USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 65 GLN : amide:sc= -1.05 K(o=-0.012,f=-1.4!) USER MOD Set 1.2: A 69 SER OG : rot 2:sc= 1.03 USER MOD Set 2.1: A 50 TYR OH : rot -30:sc= 0.925 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= -0.0126 USER MOD Set 2.3: A 62 GLN : amide:sc= -0.0504 K(o=0.86,f=-0.35) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.8!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0.428 (180deg=0.358) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0105 (180deg=-0.118) USER MOD Single : A 54 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.23) USER MOD Single : A 79 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.00071) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 96 SER OG : rot 154:sc= 0.0511 USER MOD Single : A 98 TYR OH : rot -179:sc= -2.62! USER MOD Single : A 99 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.63) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 106 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 108 GLN : amide:sc= 0.265 X(o=0.27,f=-0.092) USER MOD Single : A 113 SER OG : rot -61:sc= 0.461 USER MOD Single : A 122 SER OG : rot 57:sc= -11.3! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 128 ASN : amide:sc= 0.472 K(o=0.47,f=-0.62) USER MOD Single : A 130 THR OG1 : rot -120:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.676 -5.796 -5.174 1.00 0.00 N ATOM 64 CA GLU A 29 18.869 -4.800 -4.474 1.00 0.00 C ATOM 65 C GLU A 29 17.886 -4.107 -5.412 1.00 0.00 C ATOM 66 O GLU A 29 16.734 -3.865 -5.046 1.00 0.00 O ATOM 67 CB GLU A 29 19.799 -3.764 -3.836 1.00 0.00 C ATOM 68 CG GLU A 29 19.102 -2.806 -2.889 1.00 0.00 C ATOM 69 CD GLU A 29 18.647 -3.483 -1.615 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.395 -3.441 -0.615 1.00 0.00 O ATOM 71 OE2 GLU A 29 17.540 -4.052 -1.605 1.00 0.00 O ATOM 0 HA GLU A 29 18.285 -5.308 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.588 -4.285 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.282 -3.190 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.779 -1.988 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.240 -2.366 -3.391 1.00 0.00 H new ATOM 78 N LYS A 30 18.337 -3.804 -6.627 1.00 0.00 N ATOM 79 CA LYS A 30 17.505 -3.095 -7.591 1.00 0.00 C ATOM 80 C LYS A 30 16.240 -3.888 -7.910 1.00 0.00 C ATOM 81 O LYS A 30 15.151 -3.322 -7.986 1.00 0.00 O ATOM 82 CB LYS A 30 18.281 -2.811 -8.881 1.00 0.00 C ATOM 83 CG LYS A 30 17.456 -2.070 -9.922 1.00 0.00 C ATOM 84 CD LYS A 30 18.243 -1.812 -11.194 1.00 0.00 C ATOM 85 CE LYS A 30 17.368 -1.159 -12.252 1.00 0.00 C ATOM 86 NZ LYS A 30 18.114 -0.879 -13.506 1.00 0.00 N ATOM 0 H LYS A 30 19.271 -4.038 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 30 17.217 -2.145 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.168 -2.223 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.628 -3.754 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.565 -2.651 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.117 -1.121 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.096 -1.169 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.642 -2.752 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.522 -1.810 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.960 -0.228 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.477 -0.434 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.906 -0.237 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.482 -1.770 -13.897 1.00 0.00 H new ATOM 100 N ALA A 31 16.383 -5.195 -8.072 1.00 0.00 N ATOM 101 CA ALA A 31 15.251 -6.036 -8.430 1.00 0.00 C ATOM 102 C ALA A 31 14.270 -6.148 -7.276 1.00 0.00 C ATOM 103 O ALA A 31 13.053 -6.109 -7.478 1.00 0.00 O ATOM 104 CB ALA A 31 15.719 -7.414 -8.859 1.00 0.00 C ATOM 0 H ALA A 31 17.266 -5.694 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 31 14.739 -5.567 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.856 -8.026 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.376 -7.322 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.262 -7.885 -8.040 1.00 0.00 H new ATOM 110 N ASP A 32 14.803 -6.274 -6.065 1.00 0.00 N ATOM 111 CA ASP A 32 13.968 -6.391 -4.877 1.00 0.00 C ATOM 112 C ASP A 32 13.131 -5.138 -4.690 1.00 0.00 C ATOM 113 O ASP A 32 11.922 -5.216 -4.487 1.00 0.00 O ATOM 114 CB ASP A 32 14.810 -6.625 -3.621 1.00 0.00 C ATOM 115 CG ASP A 32 15.558 -7.943 -3.633 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.805 -7.919 -3.646 1.00 0.00 O ATOM 117 OD2 ASP A 32 14.907 -9.009 -3.619 1.00 0.00 O ATOM 0 H ASP A 32 15.806 -6.298 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 32 13.314 -7.251 -5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.527 -5.810 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.160 -6.593 -2.746 1.00 0.00 H new ATOM 122 N ARG A 33 13.769 -3.977 -4.794 1.00 0.00 N ATOM 123 CA ARG A 33 13.073 -2.717 -4.577 1.00 0.00 C ATOM 124 C ARG A 33 12.052 -2.442 -5.681 1.00 0.00 C ATOM 125 O ARG A 33 10.981 -1.903 -5.413 1.00 0.00 O ATOM 126 CB ARG A 33 14.047 -1.544 -4.428 1.00 0.00 C ATOM 127 CG ARG A 33 14.986 -1.344 -5.604 1.00 0.00 C ATOM 128 CD ARG A 33 15.860 -0.120 -5.406 1.00 0.00 C ATOM 129 NE ARG A 33 15.068 1.109 -5.378 1.00 0.00 N ATOM 130 CZ ARG A 33 15.195 2.063 -4.456 1.00 0.00 C ATOM 131 NH1 ARG A 33 16.053 1.922 -3.452 1.00 0.00 N ATOM 132 NH2 ARG A 33 14.448 3.158 -4.532 1.00 0.00 N ATOM 0 H ARG A 33 14.758 -3.884 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 33 12.531 -2.814 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.473 -0.629 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.642 -1.696 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.614 -2.227 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.407 -1.236 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.416 -0.216 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.594 -0.062 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 33 14.373 1.245 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.622 1.078 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.143 2.658 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.779 3.267 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.543 3.890 -3.828 1.00 0.00 H new ATOM 146 N GLN A 34 12.378 -2.809 -6.919 1.00 0.00 N ATOM 147 CA GLN A 34 11.439 -2.639 -8.027 1.00 0.00 C ATOM 148 C GLN A 34 10.198 -3.504 -7.815 1.00 0.00 C ATOM 149 O GLN A 34 9.083 -3.111 -8.167 1.00 0.00 O ATOM 150 CB GLN A 34 12.094 -2.983 -9.368 1.00 0.00 C ATOM 151 CG GLN A 34 13.170 -2.003 -9.818 1.00 0.00 C ATOM 152 CD GLN A 34 12.642 -0.604 -10.087 1.00 0.00 C ATOM 153 OE1 GLN A 34 11.700 -0.136 -9.446 1.00 0.00 O ATOM 154 NE2 GLN A 34 13.240 0.072 -11.053 1.00 0.00 N ATOM 0 H GLN A 34 13.274 -3.221 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 34 11.142 -1.591 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.534 -3.978 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.320 -3.030 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.944 -1.949 -9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.642 -2.385 -10.723 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.017 -0.347 -11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.924 1.013 -11.288 1.00 0.00 H new ATOM 163 N LYS A 35 10.403 -4.680 -7.229 1.00 0.00 N ATOM 164 CA LYS A 35 9.300 -5.566 -6.877 1.00 0.00 C ATOM 165 C LYS A 35 8.454 -4.924 -5.784 1.00 0.00 C ATOM 166 O LYS A 35 7.226 -5.024 -5.790 1.00 0.00 O ATOM 167 CB LYS A 35 9.834 -6.918 -6.400 1.00 0.00 C ATOM 168 CG LYS A 35 8.748 -7.926 -6.055 1.00 0.00 C ATOM 169 CD LYS A 35 8.007 -8.404 -7.293 1.00 0.00 C ATOM 170 CE LYS A 35 6.911 -9.395 -6.936 1.00 0.00 C ATOM 171 NZ LYS A 35 5.770 -8.742 -6.240 1.00 0.00 N ATOM 0 H LYS A 35 11.326 -5.041 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 35 8.683 -5.729 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.473 -7.339 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.461 -6.760 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.194 -8.780 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.040 -7.474 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.572 -7.549 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.711 -8.870 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.552 -9.880 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.324 -10.177 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.070 -9.462 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.115 -8.258 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.326 -8.049 -6.876 1.00 0.00 H new ATOM 185 N VAL A 36 9.130 -4.246 -4.862 1.00 0.00 N ATOM 186 CA VAL A 36 8.465 -3.518 -3.791 1.00 0.00 C ATOM 187 C VAL A 36 7.562 -2.440 -4.376 1.00 0.00 C ATOM 188 O VAL A 36 6.419 -2.280 -3.957 1.00 0.00 O ATOM 189 CB VAL A 36 9.493 -2.868 -2.834 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.809 -2.007 -1.787 1.00 0.00 C ATOM 191 CG2 VAL A 36 10.343 -3.931 -2.160 1.00 0.00 C ATOM 0 H VAL A 36 10.148 -4.187 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 36 7.866 -4.230 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 36 10.138 -2.225 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.560 -1.566 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.246 -1.214 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.129 -2.622 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.059 -3.454 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.702 -4.600 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.879 -4.503 -2.918 1.00 0.00 H new ATOM 201 N VAL A 37 8.080 -1.725 -5.368 1.00 0.00 N ATOM 202 CA VAL A 37 7.315 -0.697 -6.063 1.00 0.00 C ATOM 203 C VAL A 37 6.070 -1.292 -6.720 1.00 0.00 C ATOM 204 O VAL A 37 4.994 -0.698 -6.686 1.00 0.00 O ATOM 205 CB VAL A 37 8.173 0.010 -7.137 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.356 1.053 -7.887 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.401 0.648 -6.505 1.00 0.00 C ATOM 0 H VAL A 37 9.034 -1.840 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 37 7.010 0.037 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 37 8.503 -0.741 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.983 1.536 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.511 0.570 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.989 1.801 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.993 1.141 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.088 1.383 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.003 -0.122 -6.022 1.00 0.00 H new ATOM 217 N SER A 38 6.220 -2.478 -7.297 1.00 0.00 N ATOM 218 CA SER A 38 5.120 -3.147 -7.982 1.00 0.00 C ATOM 219 C SER A 38 3.968 -3.442 -7.014 1.00 0.00 C ATOM 220 O SER A 38 2.797 -3.199 -7.326 1.00 0.00 O ATOM 221 CB SER A 38 5.619 -4.439 -8.634 1.00 0.00 C ATOM 222 OG SER A 38 4.603 -5.049 -9.413 1.00 0.00 O ATOM 0 H SER A 38 7.097 -2.999 -7.304 1.00 0.00 H new ATOM 0 HA SER A 38 4.742 -2.482 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.482 -4.221 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.954 -5.132 -7.863 1.00 0.00 H new ATOM 0 HG SER A 38 4.951 -5.871 -9.818 1.00 0.00 H new ATOM 228 N ASP A 39 4.292 -3.963 -5.839 1.00 0.00 N ATOM 229 CA ASP A 39 3.274 -4.198 -4.823 1.00 0.00 C ATOM 230 C ASP A 39 2.764 -2.870 -4.279 1.00 0.00 C ATOM 231 O ASP A 39 1.579 -2.710 -4.006 1.00 0.00 O ATOM 232 CB ASP A 39 3.814 -5.049 -3.671 1.00 0.00 C ATOM 233 CG ASP A 39 4.088 -6.487 -4.061 1.00 0.00 C ATOM 234 OD1 ASP A 39 3.133 -7.293 -4.088 1.00 0.00 O ATOM 235 OD2 ASP A 39 5.261 -6.825 -4.321 1.00 0.00 O ATOM 0 H ASP A 39 5.239 -4.228 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 39 2.456 -4.743 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.735 -4.600 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.097 -5.033 -2.851 1.00 0.00 H new ATOM 240 N LEU A 40 3.676 -1.920 -4.146 1.00 0.00 N ATOM 241 CA LEU A 40 3.371 -0.601 -3.605 1.00 0.00 C ATOM 242 C LEU A 40 2.316 0.115 -4.448 1.00 0.00 C ATOM 243 O LEU A 40 1.361 0.678 -3.910 1.00 0.00 O ATOM 244 CB LEU A 40 4.655 0.225 -3.552 1.00 0.00 C ATOM 245 CG LEU A 40 4.574 1.544 -2.790 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.372 1.293 -1.305 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.834 2.358 -3.029 1.00 0.00 C ATOM 0 H LEU A 40 4.654 -2.041 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 40 2.964 -0.719 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.437 -0.385 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.968 0.438 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 40 3.717 2.109 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.317 2.246 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.445 0.740 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.209 0.712 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.769 3.298 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.701 1.796 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.937 2.565 -4.094 1.00 0.00 H new ATOM 259 N VAL A 41 2.484 0.088 -5.767 1.00 0.00 N ATOM 260 CA VAL A 41 1.513 0.701 -6.664 1.00 0.00 C ATOM 261 C VAL A 41 0.174 -0.030 -6.580 1.00 0.00 C ATOM 262 O VAL A 41 -0.885 0.596 -6.655 1.00 0.00 O ATOM 263 CB VAL A 41 2.001 0.768 -8.135 1.00 0.00 C ATOM 264 CG1 VAL A 41 3.292 1.563 -8.235 1.00 0.00 C ATOM 265 CG2 VAL A 41 2.185 -0.616 -8.734 1.00 0.00 C ATOM 0 H VAL A 41 3.278 -0.349 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 41 1.387 1.731 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 41 1.227 1.276 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.618 1.598 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.124 2.577 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.062 1.084 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.527 -0.524 -9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.925 -1.168 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.235 -1.150 -8.714 1.00 0.00 H new ATOM 275 N ALA A 42 0.228 -1.354 -6.421 1.00 0.00 N ATOM 276 CA ALA A 42 -0.981 -2.151 -6.228 1.00 0.00 C ATOM 277 C ALA A 42 -1.712 -1.731 -4.955 1.00 0.00 C ATOM 278 O ALA A 42 -2.942 -1.651 -4.935 1.00 0.00 O ATOM 279 CB ALA A 42 -0.642 -3.633 -6.170 1.00 0.00 C ATOM 0 H ALA A 42 1.094 -1.894 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.639 -1.974 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.556 -4.210 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.166 -3.934 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.039 -3.818 -5.339 1.00 0.00 H new ATOM 285 N LEU A 43 -0.949 -1.459 -3.896 1.00 0.00 N ATOM 286 CA LEU A 43 -1.520 -0.990 -2.634 1.00 0.00 C ATOM 287 C LEU A 43 -2.251 0.325 -2.836 1.00 0.00 C ATOM 288 O LEU A 43 -3.400 0.486 -2.430 1.00 0.00 O ATOM 289 CB LEU A 43 -0.426 -0.790 -1.581 1.00 0.00 C ATOM 290 CG LEU A 43 -0.206 -1.962 -0.623 1.00 0.00 C ATOM 291 CD1 LEU A 43 0.163 -3.222 -1.379 1.00 0.00 C ATOM 292 CD2 LEU A 43 0.866 -1.609 0.390 1.00 0.00 C ATOM 0 H LEU A 43 0.066 -1.556 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.220 -1.750 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.513 -0.583 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.670 0.095 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.139 -2.156 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.314 -4.039 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.641 -3.481 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.082 -3.054 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.016 -2.449 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.799 -1.390 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.554 -0.734 0.960 1.00 0.00 H new ATOM 304 N GLU A 44 -1.576 1.250 -3.495 1.00 0.00 N ATOM 305 CA GLU A 44 -2.125 2.570 -3.750 1.00 0.00 C ATOM 306 C GLU A 44 -3.364 2.457 -4.638 1.00 0.00 C ATOM 307 O GLU A 44 -4.348 3.177 -4.452 1.00 0.00 O ATOM 308 CB GLU A 44 -1.034 3.434 -4.393 1.00 0.00 C ATOM 309 CG GLU A 44 -1.318 4.930 -4.409 1.00 0.00 C ATOM 310 CD GLU A 44 -2.275 5.344 -5.502 1.00 0.00 C ATOM 311 OE1 GLU A 44 -2.135 4.847 -6.639 1.00 0.00 O ATOM 312 OE2 GLU A 44 -3.150 6.195 -5.241 1.00 0.00 O ATOM 0 H GLU A 44 -0.637 1.109 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.440 3.043 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.098 3.264 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.884 3.098 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.730 5.225 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.379 5.470 -4.534 1.00 0.00 H new ATOM 319 N GLY A 45 -3.317 1.523 -5.582 1.00 0.00 N ATOM 320 CA GLY A 45 -4.450 1.279 -6.453 1.00 0.00 C ATOM 321 C GLY A 45 -5.653 0.754 -5.695 1.00 0.00 C ATOM 322 O GLY A 45 -6.785 1.176 -5.941 1.00 0.00 O ATOM 0 H GLY A 45 -2.508 0.927 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.720 2.204 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.166 0.561 -7.223 1.00 0.00 H new ATOM 326 N ALA A 46 -5.409 -0.169 -4.767 1.00 0.00 N ATOM 327 CA ALA A 46 -6.468 -0.705 -3.919 1.00 0.00 C ATOM 328 C ALA A 46 -7.111 0.403 -3.096 1.00 0.00 C ATOM 329 O ALA A 46 -8.334 0.458 -2.945 1.00 0.00 O ATOM 330 CB ALA A 46 -5.910 -1.783 -3.008 1.00 0.00 C ATOM 0 H ALA A 46 -4.485 -0.561 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.234 -1.144 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.708 -2.177 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.492 -2.589 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.128 -1.358 -2.378 1.00 0.00 H new ATOM 336 N LEU A 47 -6.270 1.290 -2.579 1.00 0.00 N ATOM 337 CA LEU A 47 -6.726 2.443 -1.813 1.00 0.00 C ATOM 338 C LEU A 47 -7.640 3.328 -2.655 1.00 0.00 C ATOM 339 O LEU A 47 -8.654 3.828 -2.169 1.00 0.00 O ATOM 340 CB LEU A 47 -5.523 3.253 -1.315 1.00 0.00 C ATOM 341 CG LEU A 47 -4.949 2.849 0.052 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.805 1.340 0.177 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.602 3.521 0.262 1.00 0.00 C ATOM 0 H LEU A 47 -5.257 1.231 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.294 2.082 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.728 3.175 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.813 4.303 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.647 3.179 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.396 1.093 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.782 0.871 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.133 0.973 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.199 3.232 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.914 3.210 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.726 4.603 0.229 1.00 0.00 H new ATOM 355 N ASP A 48 -7.288 3.497 -3.926 1.00 0.00 N ATOM 356 CA ASP A 48 -8.079 4.323 -4.834 1.00 0.00 C ATOM 357 C ASP A 48 -9.427 3.674 -5.115 1.00 0.00 C ATOM 358 O ASP A 48 -10.446 4.358 -5.223 1.00 0.00 O ATOM 359 CB ASP A 48 -7.337 4.560 -6.154 1.00 0.00 C ATOM 360 CG ASP A 48 -8.113 5.471 -7.088 1.00 0.00 C ATOM 361 OD1 ASP A 48 -8.642 4.981 -8.110 1.00 0.00 O ATOM 362 OD2 ASP A 48 -8.215 6.681 -6.792 1.00 0.00 O ATOM 0 H ASP A 48 -6.462 3.074 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.240 5.285 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.361 4.999 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.158 3.604 -6.646 1.00 0.00 H new ATOM 367 N MET A 49 -9.434 2.349 -5.202 1.00 0.00 N ATOM 368 CA MET A 49 -10.648 1.611 -5.470 1.00 0.00 C ATOM 369 C MET A 49 -11.587 1.710 -4.271 1.00 0.00 C ATOM 370 O MET A 49 -12.787 1.942 -4.427 1.00 0.00 O ATOM 371 CB MET A 49 -10.296 0.152 -5.806 1.00 0.00 C ATOM 372 CG MET A 49 -11.162 -0.877 -5.107 1.00 0.00 C ATOM 373 SD MET A 49 -12.865 -0.907 -5.711 1.00 0.00 S ATOM 374 CE MET A 49 -13.578 -2.177 -4.670 1.00 0.00 C ATOM 0 H MET A 49 -8.604 1.767 -5.089 1.00 0.00 H new ATOM 0 HA MET A 49 -11.166 2.037 -6.329 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.381 0.009 -6.883 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.254 -0.028 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 49 -10.719 -1.864 -5.239 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.167 -0.671 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 49 -14.629 -2.309 -4.926 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.046 -3.116 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 49 -13.494 -1.880 -3.625 1.00 0.00 H new ATOM 384 N TYR A 50 -11.026 1.574 -3.073 1.00 0.00 N ATOM 385 CA TYR A 50 -11.814 1.672 -1.856 1.00 0.00 C ATOM 386 C TYR A 50 -12.364 3.087 -1.690 1.00 0.00 C ATOM 387 O TYR A 50 -13.505 3.270 -1.265 1.00 0.00 O ATOM 388 CB TYR A 50 -10.981 1.276 -0.631 1.00 0.00 C ATOM 389 CG TYR A 50 -11.767 1.299 0.664 1.00 0.00 C ATOM 390 CD1 TYR A 50 -12.582 0.233 1.028 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.707 2.395 1.514 1.00 0.00 C ATOM 392 CE1 TYR A 50 -13.313 0.262 2.201 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.430 2.428 2.689 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.233 1.363 3.027 1.00 0.00 C ATOM 395 OH TYR A 50 -13.963 1.402 4.194 1.00 0.00 O ATOM 0 H TYR A 50 -10.033 1.396 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.651 0.979 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.576 0.276 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.132 1.954 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.645 -0.632 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.083 3.237 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.943 -0.573 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.366 3.287 3.341 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.787 0.883 4.082 1.00 0.00 H new ATOM 405 N LYS A 51 -11.556 4.085 -2.038 1.00 0.00 N ATOM 406 CA LYS A 51 -11.984 5.475 -1.942 1.00 0.00 C ATOM 407 C LYS A 51 -13.041 5.789 -2.994 1.00 0.00 C ATOM 408 O LYS A 51 -13.923 6.605 -2.767 1.00 0.00 O ATOM 409 CB LYS A 51 -10.799 6.434 -2.087 1.00 0.00 C ATOM 410 CG LYS A 51 -11.189 7.892 -1.880 1.00 0.00 C ATOM 411 CD LYS A 51 -9.993 8.822 -1.975 1.00 0.00 C ATOM 412 CE LYS A 51 -10.396 10.272 -1.741 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.317 10.779 -2.797 1.00 0.00 N ATOM 0 H LYS A 51 -10.606 3.957 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.419 5.616 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.028 6.163 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.362 6.317 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.930 8.178 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.660 8.006 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.243 8.528 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.532 8.725 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.879 10.360 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.502 10.895 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.430 11.808 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.921 10.566 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.244 10.318 -2.700 1.00 0.00 H new ATOM 427 N LEU A 52 -12.950 5.151 -4.147 1.00 0.00 N ATOM 428 CA LEU A 52 -13.934 5.366 -5.196 1.00 0.00 C ATOM 429 C LEU A 52 -15.288 4.796 -4.775 1.00 0.00 C ATOM 430 O LEU A 52 -16.334 5.402 -5.013 1.00 0.00 O ATOM 431 CB LEU A 52 -13.466 4.729 -6.507 1.00 0.00 C ATOM 432 CG LEU A 52 -14.355 5.003 -7.724 1.00 0.00 C ATOM 433 CD1 LEU A 52 -14.427 6.494 -8.017 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.838 4.250 -8.940 1.00 0.00 C ATOM 0 H LEU A 52 -12.213 4.486 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.044 6.438 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.460 