1.00 0.00 C ATOM 0 H LEU A 138 -11.266 -4.435 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.403 -5.458 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.476 -6.277 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.351 -6.805 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.135 -5.244 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.786 -3.316 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -6.930 -4.838 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -8.301 -3.705 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.989 -3.022 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.544 -3.400 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -9.012 -4.329 1.895 1.00 0.00 H new ATOM 2207 N ASP A 139 -10.707 -7.645 -2.412 1.00 0.00 N ATOM 2208 CA ASP A 139 -11.690 -8.689 -2.674 1.00 0.00 C ATOM 2209 C ASP A 139 -11.683 -9.744 -1.575 1.00 0.00 C ATOM 2210 O ASP A 139 -10.724 -10.497 -1.416 1.00 0.00 O ATOM 2211 CB ASP A 139 -11.414 -9.341 -4.031 1.00 0.00 C ATOM 2212 CG ASP A 139 -12.392 -8.890 -5.098 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -12.415 -7.680 -5.408 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -13.136 -9.745 -5.621 1.00 0.00 O ATOM 0 H ASP A 139 -9.823 -7.746 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.677 -8.227 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -10.399 -9.100 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -11.467 -10.425 -3.928 1.00 0.00 H new ATOM 2219 N LEU A 140 -12.783 -9.776 -0.819 1.00 0.00 N ATOM 2220 CA LEU A 140 -12.962 -10.717 0.281 1.00 0.00 C ATOM 2221 C LEU A 140 -14.270 -10.443 1.016 1.00 0.00 C ATOM 2222 O LEU A 140 -14.601 -11.216 1.940 1.00 0.00 O ATOM 2223 CB LEU A 140 -11.790 -10.636 1.264 1.00 0.00 C ATOM 2224 CG LEU A 140 -11.698 -9.329 2.056 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -11.284 -9.603 3.495 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -10.720 -8.371 1.392 1.00 0.00 C ATOM 2227 OXT LEU A 140 -14.953 -9.459 0.662 1.00 0.00 O ATOM 0 H LEU A 140 -13.574 -9.147 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.997 -11.721 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -11.868 -11.465 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -10.861 -10.774 0.711 1.00 0.00 H new ATOM 0 HG LEU A 140 -12.683 -8.863 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -11.224 -8.662 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -12.021 -10.252 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -10.310 -10.092 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.667 -7.447 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -9.732 -8.830 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -11.059 -8.148 0.380 1.00 0.00 H new TER 2239 LEU A 140