5.086 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.398 3.651 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.361 4.650 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -15.064 6.664 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.843 7.015 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.426 6.873 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.481 4.456 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.822 4.574 -9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.840 3.180 -8.733 1.00 0.00 H new ATOM 446 N ASP A 53 -15.258 3.626 -4.151 1.00 0.00 N ATOM 447 CA ASP A 53 -16.477 2.956 -3.712 1.00 0.00 C ATOM 448 C ASP A 53 -17.057 3.575 -2.437 1.00 0.00 C ATOM 449 O ASP A 53 -18.264 3.802 -2.344 1.00 0.00 O ATOM 450 CB ASP A 53 -16.214 1.466 -3.494 1.00 0.00 C ATOM 451 CG ASP A 53 -17.486 0.696 -3.201 1.00 0.00 C ATOM 452 OD1 ASP A 53 -18.331 0.567 -4.115 1.00 0.00 O ATOM 453 OD2 ASP A 53 -17.644 0.208 -2.064 1.00 0.00 O ATOM 0 H ASP A 53 -14.400 3.119 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.215 3.086 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.736 1.050 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.516 1.339 -2.666 1.00 0.00 H new ATOM 458 N ASN A 54 -16.202 3.848 -1.457 1.00 0.00 N ATOM 459 CA ASN A 54 -16.673 4.260 -0.131 1.00 0.00 C ATOM 460 C ASN A 54 -16.324 5.710 0.186 1.00 0.00 C ATOM 461 O ASN A 54 -16.540 6.175 1.307 1.00 0.00 O ATOM 462 CB ASN A 54 -16.097 3.338 0.947 1.00 0.00 C ATOM 463 CG ASN A 54 -16.470 1.889 0.714 1.00 0.00 C ATOM 464 OD1 ASN A 54 -17.515 1.423 1.161 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.616 1.164 0.012 1.00 0.00 N ATOM 0 H ASN A 54 -15.188 3.794 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.760 4.180 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.011 3.434 0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.460 3.653 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.815 0.181 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.758 1.587 -0.342 1.00 0.00 H new ATOM 472 N SER A 55 -15.762 6.403 -0.797 1.00 0.00 N ATOM 473 CA SER A 55 -15.496 7.843 -0.708 1.00 0.00 C ATOM 474 C SER A 55 -14.427 8.197 0.334 1.00 0.00 C ATOM 475 O SER A 55 -14.210 9.376 0.620 1.00 0.00 O ATOM 476 CB SER A 55 -16.790 8.597 -0.402 1.00 0.00 C ATOM 477 OG SER A 55 -17.813 8.255 -1.325 1.00 0.00 O ATOM 0 H SER A 55 -15.475 5.986 -1.683 1.00 0.00 H new ATOM 0 HA SER A 55 -15.104 8.148 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.118 8.365 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.606 9.671 -0.440 1.00 0.00 H new ATOM 0 HG SER A 55 -18.630 8.750 -1.106 1.00 0.00 H new ATOM 483 N ARG A 56 -13.742 7.202 0.886 1.00 0.00 N ATOM 484 CA ARG A 56 -12.754 7.466 1.925 1.00 0.00 C ATOM 485 C ARG A 56 -11.603 6.469 1.851 1.00 0.00 C ATOM 486 O ARG A 56 -11.692 5.462 1.151 1.00 0.00 O ATOM 487 CB ARG A 56 -13.422 7.431 3.307 1.00 0.00 C ATOM 488 CG ARG A 56 -13.890 6.051 3.755 1.00 0.00 C ATOM 489 CD ARG A 56 -12.940 5.458 4.782 1.00 0.00 C ATOM 490 NE ARG A 56 -13.385 4.155 5.275 1.00 0.00 N ATOM 491 CZ ARG A 56 -13.346 3.791 6.555 1.00 0.00 C ATOM 492 NH1 ARG A 56 -12.894 4.633 7.482 1.00 0.00 N ATOM 493 NH2 ARG A 56 -13.752 2.580 6.906 1.00 0.00 N ATOM 0 H ARG A 56 -13.850 6.219 0.636 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.339 8.461 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.719 7.818 4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.279 8.105 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.891 6.123 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.957 5.389 2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.950 5.355 4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.843 6.146 5.622 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.747 3.484 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.575 5.564 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.867 4.347 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.093 1.931 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.724 2.297 7.885 1.00 0.00 H new ATOM 507 N TYR A 57 -10.529 6.762 2.574 1.00 0.00 N ATOM 508 CA TYR A 57 -9.336 5.925 2.567 1.00 0.00 C ATOM 509 C TYR A 57 -9.391 4.867 3.669 1.00 0.00 C ATOM 510 O TYR A 57 -9.869 5.123 4.774 1.00 0.00 O ATOM 511 CB TYR A 57 -8.082 6.783 2.734 1.00 0.00 C ATOM 512 CG TYR A 57 -7.569 7.387 1.444 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.097 6.575 0.420 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.532 8.762 1.258 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.603 7.116 -0.749 1.00 0.00 C ATOM 516 CE2 TYR A 57 -7.043 9.311 0.087 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.577 8.482 -0.911 1.00 0.00 C ATOM 518 OH TYR A 57 -6.079 9.020 -2.075 1.00 0.00 O ATOM 0 H TYR A 57 -10.460 7.581 3.178 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.297 5.414 1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.296 7.586 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.294 6.173 3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.117 5.502 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.891 9.414 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.238 6.470 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.026 10.383 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.132 9.998 -2.032 1.00 0.00 H new ATOM 528 N PRO A 58 -8.883 3.663 3.367 1.00 0.00 N ATOM 529 CA PRO A 58 -8.928 2.515 4.281 1.00 0.00 C ATOM 530 C PRO A 58 -7.947 2.623 5.450 1.00 0.00 C ATOM 531 O PRO A 58 -6.996 3.404 5.414 1.00 0.00 O ATOM 532 CB PRO A 58 -8.528 1.346 3.383 1.00 0.00 C ATOM 533 CG PRO A 58 -7.674 1.950 2.328 1.00 0.00 C ATOM 534 CD PRO A 58 -8.221 3.326 2.091 1.00 0.00 C ATOM 0 HA PRO A 58 -9.908 2.423 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.985 0.585 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.404 0.861 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.633 1.994 2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.703 1.356 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.429 4.036 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.925 3.339 1.259 1.00 0.00 H new ATOM 542 N THR A 59 -8.197 1.822 6.481 1.00 0.00 N ATOM 543 CA THR A 59 -7.304 1.714 7.627 1.00 0.00 C ATOM 544 C THR A 59 -6.242 0.646 7.369 1.00 0.00 C ATOM 545 O THR A 59 -6.252 0.012 6.313 1.00 0.00 O ATOM 546 CB THR A 59 -8.079 1.358 8.910 1.00 0.00 C ATOM 547 OG1 THR A 59 -8.810 0.140 8.714 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.037 2.476 9.294 1.00 0.00 C ATOM 0 H THR A 59 -9.025 1.230 6.544 1.00 0.00 H new ATOM 0 HA THR A 59 -6.827 2.684 7.766 1.00 0.00 H new ATOM 0 HB THR A 59 -7.361 1.227 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.300 -0.083 9.533 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.572 2.201 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.475 3.393 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.752 2.636 8.487 1.00 0.00 H new ATOM 556 N THR A 60 -5.335 0.450 8.326 1.00 0.00 N ATOM 557 CA THR A 60 -4.227 -0.496 8.178 1.00 0.00 C ATOM 558 C THR A 60 -4.711 -1.871 7.711 1.00 0.00 C ATOM 559 O THR A 60 -4.156 -2.455 6.777 1.00 0.00 O ATOM 560 CB THR A 60 -3.472 -0.658 9.516 1.00 0.00 C ATOM 561 OG1 THR A 60 -3.029 0.623 9.984 1.00 0.00 O ATOM 562 CG2 THR A 60 -2.275 -1.589 9.363 1.00 0.00 C ATOM 0 H THR A 60 -5.346 0.939 9.221 1.00 0.00 H new ATOM 0 HA THR A 60 -3.559 -0.087 7.420 1.00 0.00 H new ATOM 0 HB THR A 60 -4.158 -1.097 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.612 1.115 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.763 -1.684 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.617 -2.571 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.587 -1.179 8.623 1.00 0.00 H new ATOM 570 N GLU A 61 -5.763 -2.361 8.343 1.00 0.00 N ATOM 571 CA GLU A 61 -6.302 -3.674 8.030 1.00 0.00 C ATOM 572 C GLU A 61 -7.016 -3.651 6.682 1.00 0.00 C ATOM 573 O GLU A 61 -6.821 -4.533 5.845 1.00 0.00 O ATOM 574 CB GLU A 61 -7.264 -4.104 9.137 1.00 0.00 C ATOM 575 CG GLU A 61 -7.802 -5.513 8.978 1.00 0.00 C ATOM 576 CD GLU A 61 -8.745 -5.883 10.099 1.00 0.00 C ATOM 577 OE1 GLU A 61 -8.263 -6.302 11.174 1.00 0.00 O ATOM 578 OE2 GLU A 61 -9.972 -5.740 9.917 1.00 0.00 O ATOM 0 H GLU A 61 -6.264 -1.866 9.081 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.484 -4.391 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.753 -4.028 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.102 -3.408 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.321 -5.598 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.972 -6.219 8.954 1.00 0.00 H new ATOM 585 N GLN A 62 -7.821 -2.618 6.471 1.00 0.00 N ATOM 586 CA GLN A 62 -8.623 -2.498 5.261 1.00 0.00 C ATOM 587 C GLN A 62 -7.747 -2.341 4.026 1.00 0.00 C ATOM 588 O GLN A 62 -8.011 -2.953 2.998 1.00 0.00 O ATOM 589 CB GLN A 62 -9.566 -1.304 5.366 1.00 0.00 C ATOM 590 CG GLN A 62 -10.564 -1.403 6.502 1.00 0.00 C ATOM 591 CD GLN A 62 -11.328 -0.112 6.702 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.558 0.639 5.757 1.00 0.00 O ATOM 593 NE2 GLN A 62 -11.705 0.166 7.937 1.00 0.00 N ATOM 0 H GLN A 62 -7.936 -1.846 7.128 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.203 -3.416 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.974 -0.397 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.110 -1.200 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.266 -2.211 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.040 -1.660 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.494 -0.485 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.207 1.032 8.134 1.00 0.00 H new ATOM 602 N GLY A 63 -6.706 -1.525 4.141 1.00 0.00 N ATOM 603 CA GLY A 63 -5.837 -1.254 3.012 1.00 0.00 C ATOM 604 C GLY A 63 -5.150 -2.498 2.492 1.00 0.00 C ATOM 605 O GLY A 63 -5.092 -2.723 1.285 1.00 0.00 O ATOM 0 H GLY A 63 -6.447 -1.043 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.421 -0.804 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.083 -0.524 3.306 1.00 0.00 H new ATOM 609 N LEU A 64 -4.639 -3.308 3.406 1.00 0.00 N ATOM 610 CA LEU A 64 -3.960 -4.543 3.039 1.00 0.00 C ATOM 611 C LEU A 64 -4.939 -5.573 2.488 1.00 0.00 C ATOM 612 O LEU A 64 -4.641 -6.267 1.515 1.00 0.00 O ATOM 613 CB LEU A 64 -3.222 -5.119 4.246 1.00 0.00 C ATOM 614 CG LEU A 64 -1.702 -5.006 4.190 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.278 -3.546 4.172 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.082 -5.739 5.370 1.00 0.00 C ATOM 0 H LEU A 64 -4.681 -3.133 4.410 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.240 -4.307 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.576 -4.612 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.489 -6.171 4.347 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.346 -5.470 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.191 -3.483 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.702 -3.055 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.637 -3.052 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.004 -5.653 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.440 -5.299 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.365 -6.791 5.334 1.00 0.00 H new ATOM 628 N GLN A 65 -6.104 -5.675 3.111 1.00 0.00 N ATOM 629 CA GLN A 65 -7.106 -6.644 2.687 1.00 0.00 C ATOM 630 C GLN A 65 -7.767 -6.240 1.371 1.00 0.00 C ATOM 631 O GLN A 65 -8.239 -7.094 0.637 1.00 0.00 O ATOM 632 CB GLN A 65 -8.181 -6.826 3.764 1.00 0.00 C ATOM 633 CG GLN A 65 -7.674 -7.492 5.037 1.00 0.00 C ATOM 634 CD GLN A 65 -7.188 -8.915 4.822 1.00 0.00 C ATOM 635 OE1 GLN A 65 -6.280 -9.382 5.512 1.00 0.00 O ATOM 636 NE2 GLN A 65 -7.794 -9.630 3.884 1.00 0.00 N ATOM 0 H GLN A 65 -6.379 -5.102 3.909 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.585 -7.589 2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.597 -5.851 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.995 -7.423 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.860 -6.897 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.473 -7.497 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.542 -9.214 3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.512 -10.596 3.717 1.00 0.00 H new ATOM 645 N ALA A 66 -7.761 -4.946 1.066 1.00 0.00 N ATOM 646 CA ALA A 66 -8.548 -4.393 -0.043 1.00 0.00 C ATOM 647 C ALA A 66 -8.183 -4.986 -1.403 1.00 0.00 C ATOM 648 O ALA A 66 -9.036 -5.096 -2.284 1.00 0.00 O ATOM 649 CB ALA A 66 -8.399 -2.880 -0.087 1.00 0.00 C ATOM 0 H ALA A 66 -7.215 -4.250 1.575 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.585 -4.666 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.987 -2.480 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.753 -2.452 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.350 -2.622 -0.230 1.00 0.00 H new ATOM 655 N LEU A 67 -6.928 -5.365 -1.585 1.00 0.00 N ATOM 656 CA LEU A 67 -6.487 -5.873 -2.878 1.00 0.00 C ATOM 657 C LEU A 67 -6.504 -7.395 -2.927 1.00 0.00 C ATOM 658 O LEU A 67 -6.147 -7.988 -3.940 1.00 0.00 O ATOM 659 CB LEU A 67 -5.117 -5.314 -3.314 1.00 0.00 C ATOM 660 CG LEU A 67 -3.909 -5.557 -2.400 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.627 -5.285 -3.175 1.00 0.00 C ATOM 662 CD2 LEU A 67 -3.953 -4.663 -1.168 1.00 0.00 C ATOM 0 H LEU A 67 -6.205 -5.332 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.214 -5.508 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.883 -5.733 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.224 -4.237 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.938 -6.595 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.767 -5.457 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.573 -5.953 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.622 -4.250 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.082 -4.862 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.947 -3.618 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.861 -4.869 -0.601 1.00 0.00 H new ATOM 674 N VAL A 68 -6.895 -8.030 -1.833 1.00 0.00 N ATOM 675 CA VAL A 68 -7.034 -9.483 -1.815 1.00 0.00 C ATOM 676 C VAL A 68 -8.484 -9.896 -1.516 1.00 0.00 C ATOM 677 O VAL A 68 -8.929 -10.980 -1.899 1.00 0.00 O ATOM 678 CB VAL A 68 -6.064 -10.131 -0.791 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.338 -9.644 0.622 1.00 0.00 C ATOM 680 CG2 VAL A 68 -6.133 -11.648 -0.854 1.00 0.00 C ATOM 0 H VAL A 68 -7.121 -7.569 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.771 -9.848 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.055 -9.822 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.640 -10.118 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.212 -8.562 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.359 -9.902 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.443 -12.074 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.148 -11.976 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.858 -11.984 -1.854 1.00 0.00 H new ATOM 690 N SER A 69 -9.223 -9.014 -0.856 1.00 0.00 N ATOM 691 CA SER A 69 -10.579 -9.307 -0.417 1.00 0.00 C ATOM 692 C SER A 69 -11.363 -8.015 -0.200 1.00 0.00 C ATOM 693 O SER A 69 -10.780 -6.934 -0.134 1.00 0.00 O ATOM 694 CB SER A 69 -10.514 -10.096 0.890 1.00 0.00 C ATOM 695 OG SER A 69 -9.687 -9.427 1.829 1.00 0.00 O ATOM 0 H SER A 69 -8.900 -8.078 -0.611 1.00 0.00 H new ATOM 0 HA SER A 69 -11.087 -9.892 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.517 -10.217 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.125 -11.096 0.700 1.00 0.00 H new ATOM 0 HG SER A 69 -9.363 -8.588 1.440 1.00 0.00 H new ATOM 701 N ALA A 70 -12.678 -8.120 -0.115 1.00 0.00 N ATOM 702 CA ALA A 70 -13.495 -6.989 0.297 1.00 0.00 C ATOM 703 C ALA A 70 -13.378 -6.790 1.806 1.00 0.00 C ATOM 704 O ALA A 70 -13.667 -7.710 2.575 1.00 0.00 O ATOM 705 CB ALA A 70 -14.948 -7.199 -0.097 1.00 0.00 C ATOM 0 H ALA A 70 -13.201 -8.970 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.133 -6.095 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.539 -6.340 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.020 -7.307 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.329 -8.100 0.384 1.00 0.00 H new ATOM 711 N PRO A 71 -12.936 -5.601 2.248 1.00 0.00 N ATOM 712 CA PRO A 71 -12.822 -5.284 3.675 1.00 0.00 C ATOM 713 C PRO A 71 -14.158 -5.409 4.400 1.00 0.00 C ATOM 714 O PRO A 71 -15.196 -4.971 3.898 1.00 0.00 O ATOM 715 CB PRO A 71 -12.345 -3.829 3.689 1.00 0.00 C ATOM 716 CG PRO A 71 -11.721 -3.618 2.354 1.00 0.00 C ATOM 717 CD PRO A 71 -12.491 -4.485 1.399 1.00 0.00 C ATOM 0 HA PRO A 71 -12.147 -5.969 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.176 -3.142 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.628 -3.656 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.773 -2.570 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.666 -3.893 2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.334 -3.951 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.867 -4.829 0.574 1.00 0.00 H new ATOM 725 N SER A 72 -14.121 -6.006 5.581 1.00 0.00 N ATOM 726 CA SER A 72 -15.323 -6.231 6.366 1.00 0.00 C ATOM 727 C SER A 72 -15.690 -4.978 7.149 1.00 0.00 C ATOM 728 O SER A 72 -16.867 -4.717 7.409 1.00 0.00 O ATOM 729 CB SER A 72 -15.107 -7.404 7.321 1.00 0.00 C ATOM 730 OG SER A 72 -14.572 -8.523 6.632 1.00 0.00 O ATOM 0 H SER A 72 -13.265 -6.345 6.019 1.00 0.00 H new ATOM 0 HA SER A 72 -16.144 -6.468 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.430 -7.107 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.053 -7.677 7.788 1.00 0.00 H new ATOM 0 HG SER A 72 -14.440 -9.262 7.262 1.00 0.00 H new ATOM 736 N ALA A 73 -14.674 -4.206 7.515 1.00 0.00 N ATOM 737 CA ALA A 73 -14.877 -2.972 8.253 1.00 0.00 C ATOM 738 C ALA A 73 -15.627 -1.957 7.400 1.00 0.00 C ATOM 739 O ALA A 73 -15.184 -1.593 6.308 1.00 0.00 O ATOM 740 CB ALA A 73 -13.543 -2.408 8.714 1.00 0.00 C ATOM 0 H ALA A 73 -13.697 -4.417 7.310 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.482 -3.188 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.710 -1.483 9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.046 -3.131 9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.915 -2.205 7.847 1.00 0.00 H new ATOM 746 N GLU A 74 -16.766 -1.515 7.910 1.00 0.00 N ATOM 747 CA GLU A 74 -17.649 -0.622 7.180 1.00 0.00 C ATOM 748 C GLU A 74 -17.034 0.770 7.038 1.00 0.00 C ATOM 749 O GLU A 74 -16.298 1.224 7.918 1.00 0.00 O ATOM 750 CB GLU A 74 -18.998 -0.542 7.894 1.00 0.00 C ATOM 751 CG GLU A 74 -19.633 -1.904 8.110 1.00 0.00 C ATOM 752 CD GLU A 74 -20.950 -1.827 8.844 1.00 0.00 C ATOM 753 OE1 GLU A 74 -20.948 -1.468 10.039 1.00 0.00 O ATOM 754 OE2 GLU A 74 -21.993 -2.146 8.238 1.00 0.00 O ATOM 0 H GLU A 74 -17.103 -1.765 8.840 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.795 -1.021 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.865 -0.052 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.676 0.081 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -19.788 -2.384 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.945 -2.535 8.673 1.00 0.00 H new ATOM 761 N PRO A 75 -17.331 1.472 5.930 1.00 0.00 N ATOM 762 CA PRO A 75 -18.238 0.983 4.880 1.00 0.00 C ATOM 763 C PRO A 75 -17.654 -0.197 4.106 1.00 0.00 C ATOM 764 O PRO A 75 -16.477 -0.205 3.745 1.00 0.00 O ATOM 765 CB PRO A 75 -18.420 2.194 3.954 1.00 0.00 C ATOM 766 CG PRO A 75 -17.863 3.358 4.701 1.00 0.00 C ATOM 767 CD PRO A 75 -16.810 2.802 5.608 1.00 0.00 C ATOM 0 HA PRO A 75 -19.173 0.613 5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.896 2.047 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.472 2.349 3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.440 4.094 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.642 3.864 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -15.839 2.748 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.681 3.413 6.501 1.00 0.00 H new ATOM 775 N HIS A 76 -18.492 -1.199 3.871 1.00 0.00 N ATOM 776 CA HIS A 76 -18.069 -2.412 3.190 1.00 0.00 C ATOM 777 C HIS A 76 -17.930 -2.160 1.692 1.00 0.00 C ATOM 778 O HIS A 76 -18.851 -1.650 1.053 1.00 0.00 O ATOM 779 CB HIS A 76 -19.085 -3.531 3.445 1.00 0.00 C ATOM 780 CG HIS A 76 -18.597 -4.897 3.065 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.158 -5.815 3.990 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.488 -5.501 1.858 1.00 0.00 C ATOM 783 CE1 HIS A 76 -17.796 -6.922 3.369 1.00 0.00 C ATOM 784 NE2 HIS A 76 -17.989 -6.761 2.074 1.00 0.00 N ATOM 0 H HIS A 76 -19.475 -1.193 4.145 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.098 -2.715 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.351 -3.532 4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.996 -3.314 2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.746 -5.071 0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.407 -7.811 3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.799 -7.457 1.353 1.00 0.00 H new ATOM 793 N ALA A 77 -16.774 -2.523 1.148 1.00 0.00 N ATOM 794 CA ALA A 77 -16.495 -2.342 -0.274 1.00 0.00 C ATOM 795 C ALA A 77 -17.455 -3.150 -1.139 1.00 0.00 C ATOM 796 O ALA A 77 -17.604 -4.359 -0.959 1.00 0.00 O ATOM 797 CB ALA A 77 -15.059 -2.736 -0.583 1.00 0.00 C ATOM 0 H ALA A 77 -16.010 -2.947 1.673 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.637 -1.287 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.864 -2.596 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.378 -2.112 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.904 -3.782 -0.320 1.00 0.00 H new ATOM 803 N ARG A 78 -18.105 -2.472 -2.071 1.00 0.00 N ATOM 804 CA ARG A 78 -19.021 -3.122 -2.994 1.00 0.00 C ATOM 805 C ARG A 78 -18.397 -3.226 -4.379 1.00 0.00 C ATOM 806 O ARG A 78 -17.468 -2.485 -4.706 1.00 0.00 O ATOM 807 CB ARG A 78 -20.343 -2.354 -3.072 1.00 0.00 C ATOM 808 CG ARG A 78 -21.157 -2.399 -1.788 1.00 0.00 C ATOM 809 CD ARG A 78 -21.485 -3.828 -1.388 1.00 0.00 C ATOM 810 NE ARG A 78 -22.348 -3.887 -0.211 1.00 0.00 N ATOM 811 CZ ARG A 78 -22.382 -4.912 0.640 1.00 0.00 C ATOM 812 NH1 ARG A 78 -21.618 -5.981 0.440 1.00 0.00 N ATOM 813 NH2 ARG A 78 -23.193 -4.872 1.685 1.00 0.00 N ATOM 0 H ARG A 78 -18.014 -1.465 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.222 -4.127 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.134 -1.314 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.942 -2.763 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.601 -1.914 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.081 -1.836 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.974 -4.333 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -20.560 -4.368 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.963 -3.094 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.999 -6.021 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.650 -6.761 1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.789 -4.059 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.222 -5.655 2.338 1.00 0.00 H new ATOM 827 N ASN A 79 -18.905 -4.165 -5.175 1.00 0.00 N ATOM 828 CA ASN A 79 -18.430 -4.381 -6.545 1.00 0.00 C ATOM 829 C ASN A 79 -16.949 -4.738 -6.554 1.00 0.00 C ATOM 830 O ASN A 79 -16.178 -4.226 -7.365 1.00 0.00 O ATOM 831 CB ASN A 79 -18.674 -3.144 -7.425 1.00 0.00 C ATOM 832 CG ASN A 79 -20.121 -2.973 -7.856 1.00 0.00 C ATOM 833 OD1 ASN A 79 -20.396 -2.444 -8.935 1.00 0.00 O ATOM 834 ND2 ASN A 79 -21.058 -3.395 -7.023 1.00 0.00 N ATOM 0 H ASN A 79 -19.655 -4.796 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.998 -5.214 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -18.360 -2.254 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -18.046 -3.212 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -22.043 -3.287 -7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -20.796 -3.829 -6.138 1.00 0.00 H new ATOM 841 N TYR A 80 -16.559 -5.616 -5.643 1.00 0.00 N ATOM 842 CA TYR A 80 -15.162 -6.000 -5.510 1.00 0.00 C ATOM 843 C TYR A 80 -14.844 -7.179 -6.423 1.00 0.00 C ATOM 844 O TYR A 80 -15.652 -8.096 -6.576 1.00 0.00 O ATOM 845 CB TYR A 80 -14.836 -6.359 -4.051 1.00 0.00 C ATOM 846 CG TYR A 80 -15.474 -7.646 -3.567 1.00 0.00 C ATOM 847 CD1 TYR A 80 -16.799 -7.677 -3.152 1.00 0.00 C ATOM 848 CD2 TYR A 80 -14.748 -8.831 -3.526 1.00 0.00 C ATOM 849 CE1 TYR A 80 -17.381 -8.851 -2.712 1.00 0.00 C ATOM 850 CE2 TYR A 80 -15.324 -10.008 -3.087 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.641 -10.011 -2.683 1.00 0.00 C ATOM 852 OH TYR A 80 -17.220 -11.181 -2.245 1.00 0.00 O ATOM 0 H TYR A 80 -17.189 -6.076 -4.986 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.545 -5.151 -5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.754 -6.440 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -15.161 -5.542 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -17.384 -6.769 -3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -13.716 -8.832 -3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.413 -8.858 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -14.745 -10.920 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 80 -16.563 -11.907 -2.288 1.00 0.00 H new ATOM 862 N PRO A 81 -13.671 -7.147 -7.064 1.00 0.00 N ATOM 863 CA PRO A 81 -13.183 -8.268 -7.867 1.00 0.00 C ATOM 864 C PRO A 81 -12.862 -9.479 -6.995 1.00 0.00 C ATOM 865 O PRO A 81 -12.338 -9.331 -5.888 1.00 0.00 O ATOM 866 CB PRO A 81 -11.909 -7.717 -8.517 1.00 0.00 C ATOM 867 CG PRO A 81 -11.482 -6.587 -7.646 1.00 0.00 C ATOM 868 CD PRO A 81 -12.738 -6.009 -7.067 1.00 0.00 C ATOM 0 HA PRO A 81 -13.920 -8.614 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.135 -8.482 -8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.101 -7.378 -9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.814 -6.934 -6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.937 -5.838 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.575 -5.621 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.115 -5.183 -7.670 1.00 0.00 H new ATOM 876 N GLU A 82 -13.193 -10.671 -7.480 1.00 0.00 N ATOM 877 CA GLU A 82 -12.924 -11.892 -6.732 1.00 0.00 C ATOM 878 C GLU A 82 -11.425 -12.085 -6.571 1.00 0.00 C ATOM 879 O GLU A 82 -10.682 -12.116 -7.557 1.00 0.00 O ATOM 880 CB GLU A 82 -13.533 -13.124 -7.412 1.00 0.00 C ATOM 881 CG GLU A 82 -15.051 -13.095 -7.524 1.00 0.00 C ATOM 882 CD GLU A 82 -15.540 -12.331 -8.735 1.00 0.00 C ATOM 883 OE1 GLU A 82 -15.792 -11.112 -8.621 1.00 0.00 O ATOM 884 OE2 GLU A 82 -15.677 -12.947 -9.812 1.00 0.00 O ATOM 0 H GLU A 82 -13.645 -10.817 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.390 -11.786 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.109 -13.219 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.239 -14.014 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.426 -14.117 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.468 -12.643 -6.624 1.00 0.00 H new ATOM 891 N GLY A 83 -10.985 -12.208 -5.327 1.00 0.00 N ATOM 892 CA GLY A 83 -9.568 -12.324 -5.048 1.00 0.00 C ATOM 893 C GLY A 83 -8.861 -10.988 -5.146 1.00 0.00 C ATOM 894 O GLY A 83 -7.632 -10.927 -5.138 1.00 0.00 O ATOM 0 H GLY A 83 -11.586 -12.230 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.427 -12.736 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.116 -13.026 -5.749 1.00 0.00 H new ATOM 898 N GLY A 84 -9.645 -9.919 -5.254 1.00 0.00 N ATOM 899 CA GLY A 84 -9.089 -8.588 -5.374 1.00 0.00 C ATOM 900 C GLY A 84 -8.239 -8.437 -6.618 1.00 0.00 C ATOM 901 O GLY A 84 -8.737 -8.530 -7.741 1.00 0.00 O ATOM 0 H GLY A 84 -10.664 -9.955 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.898 -7.858 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.485 -8.367 -4.494 1.00 0.00 H new ATOM 905 N TYR A 85 -6.953 -8.213 -6.411 1.00 0.00 N ATOM 906 CA TYR A 85 -5.994 -8.105 -7.498 1.00 0.00 C ATOM 907 C TYR A 85 -4.844 -9.077 -7.262 1.00 0.00 C ATOM 908 O TYR A 85 -4.134 -9.466 -8.191 1.00 0.00 O ATOM 909 CB TYR A 85 -5.449 -6.678 -7.591 1.00 0.00 C ATOM 910 CG TYR A 85 -6.523 -5.619 -7.677 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.232 -5.412 -8.852 1.00 0.00 C ATOM 912 CD2 TYR A 85 -6.830 -4.827 -6.576 1.00 0.00 C ATOM 913 CE1 TYR A 85 -8.215 -4.447 -8.927 1.00 0.00 C ATOM 914 CE2 TYR A 85 -7.810 -3.861 -6.645 1.00 0.00 C ATOM 915 CZ TYR A 85 -8.500 -3.676 -7.820 1.00 0.00 C ATOM 916 OH TYR A 85 -9.477 -2.713 -7.891 1.00 0.00 O ATOM 0 H TYR A 85 -6.543 -8.101 -5.484 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.495 -8.350 -8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.825 -6.480 -6.719 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.805 -6.601 -8.467 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.011 -6.015 -9.720 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.291 -4.972 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.758 -4.296 -9.848 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.035 -3.253 -5.781 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.554 -2.260 -7.025 1.00 0.00 H new ATOM 926 N ILE A 86 -4.675 -9.467 -6.006 1.00 0.00 N ATOM 927 CA ILE A 86 -3.615 -10.379 -5.605 1.00 0.00 C ATOM 928 C ILE A 86 -4.193 -11.460 -4.689 1.00 0.00 C ATOM 929 O ILE A 86 -5.026 -11.176 -3.835 1.00 0.00 O ATOM 930 CB ILE A 86 -2.465 -9.615 -4.898 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.330 -10.567 -4.506 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.981 -8.864 -3.677 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.132 -9.871 -3.894 1.00 0.00 C ATOM 0 H ILE A 86 -5.270 -9.159 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.198 -10.851 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.067 -8.886 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.713 -11.301 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.007 -11.116 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.156 -8.336 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.741 -8.146 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.416 -9.572 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.629 -10.610 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.278 -9.156 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.439 -9.345 -2.990 1.00 0.00 H new ATOM 945 N ARG A 87 -3.763 -12.701 -4.893 1.00 0.00 N ATOM 946 CA ARG A 87 -4.343 -13.846 -4.189 1.00 0.00 C ATOM 947 C ARG A 87 -3.933 -13.885 -2.722 1.00 0.00 C ATOM 948 O ARG A 87 -4.588 -14.535 -1.905 1.00 0.00 O ATOM 949 CB ARG A 87 -3.942 -15.160 -4.860 1.00 0.00 C ATOM 950 CG ARG A 87 -4.432 -15.303 -6.291 1.00 0.00 C ATOM 951 CD ARG A 87 -4.205 -16.715 -6.809 1.00 0.00 C ATOM 952 NE ARG A 87 -4.999 -17.697 -6.071 1.00 0.00 N ATOM 953 CZ ARG A 87 -4.487 -18.665 -5.307 1.00 0.00 C ATOM 954 NH1 ARG A 87 -3.172 -18.798 -5.176 1.00 0.00 N ATOM 955 NH2 ARG A 87 -5.297 -19.503 -4.675 1.00 0.00 N ATOM 0 H ARG A 87 -3.013 -12.943 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.425 -13.726 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.855 -15.243 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.331 -15.990 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.493 -15.060 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.911 -14.590 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.463 -16.760 -7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.148 -16.967 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.015 -17.638 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.544 -18.157 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.790 -19.541 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.308 -19.407 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.909 -20.244 -4.091 1.00 0.00 H new ATOM 969 N ARG A 88 -2.844 -13.209 -2.397 1.00 0.00 N ATOM 970 CA ARG A 88 -2.295 -13.241 -1.049 1.00 0.00 C ATOM 971 C ARG A 88 -2.051 -11.825 -0.543 1.00 0.00 C ATOM 972 O ARG A 88 -1.945 -10.891 -1.334 1.00 0.00 O ATOM 973 CB ARG A 88 -0.973 -14.014 -1.043 1.00 0.00 C ATOM 974 CG ARG A 88 -1.114 -15.497 -1.344 1.00 0.00 C ATOM 975 CD ARG A 88 0.244 -16.151 -1.553 1.00 0.00 C ATOM 976 NE ARG A 88 1.158 -15.906 -0.438 1.00 0.00 N ATOM 977 CZ ARG A 88 2.478 -16.085 -0.503 1.00 0.00 C ATOM 978 NH1 ARG A 88 3.042 -16.524 -1.623 1.00 0.00 N ATOM 979 NH2 ARG A 88 3.239 -15.818 0.552 1.00 0.00 N ATOM 0 H ARG A 88 -2.319 -12.628 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.012 -13.737 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.302 -13.568 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.501 -13.896 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.634 -15.989 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.726 -15.633 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.111 -17.225 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.689 -15.773 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 88 0.762 -15.578 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.465 -16.726 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.052 -16.659 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.814 -15.475 1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.248 -15.955 0.501 1.00 0.00 H new ATOM 993 N LEU A 89 -1.986 -11.675 0.776 1.00 0.00 N ATOM 994 CA LEU A 89 -1.625 -10.401 1.385 1.00 0.00 C ATOM 995 C LEU A 89 -0.258 -9.959 0.885 1.00 0.00 C ATOM 996 O LEU A 89 0.702 -10.727 0.933 1.00 0.00 O ATOM 997 CB LEU A 89 -1.609 -10.520 2.913 1.00 0.00 C ATOM 998 CG LEU A 89 -2.984 -10.623 3.572 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.844 -10.931 5.055 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.761 -9.333 3.370 1.00 0.00 C ATOM 0 H LEU A 89 -2.179 -12.421 1.444 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.370 -9.657 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.026 -11.399 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.091 -9.653 3.324 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.533 -11.439 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.833 -11.001 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.320 -11.878 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.279 -10.135 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.739 -9.419 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.213 -8.504 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.890 -9.149 2.303 1.00 0.00 H new ATOM 1012 N PRO A 90 -0.156 -8.717 0.391 1.00 0.00 N ATOM 1013 CA PRO A 90 1.069 -8.216 -0.234 1.00 0.00 C ATOM 1014 C PRO A 90 2.267 -8.241 0.709 1.00 0.00 C ATOM 1015 O PRO A 90 2.238 -7.660 1.797 1.00 0.00 O ATOM 1016 CB PRO A 90 0.714 -6.776 -0.627 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.461 -6.423 0.218 1.00 0.00 C ATOM 1018 CD PRO A 90 -1.219 -7.703 0.411 1.00 0.00 C ATOM 0 HA PRO A 90 1.371 -8.836 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.549 -6.100 -0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.473 -6.705 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.145 -6.007 1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.081 -5.670 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.767 -7.710 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.948 -7.865 -0.383 1.00 0.00 H new ATOM 1026 N GLN A 91 3.318 -8.918 0.272 1.00 0.00 N ATOM 1027 CA GLN A 91 4.553 -9.015 1.032 1.00 0.00 C ATOM 1028 C GLN A 91 5.734 -8.616 0.168 1.00 0.00 C ATOM 1029 O GLN A 91 5.784 -8.942 -1.019 1.00 0.00 O ATOM 1030 CB GLN A 91 4.761 -10.439 1.545 1.00 0.00 C ATOM 1031 CG GLN A 91 3.866 -10.807 2.711 1.00 0.00 C ATOM 1032 CD GLN A 91 4.093 -12.224 3.190 1.00 0.00 C ATOM 1033 OE1 GLN A 91 5.192 -12.769 3.067 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.064 -12.822 3.757 1.00 0.00 N ATOM 0 H GLN A 91 3.338 -9.415 -0.619 1.00 0.00 H new ATOM 0 HA GLN A 91 4.480 -8.338 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.584 -11.139 0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.802 -10.558 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.044 -10.115 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.823 -10.689 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.172 -12.334 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.160 -13.773 4.114 1.00 0.00 H new ATOM 1043 N ASP A 92 6.671 -7.897 0.766 1.00 0.00 N ATOM 1044 CA ASP A 92 7.890 -7.496 0.080 1.00 0.00 C ATOM 1045 C ASP A 92 8.764 -8.717 -0.183 1.00 0.00 C ATOM 1046 O ASP A 92 8.596 -9.733 0.493 1.00 0.00 O ATOM 1047 CB ASP A 92 8.665 -6.419 0.865 1.00 0.00 C ATOM 1048 CG ASP A 92 9.024 -6.815 2.289 1.00 0.00 C ATOM 1049 OD1 ASP A 92 8.774 -6.004 3.206 1.00 0.00 O ATOM 1050 OD2 ASP A 92 9.558 -7.928 2.496 1.00 0.00 O ATOM 0 H ASP A 92 6.610 -7.577 1.733 1.00 0.00 H new ATOM 0 HA ASP A 92 7.609 -7.050 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.582 -6.182 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.068 -5.508 0.894 1.00 0.00 H new ATOM 1055 N PRO A 93 9.648 -8.677 -1.194 1.00 0.00 N ATOM 1056 CA PRO A 93 10.505 -9.820 -1.551 1.00 0.00 C ATOM 1057 C PRO A 93 11.148 -10.508 -0.342 1.00 0.00 C ATOM 1058 O PRO A 93 11.350 -11.725 -0.342 1.00 0.00 O ATOM 1059 CB PRO A 93 11.582 -9.175 -2.420 1.00 0.00 C ATOM 1060 CG PRO A 93 10.898 -8.027 -3.071 1.00 0.00 C ATOM 1061 CD PRO A 93 9.884 -7.519 -2.079 1.00 0.00 C ATOM 0 HA PRO A 93 9.933 -10.610 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.430 -8.844 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.969 -9.877 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.612 -7.246 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.414 -8.337 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.263 -6.661 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.966 -7.199 -2.573 1.00 0.00 H new ATOM 1069 N TRP A 94 11.434 -9.734 0.697 1.00 0.00 N ATOM 1070 CA TRP A 94 12.119 -10.248 1.876 1.00 0.00 C ATOM 1071 C TRP A 94 11.161 -11.030 2.776 1.00 0.00 C ATOM 1072 O TRP A 94 11.589 -11.816 3.622 1.00 0.00 O ATOM 1073 CB TRP A 94 12.767 -9.093 2.637 1.00 0.00 C ATOM 1074 CG TRP A 94 13.641 -8.250 1.758 1.00 0.00 C ATOM 1075 CD1 TRP A 94 14.872 -8.580 1.267 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.347 -6.941 1.255 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.358 -7.557 0.491 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.443 -6.540 0.469 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.264 -6.069 1.394 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.486 -5.306 -0.175 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.308 -4.845 0.754 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.413 -4.474 -0.022 1.00 0.00 C ATOM 0 H TRP A 94 11.201 -8.742 0.747 1.00 0.00 H new ATOM 0 HA TRP A 94 12.897 -10.940 1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.989 -8.469 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.360 -9.491 3.460 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.387 -9.509 1.461 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.257 -7.555 0.008 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.408 -6.347 1.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.337 -5.017 -0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.476 -4.163 0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.417 -3.510 -0.510 1.00 0.00 H new ATOM 1093 N GLY A 95 9.868 -10.805 2.597 1.00 0.00 N ATOM 1094 CA GLY A 95 8.873 -11.607 3.280 1.00 0.00 C ATOM 1095 C GLY A 95 8.108 -10.847 4.340 1.00 0.00 C ATOM 1096 O GLY A 95 7.534 -11.451 5.248 1.00 0.00 O ATOM 0 H GLY A 95 9.489 -10.079 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.169 -12.000 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.363 -12.464 3.742 1.00 0.00 H new ATOM 1100 N SER A 96 8.097 -9.530 4.246 1.00 0.00 N ATOM 1101 CA SER A 96 7.361 -8.723 5.201 1.00 0.00 C ATOM 1102 C SER A 96 6.059 -8.220 4.586 1.00 0.00 C ATOM 1103 O SER A 96 6.038 -7.741 3.452 1.00 0.00 O ATOM 1104 CB SER A 96 8.211 -7.543 5.658 1.00 0.00 C ATOM 1105 OG SER A 96 9.541 -7.948 5.949 1.00 0.00 O ATOM 0 H SER A 96 8.585 -9.000 3.524 1.00 0.00 H new ATOM 0 HA SER A 96 7.122 -9.344 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.223 -6.778 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.764 -7.091 6.544 1.00 0.00 H new ATOM 0 HG SER A 96 10.148 -7.189 5.826 1.00 0.00 H new ATOM 1111 N ASP A 97 4.974 -8.355 5.333 1.00 0.00 N ATOM 1112 CA ASP A 97 3.675 -7.847 4.904 1.00 0.00 C ATOM 1113 C ASP A 97 3.706 -6.328 4.936 1.00 0.00 C ATOM 1114 O ASP A 97 4.096 -5.743 5.947 1.00 0.00 O ATOM 1115 CB ASP A 97 2.562 -8.354 5.831 1.00 0.00 C ATOM 1116 CG ASP A 97 2.514 -9.868 5.953 1.00 0.00 C ATOM 1117 OD1 ASP A 97 1.591 -10.493 5.383 1.00 0.00 O ATOM 1118 OD2 ASP A 97 3.382 -10.436 6.647 1.00 0.00 O ATOM 0 H ASP A 97 4.965 -8.814 6.244 1.00 0.00 H new ATOM 0 HA ASP A 97 3.471 -8.200 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.701 -7.922 6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.601 -7.997 5.460 1.00 0.00 H new ATOM 1123 N TYR A 98 3.309 -5.692 3.834 1.00 0.00 N ATOM 1124 CA TYR A 98 3.330 -4.230 3.748 1.00 0.00 C ATOM 1125 C TYR A 98 2.436 -3.609 4.803 1.00 0.00 C ATOM 1126 O TYR A 98 1.628 -4.287 5.430 1.00 0.00 O ATOM 1127 CB TYR A 98 2.876 -3.732 2.376 1.00 0.00 C ATOM 1128 CG TYR A 98 3.841 -4.036 1.253 1.00 0.00 C ATOM 1129 CD1 TYR A 98 4.733 -3.071 0.803 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.866 -5.280 0.646 1.00 0.00 C ATOM 1131 CE1 TYR A 98 5.623 -3.342 -0.219 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.750 -5.558 -0.375 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.626 -4.589 -0.804 1.00 0.00 C ATOM 1134 OH TYR A 98 6.513 -4.870 -1.818 1.00 0.00 O ATOM 0 H TYR A 98 2.971 -6.161 2.994 1.00 0.00 H new ATOM 0 HA TYR A 98 4.365 -3.928 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.911 -4.180 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.723 -2.654 2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.731 -2.092 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.181 -6.046 0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.311 -2.581 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.754 -6.534 -0.837 1.00 0.00 H new ATOM 0 HH TYR A 98 6.373 -5.788 -2.130 1.00 0.00 H new ATOM 1144 N GLN A 99 2.566 -2.311 4.973 1.00 0.00 N ATOM 1145 CA GLN A 99 1.827 -1.611 6.001 1.00 0.00 C ATOM 1146 C GLN A 99 1.136 -0.383 5.440 1.00 0.00 C ATOM 1147 O GLN A 99 1.702 0.358 4.632 1.00 0.00 O ATOM 1148 CB GLN A 99 2.753 -1.211 7.150 1.00 0.00 C ATOM 1149 CG GLN A 99 3.382 -2.398 7.859 1.00 0.00 C ATOM 1150 CD GLN A 99 2.353 -3.303 8.509 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.305 -2.846 8.969 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.631 -4.595 8.526 1.00 0.00 N ATOM 0 H GLN A 99 3.178 -1.718 4.412 1.00 0.00 H new ATOM 0 HA GLN A 99 1.063 -2.290 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.543 -0.568 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.189 -0.622 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.967 -2.975 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.074 -2.037 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.510 -4.933 8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.966 -5.254 8.930 1.00 0.00 H new ATOM 1161 N LEU A 100 -0.096 -0.196 5.868 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.869 0.984 5.541 1.00 0.00 C ATOM 1163 C LEU A 100 -1.185 1.697 6.846 1.00 0.00 C ATOM 1164 O LEU A 100 -1.757 1.102 7.748 1.00 0.00 O ATOM 1165 CB LEU A 100 -2.152 0.563 4.793 1.00 0.00 C ATOM 1166 CG LEU A 100 -3.096 1.689 4.327 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -3.934 2.231 5.472 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.313 2.814 3.681 1.00 0.00 C ATOM 0 H LEU A 100 -0.593 -0.864 6.457 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.318 1.659 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.858 -0.016 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.718 -0.106 5.442 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.772 1.257 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.586 3.023 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.540 1.428 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.278 2.632 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.999 3.597 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.605 3.225 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.771 2.430 2.817 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.798 2.949 6.973 1.00 0.00 N ATOM 1181 CA LEU A 101 -0.999 3.645 8.231 1.00 0.00 C ATOM 1182 C LEU A 101 -1.817 4.912 8.032 1.00 0.00 C ATOM 1183 O LEU A 101 -1.395 5.832 7.335 1.00 0.00 O ATOM 1184 CB LEU A 101 0.360 3.960 8.873 1.00 0.00 C ATOM 1185 CG LEU A 101 0.347 4.256 10.383 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.235 5.631 10.677 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.429 3.178 11.133 1.00 0.00 C ATOM 0 H LEU A 101 -0.351 3.498 6.239 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.562 2.997 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.026 3.116 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.790 4.820 8.359 1.00 0.00 H new ATOM 0 HG LEU A 101 1.380 4.251 10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.229 5.806 11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.366 6.394 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.259 5.679 10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.428 3.404 12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.456 3.150 10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.041 2.209 10.967 1.00 0.00 H new ATOM 1199 N SER A 102 -3.011 4.918 8.604 1.00 0.00 N ATOM 1200 CA SER A 102 -3.820 6.120 8.692 1.00 0.00 C ATOM 1201 C SER A 102 -3.811 6.635 10.137 1.00 0.00 C ATOM 1202 O SER A 102 -3.934 5.843 11.075 1.00 0.00 O ATOM 1203 CB SER A 102 -5.250 5.830 8.230 1.00 0.00 C ATOM 1204 OG SER A 102 -5.977 7.029 8.026 1.00 0.00 O ATOM 0 H SER A 102 -3.444 4.092 9.018 1.00 0.00 H new ATOM 0 HA SER A 102 -3.402 6.887 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.226 5.255 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.758 5.216 8.974 1.00 0.00 H new ATOM 0 HG SER A 102 -6.886 6.814 7.730 1.00 0.00 H new ATOM 1210 N PRO A 103 -3.639 7.953 10.355 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.393 8.924 9.287 1.00 0.00 C ATOM 1212 C PRO A 103 -1.979 8.806 8.729 1.00 0.00 C ATOM 1213 O PRO A 103 -1.013 8.642 9.476 1.00 0.00 O ATOM 1214 CB PRO A 103 -3.588 10.272 9.982 1.00 0.00 C ATOM 1215 CG PRO A 103 -3.264 10.012 11.411 1.00 0.00 C ATOM 1216 CD PRO A 103 -3.682 8.593 11.683 1.00 0.00 C ATOM 0 HA PRO A 103 -4.053 8.777 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.932 11.033 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.610 10.632 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.199 10.147 11.600 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.794 10.706 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.006 8.104 12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.681 8.546 12.117 1.00 0.00 H new ATOM 1224 N GLY A 104 -1.875 8.890 7.416 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.612 8.685 6.745 1.00 0.00 C ATOM 1226 C GLY A 104 0.450 9.684 7.135 1.00 0.00 C ATOM 1227 O GLY A 104 0.169 10.867 7.322 1.00 0.00 O ATOM 0 H GLY A 104 -2.655 9.100 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.252 7.680 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.770 8.737 5.668 1.00 0.00 H new ATOM 1231 N GLN A 105 1.674 9.202 7.246 1.00 0.00 N ATOM 1232 CA GLN A 105 2.812 10.051 7.555 1.00 0.00 C ATOM 1233 C GLN A 105 3.085 11.011 6.399 1.00 0.00 C ATOM 1234 O GLN A 105 3.714 12.053 6.574 1.00 0.00 O ATOM 1235 CB GLN A 105 4.041 9.181 7.830 1.00 0.00 C ATOM 1236 CG GLN A 105 5.274 9.956 8.265 1.00 0.00 C ATOM 1237 CD GLN A 105 6.454 9.047 8.534 1.00 0.00 C ATOM 1238 OE1 GLN A 105 6.283 7.893 8.926 1.00 0.00 O ATOM 1239 NE2 GLN A 105 7.657 9.556 8.335 1.00 0.00 N ATOM 0 H GLN A 105 1.908 8.217 7.125 1.00 0.00 H new ATOM 0 HA GLN A 105 2.589 10.641 8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.791 8.455 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.281 8.617 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.541 10.676 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.044 10.526 9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.756 10.517 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.486 8.987 8.507 1.00 0.00 H new ATOM 1248 N HIS A 106 2.599 10.656 5.214 1.00 0.00 N ATOM 1249 CA HIS A 106 2.823 11.470 4.026 1.00 0.00 C ATOM 1250 C HIS A 106 1.506 11.798 3.329 1.00 0.00 C ATOM 1251 O HIS A 106 1.458 11.943 2.106 1.00 0.00 O ATOM 1252 CB HIS A 106 3.763 10.749 3.053 1.00 0.00 C ATOM 1253 CG HIS A 106 5.092 10.397 3.648 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.454 9.106 3.964 1.00 0.00 N ATOM 1255 CD2 HIS A 106 6.149 11.174 3.982 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.673 9.102 4.465 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.120 10.343 4.487 1.00 0.00 N ATOM 0 H HIS A 106 2.049 9.812 5.052 1.00 0.00 H new ATOM 0 HA HIS A 106 3.286 12.404 4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.279 9.837 2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.922 11.381 2.180 1.00 0.00 H new ATOM 0 HD1 HIS A 106 4.869 8.281 3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 106 6.217 12.246 3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 106 7.215 8.230 4.801 1.00 0.00 H new ATOM 1266 N GLY A 107 0.440 11.918 4.109 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.864 12.224 3.547 1.00 0.00 C ATOM 1268 C GLY A 107 -1.988 11.700 4.414 1.00 0.00 C ATOM 1269 O GLY A 107 -1.839 11.604 5.630 1.00 0.00 O ATOM 0 H GLY A 107 0.454 11.809 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.966 13.303 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.941 11.789 2.550 1.00 0.00 H new ATOM 1273 N GLN A 108 -3.113 11.356 3.801 1.00 0.00 N ATOM 1274 CA GLN A 108 -4.236 10.787 4.540 1.00 0.00 C ATOM 1275 C GLN A 108 -3.915 9.353 4.940 1.00 0.00 C ATOM 1276 O GLN A 108 -4.221 8.922 6.051 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.519 10.830 3.704 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.742 10.289 4.435 1.00 0.00 C ATOM 1279 CD GLN A 108 -7.063 11.063 5.699 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -7.812 12.038 5.667 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.506 10.632 6.819 1.00 0.00 N ATOM 0 H GLN A 108 -3.273 11.460 2.799 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.398 11.383 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.712 11.860 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.367 10.254 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.602 10.321 3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.574 9.242 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.890 9.819 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.692 11.113 7.699 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.287 8.631 4.026 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.820 7.278 4.282 1.00 0.00 C ATOM 1292 C VAL A 109 -1.383 7.125 3.797 1.00 0.00 C ATOM 1293 O VAL A 109 -0.958 7.818 2.872 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.702 6.212 3.596 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -5.015 6.025 4.337 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.955 6.577 2.141 1.00 0.00 C ATOM 0 H VAL A 109 -3.086 8.967 3.084 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.878 7.118 5.359 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.163 5.265 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.614 5.269 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.814 5.704 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.561 6.968 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.578 5.812 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.464 7.540 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.004 6.641 1.611 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.632 6.239 4.432 1.00 0.00 N ATOM 1307 CA ASP A 110 0.768 6.042 4.083 1.00 0.00 C ATOM 1308 C ASP A 110 1.069 4.559 3.907 1.00 0.00 C ATOM 1309 O ASP A 110 0.823 3.759 4.808 1.00 0.00 O ATOM 1310 CB ASP A 110 1.664 6.642 5.171 1.00 0.00 C ATOM 1311 CG ASP A 110 3.126 6.698 4.779 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.452 7.386 3.790 1.00 0.00 O ATOM 1313 OD2 ASP A 110 3.958 6.092 5.478 1.00 0.00 O ATOM 0 H ASP A 110 -0.967 5.645 5.191 1.00 0.00 H new ATOM 0 HA ASP A 110 0.970 6.547 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.318 7.649 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.562 6.053 6.082 1.00 0.00 H new ATOM 1318 N ILE A 111 1.571 4.197 2.733 1.00 0.00 N ATOM 1319 CA ILE A 111 1.939 2.813 2.447 1.00 0.00 C ATOM 1320 C ILE A 111 3.454 2.656 2.427 1.00 0.00 C ATOM 1321 O ILE A 111 4.157 3.431 1.770 1.00 0.00 O ATOM 1322 CB ILE A 111 1.363 2.319 1.097 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.659 3.317 -0.028 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.130 2.074 1.210 1.00 0.00 C ATOM 1325 CD1 ILE A 111 1.116 2.893 -1.375 1.00 0.00 C ATOM 0 H ILE A 111 1.734 4.843 1.961 1.00 0.00 H new ATOM 0 HA ILE A 111 1.510 2.205 3.244 1.00 0.00 H new ATOM 0 HB ILE A 111 1.851 1.376 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.235 4.286 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.738 3.452 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.515 1.728 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.318 1.317 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.631 3.001 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.364 3.648 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.559 1.940 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.033 2.786 -1.313 1.00 0.00 H new ATOM 1337 N PHE A 112 3.949 1.667 3.162 1.00 0.00 N ATOM 1338 CA PHE A 112 5.384 1.421 3.248 1.00 0.00 C ATOM 1339 C PHE A 112 5.679 -0.055 3.505 1.00 0.00 C ATOM 1340 O PHE A 112 4.804 -0.811 3.934 1.00 0.00 O ATOM 1341 CB PHE A 112 6.011 2.290 4.349 1.00 0.00 C ATOM 1342 CG PHE A 112 5.377 2.130 5.706 1.00 0.00 C ATOM 1343 CD1 PHE A 112 5.935 1.285 6.652 1.00 0.00 C ATOM 1344 CD2 PHE A 112 4.232 2.836 6.039 1.00 0.00 C ATOM 1345 CE1 PHE A 112 5.361 1.146 7.901 1.00 0.00 C ATOM 1346 CE2 PHE A 112 3.653 2.699 7.284 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.220 1.854 8.218 1.00 0.00 C ATOM 0 H PHE A 112 3.378 1.022 3.707 1.00 0.00 H new ATOM 0 HA PHE A 112 5.828 1.691 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.071 2.048 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.944 3.336 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.829 0.729 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.787 3.502 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.805 0.483 8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.758 3.252 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.771 1.748 9.195 1.00 0.00 H new ATOM 1357 N SER A 113 6.910 -0.455 3.217 1.00 0.00 N ATOM 1358 CA SER A 113 7.379 -1.803 3.497 1.00 0.00 C ATOM 1359 C SER A 113 8.439 -1.755 4.589 1.00 0.00 C ATOM 1360 O SER A 113 9.160 -0.766 4.721 1.00 0.00 O ATOM 1361 CB SER A 113 7.955 -2.437 2.228 1.00 0.00 C ATOM 1362 OG SER A 113 8.954 -1.612 1.654 1.00 0.00 O ATOM 0 H SER A 113 7.610 0.146 2.783 1.00 0.00 H new ATOM 0 HA SER A 113 6.541 -2.411 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.377 -3.413 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.156 -2.602 1.505 1.00 0.00 H new ATOM 0 HG SER A 113 8.564 -0.746 1.413 1.00 0.00 H new ATOM 1368 N LEU A 114 8.534 -2.829 5.358 1.00 0.00 N ATOM 1369 CA LEU A 114 9.406 -2.860 6.525 1.00 0.00 C ATOM 1370 C LEU A 114 10.844 -3.100 6.113 1.00 0.00 C ATOM 1371 O LEU A 114 11.781 -2.790 6.858 1.00 0.00 O ATOM 1372 CB LEU A 114 8.982 -3.961 7.505 1.00 0.00 C ATOM 1373 CG LEU A 114 7.566 -3.849 8.090 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.265 -2.425 8.511 1.00 0.00 C ATOM 1375 CD2 LEU A 114 6.520 -4.346 7.108 1.00 0.00 C ATOM 0 H LEU A 114 8.017 -3.693 5.195 1.00 0.00 H new ATOM 0 HA LEU A 114 9.322 -1.891 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 114 9.066 -4.921 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.693 -3.974 8.331 1.00 0.00 H new ATOM 0 HG LEU A 114 7.526 -4.485 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.257 -2.372 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.982 -2.110 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.339 -1.766 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.529 -4.253 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.565 -3.751 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.713 -5.392 6.869 1.00 0.00 H new ATOM 1387 N GLY A 115 10.999 -3.678 4.930 1.00 0.00 N ATOM 1388 CA GLY A 115 12.308 -4.003 4.434 1.00 0.00 C ATOM 1389 C GLY A 115 12.822 -5.294 5.028 1.00 0.00 C ATOM 1390 O GLY A 115 12.091 -5.999 5.725 1.00 0.00 O ATOM 0 H GLY A 115 10.231 -3.927 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.275 -4.089 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.999 -3.193 4.669 1.00 0.00 H new ATOM 1394 N PRO A 116 14.088 -5.621 4.776 1.00 0.00 N ATOM 1395 CA PRO A 116 14.708 -6.846 5.273 1.00 0.00 C ATOM 1396 C PRO A 116 14.886 -6.828 6.787 1.00 0.00 C ATOM 1397 O PRO A 116 14.962 -7.878 7.426 1.00 0.00 O ATOM 1398 CB PRO A 116 16.078 -6.881 4.581 1.00 0.00 C ATOM 1399 CG PRO A 116 16.024 -5.833 3.518 1.00 0.00 C ATOM 1400 CD PRO A 116 15.015 -4.821 3.973 1.00 0.00 C ATOM 0 HA PRO A 116 14.091 -7.719 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.880 -6.677 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.274 -7.864 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.001 -5.371 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.735 -6.266 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.476 -4.027 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.513 -4.345 3.131 1.00 0.00 H new ATOM 1408 N ASP A 117 14.942 -5.632 7.365 1.00 0.00 N ATOM 1409 CA ASP A 117 15.231 -5.491 8.788 1.00 0.00 C ATOM 1410 C ASP A 117 13.951 -5.527 9.620 1.00 0.00 C ATOM 1411 O ASP A 117 13.998 -5.649 10.845 1.00 0.00 O ATOM 1412 CB ASP A 117 15.998 -4.189 9.043 1.00 0.00 C ATOM 1413 CG ASP A 117 15.108 -2.968 9.231 1.00 0.00 C ATOM 1414 OD1 ASP A 117 15.467 -2.117 10.075 1.00 0.00 O ATOM 1415 OD2 ASP A 117 14.049 -2.853 8.560 1.00 0.00 O ATOM 0 H ASP A 117 14.792 -4.751 6.873 1.00 0.00 H new ATOM 0 HA ASP A 117 15.850 -6.334 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.618 -4.313 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.673 -4.008 8.206 1.00 0.00 H new ATOM 1420 N GLY A 118 12.815 -5.417 8.942 1.00 0.00 N ATOM 1421 CA GLY A 118 11.532 -5.564 9.599 1.00 0.00 C ATOM 1422 C GLY A 118 11.149 -4.384 10.478 1.00 0.00 C ATOM 1423 O GLY A 118 10.200 -4.480 11.254 1.00 0.00 O ATOM 0 H GLY A 118 12.761 -5.227 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.761 -5.705 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.549 -6.468 10.208 1.00 0.00 H new ATOM 1427 N VAL A 119 11.868 -3.274 10.376 1.00 0.00 N ATOM 1428 CA VAL A 119 11.571 -2.114 11.217 1.00 0.00 C ATOM 1429 C VAL A 119 10.704 -1.090 10.484 1.00 0.00 C ATOM 1430 O VAL A 119 11.118 -0.525 9.462 1.00 0.00 O ATOM 1431 CB VAL A 119 12.855 -1.439 11.744 1.00 0.00 C ATOM 1432 CG1 VAL A 119 12.521 -0.187 12.545 1.00 0.00 C ATOM 1433 CG2 VAL A 119 13.650 -2.413 12.599 1.00 0.00 C ATOM 0 H VAL A 119 12.649 -3.149 9.732 1.00 0.00 H new ATOM 0 HA VAL A 119 11.010 -2.491 12.072 1.00 0.00 H new ATOM 0 HB VAL A 119 13.461 -1.145 10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.442 0.271 12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.989 0.521 11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 119 11.893 -0.455 13.394 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.553 -1.924 12.964 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.043 -2.733 13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.925 -3.282 12.001 1.00 0.00 H new ATOM 1443 N PRO A 120 9.474 -0.863 11.009 1.00 0.00 N ATOM 1444 CA PRO A 120 8.511 0.091 10.440 1.00 0.00 C ATOM 1445 C PRO A 120 8.844 1.547 10.752 1.00 0.00 C ATOM 1446 O PRO A 120 9.454 1.849 11.783 1.00 0.00 O ATOM 1447 CB PRO A 120 7.196 -0.294 11.119 1.00 0.00 C ATOM 1448 CG PRO A 120 7.601 -0.876 12.428 1.00 0.00 C ATOM 1449 CD PRO A 120 8.933 -1.540 12.204 1.00 0.00 C ATOM 0 HA PRO A 120 8.497 0.035 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.552 0.575 11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.638 -1.015 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 120 7.677 -0.101 13.191 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.862 -1.597 12.778 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.590 -1.416 13.065 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.822 -2.612 12.039 1.00 0.00 H new ATOM 1457 N GLU A 121 8.423 2.440 9.851 1.00 0.00 N ATOM 1458 CA GLU A 121 8.588 3.887 10.024 1.00 0.00 C ATOM 1459 C GLU A 121 10.065 4.248 10.095 1.00 0.00 C ATOM 1460 O GLU A 121 10.457 5.251 10.696 1.00 0.00 O ATOM 1461 CB GLU A 121 7.845 4.376 11.275 1.00 0.00 C ATOM 1462 CG GLU A 121 6.334 4.214 11.186 1.00 0.00 C ATOM 1463 CD GLU A 121 5.628 4.598 12.471 1.00 0.00 C ATOM 1464 OE1 GLU A 121 5.415 5.808 12.707 1.00 0.00 O ATOM 1465 OE2 GLU A 121 5.273 3.690 13.250 1.00 0.00 O ATOM 0 H GLU A 121 7.958 2.180 8.981 1.00 0.00 H new ATOM 0 HA GLU A 121 8.153 4.388 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.211 3.827 12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.081 5.427 11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.954 4.829 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.097 3.178 10.942 1.00 0.00 H new ATOM 1472 N SER A 122 10.873 3.421 9.464 1.00 0.00 N ATOM 1473 CA SER A 122 12.310 3.560 9.492 1.00 0.00 C ATOM 1474 C SER A 122 12.847 4.222 8.221 1.00 0.00 C ATOM 1475 O SER A 122 12.081 4.542 7.309 1.00 0.00 O ATOM 1476 CB SER A 122 12.902 2.169 9.665 1.00 0.00 C ATOM 1477 OG SER A 122 12.055 1.192 9.063 1.00 0.00 O ATOM 0 H SER A 122 10.545 2.627 8.913 1.00 0.00 H new ATOM 0 HA SER A 122 12.597 4.209 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.893 2.129 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.026 1.949 10.725 1.00 0.00 H new ATOM 0 HG SER A 122 11.928 1.408 8.116 1.00 0.00 H new ATOM 1483 N ASN A 123 14.158 4.444 8.176 1.00 0.00 N ATOM 1484 CA ASN A 123 14.808 4.948 6.968 1.00 0.00 C ATOM 1485 C ASN A 123 14.760 3.876 5.885 1.00 0.00 C ATOM 1486 O ASN A 123 14.467 4.151 4.720 1.00 0.00 O ATOM 1487 CB ASN A 123 16.261 5.338 7.266 1.00 0.00 C ATOM 1488 CG ASN A 123 17.003 5.851 6.043 1.00 0.00 C ATOM 1489 OD1 ASN A 123 16.415 6.452 5.141 1.00 0.00 O ATOM 1490 ND2 ASN A 123 18.305 5.623 6.010 1.00 0.00 N ATOM 0 H ASN A 123 14.791 4.283 8.960 1.00 0.00 H new ATOM 0 HA ASN A 123 14.281 5.836 6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.274 6.106 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.788 4.472 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 123 18.860 5.948 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.755 5.122 6.776 1.00 0.00 H new ATOM 1497 N ASP A 124 15.012 2.642 6.296 1.00 0.00 N ATOM 1498 CA ASP A 124 14.884 1.495 5.416 1.00 0.00 C ATOM 1499 C ASP A 124 13.454 0.990 5.495 1.00 0.00 C ATOM 1500 O ASP A 124 13.154 -0.072 6.064 1.00 0.00 O ATOM 1501 CB ASP A 124 15.892 0.399 5.784 1.00 0.00 C ATOM 1502 CG ASP A 124 15.757 -0.841 4.921 1.00 0.00 C ATOM 1503 OD1 ASP A 124 16.017 -0.752 3.703 1.00 0.00 O ATOM 1504 OD2 ASP A 124 15.406 -1.910 5.465 1.00 0.00 O ATOM 0 H ASP A 124 15.309 2.411 7.244 1.00 0.00 H new ATOM 0 HA ASP A 124 15.108 1.788 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.903 0.795 5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.756 0.124 6.830 1.00 0.00 H new ATOM 1509 N ASP A 125 12.572 1.844 5.026 1.00 0.00 N ATOM 1510 CA ASP A 125 11.153 1.545 4.886 1.00 0.00 C ATOM 1511 C ASP A 125 10.673 2.064 3.541 1.00 0.00 C ATOM 1512 O ASP A 125 10.269 3.222 3.423 1.00 0.00 O ATOM 1513 CB ASP A 125 10.340 2.198 6.006 1.00 0.00 C ATOM 1514 CG ASP A 125 10.077 1.278 7.185 1.00 0.00 C ATOM 1515 OD1 ASP A 125 8.887 0.964 7.429 1.00 0.00 O ATOM 1516 OD2 ASP A 125 11.045 0.901 7.896 1.00 0.00 O ATOM 0 H ASP A 125 12.820 2.786 4.724 1.00 0.00 H new ATOM 0 HA ASP A 125 11.012 0.466 4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.869 3.083 6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.386 2.537 5.601 1.00 0.00 H new ATOM 1521 N ILE A 126 10.747 1.216 2.527 1.00 0.00 N ATOM 1522 CA ILE A 126 10.409 1.619 1.169 1.00 0.00 C ATOM 1523 C ILE A 126 8.910 1.842 1.035 1.00 0.00 C ATOM 1524 O ILE A 126 8.123 0.896 1.075 1.00 0.00 O ATOM 1525 CB ILE A 126 10.861 0.568 0.135 1.00 0.00 C ATOM 1526 CG1 ILE A 126 12.367 0.325 0.249 1.00 0.00 C ATOM 1527 CG2 ILE A 126 10.499 1.011 -1.277 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.882 -0.737 -0.695 1.00 0.00 C ATOM 0 H ILE A 126 11.038 0.243 2.618 1.00 0.00 H new ATOM 0 HA ILE A 126 10.937 2.551 0.969 1.00 0.00 H new ATOM 0 HB ILE A 126 10.340 -0.366 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.893 1.259 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.603 0.035 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.827 0.255 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.419 1.138 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.992 1.958 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.957 -0.855 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.383 -1.683 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.678 -0.440 -1.724 1.00 0.00 H new ATOM 1540 N GLY A 127 8.522 3.094 0.891 1.00 0.00 N ATOM 1541 CA GLY A 127 7.124 3.416 0.780 1.00 0.00 C ATOM 1542 C GLY A 127 6.831 4.364 -0.361 1.00 0.00 C ATOM 1543 O GLY A 127 7.658 4.554 -1.258 1.00 0.00 O ATOM 0 H GLY A 127 9.153 3.894 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.554 2.498 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.783 3.862 1.714 1.00 0.00 H new ATOM 1547 N ASN A 128 5.656 4.967 -0.306 1.00 0.00 N ATOM 1548 CA ASN A 128 5.166 5.832 -1.373 1.00 0.00 C ATOM 1549 C ASN A 128 6.049 7.064 -1.557 1.00 0.00 C ATOM 1550 O ASN A 128 6.293 7.496 -2.685 1.00 0.00 O ATOM 1551 CB ASN A 128 3.718 6.249 -1.083 1.00 0.00 C ATOM 1552 CG ASN A 128 3.576 7.049 0.202 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.581 8.279 0.184 1.00 0.00 O ATOM 1554 ND2 ASN A 128 3.464 6.357 1.327 1.00 0.00 N ATOM 0 H ASN A 128 5.012 4.873 0.479 1.00 0.00 H new ATOM 0 HA ASN A 128 5.200 5.267 -2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.343 6.842 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.095 5.357 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 128 3.378 6.844 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 128 3.464 5.337 1.301 1.00 0.00 H new ATOM 1561 N TRP A 129 6.546 7.608 -0.455 1.00 0.00 N ATOM 1562 CA TRP A 129 7.355 8.816 -0.500 1.00 0.00 C ATOM 1563 C TRP A 129 8.778 8.486 -0.933 1.00 0.00 C ATOM 1564 O TRP A 129 9.468 9.324 -1.515 1.00 0.00 O ATOM 1565 CB TRP A 129 7.363 9.501 0.865 1.00 0.00 C ATOM 1566 CG TRP A 129 7.854 10.912 0.816 1.00 0.00 C ATOM 1567 CD1 TRP A 129 9.128 11.347 1.031 1.00 0.00 C ATOM 1568 CD2 TRP A 129 7.072 12.077 0.531 1.00 0.00 C ATOM 1569 NE1 TRP A 129 9.186 12.710 0.892 1.00 0.00 N ATOM 1570 CE2 TRP A 129 7.938 13.182 0.588 1.00 0.00 C ATOM 1571 CE3 TRP A 129 5.723 12.291 0.230 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 7.499 14.485 0.359 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 5.289 13.583 0.002 1.00 0.00 C ATOM 1574 CH2 TRP A 129 6.174 14.665 0.067 1.00 0.00 C ATOM 0 H TRP A 129 6.402 7.231 0.482 1.00 0.00 H new ATOM 0 HA TRP A 129 6.919 9.498 -1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 129 6.353 9.489 1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 129 7.991 8.929 1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.967 10.712 1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 129 10.025 13.281 0.998 1.00 0.00 H new ATOM 0 HE3 TRP A 129 5.033 11.462 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 8.180 15.322 0.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 4.249 13.761 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 129 5.804 15.663 -0.117 1.00 0.00 H new ATOM 1585 N THR A 130 9.200 7.257 -0.656 1.00 0.00 N ATOM 1586 CA THR A 130 10.539 6.802 -1.004 1.00 0.00 C ATOM 1587 C THR A 130 10.794 6.954 -2.502 1.00 0.00 C ATOM 1588 O THR A 130 11.810 7.513 -2.919 1.00 0.00 O ATOM 1589 CB THR A 130 10.735 5.330 -0.598 1.00 0.00 C ATOM 1590 OG1 THR A 130 10.346 5.150 0.768 1.00 0.00 O ATOM 1591 CG2 THR A 130 12.184 4.901 -0.774 1.00 0.00 C ATOM 0 H THR A 130 8.628 6.554 -0.188 1.00 0.00 H new ATOM 0 HA THR A 130 11.251 7.422 -0.459 1.00 0.00 H new ATOM 0 HB THR A 130 10.112 4.713 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.111 4.823 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.293 3.857 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.473 5.015 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.826 5.523 -0.150 1.00 0.00 H new ATOM 1599 N ILE A 131 9.861 6.470 -3.308 1.00 0.00 N ATOM 1600 CA ILE A 131 9.990 6.576 -4.752 1.00 0.00 C ATOM 1601 C ILE A 131 9.311 7.849 -5.262 1.00 0.00 C ATOM 1602 O ILE A 131 9.687 8.401 -6.298 1.00 0.00 O ATOM 1603 CB ILE A 131 9.416 5.329 -5.471 1.00 0.00 C ATOM 1604 CG1 ILE A 131 9.618 5.439 -6.986 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.943 5.145 -5.134 1.00 0.00 C ATOM 1606 CD1 ILE A 131 9.142 4.228 -7.757 1.00 0.00 C ATOM 0 H ILE A 131 9.012 6.003 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 131 11.054 6.630 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 131 9.957 4.451 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.090 6.320 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.677 5.595 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 131 7.559 4.264 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.830 5.015 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.384 6.024 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.319 4.382 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.688 3.346 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.076 4.082 -7.584 1.00 0.00 H new ATOM 1618 N GLY A 132 8.323 8.320 -4.504 1.00 0.00 N ATOM 1619 CA GLY A 132 7.646 9.558 -4.834 1.00 0.00 C ATOM 1620 C GLY A 132 6.703 9.415 -6.009 1.00 0.00 C ATOM 1621 O GLY A 132 6.554 10.344 -6.803 1.00 0.00 O ATOM 0 H GLY A 132 7.979 7.860 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.086 9.904 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.388 10.324 -5.061 1.00 0.00 H new