USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 49 GLN : amide:sc= 1.07 K(o=2.2,f=0.17) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.697) USER MOD Single : A 41 SER OG : rot 77:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.16) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 75:sc=0.000679 USER MOD Single : A 51 HIS : no HD1:sc= 0.889 K(o=0.89,f=-3.7!) USER MOD Single : A 53 ASN : amide:sc= -0.0818 X(o=-0.082,f=-0.082) USER MOD Single : A 61 GLN : amide:sc= 0.919 K(o=0.92,f=-5.5!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.187 USER MOD Single : A 66 SER OG : rot 68:sc= 0.186 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.611 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.99) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.0531 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc= 1.28 USER MOD Single : A 105 CYS SG : rot 74:sc= -1.54! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.613 -7.731 0.311 1.00 0.00 N ATOM 45 CA LEU A 35 3.198 -9.056 0.062 1.00 0.00 C ATOM 46 C LEU A 35 2.124 -9.926 -0.600 1.00 0.00 C ATOM 47 O LEU A 35 0.955 -9.570 -0.515 1.00 0.00 O ATOM 48 CB LEU A 35 3.668 -9.700 1.381 1.00 0.00 C ATOM 49 CG LEU A 35 4.741 -8.900 2.148 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.103 -9.647 3.435 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.009 -8.663 1.316 1.00 0.00 C ATOM 0 HA LEU A 35 4.068 -8.964 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.803 -9.836 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.062 -10.693 1.164 1.00 0.00 H new ATOM 0 HG LEU A 35 4.319 -7.921 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.861 -9.085 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.214 -9.754 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.492 -10.634 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.730 -8.096 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.444 -9.622 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.754 -8.103 0.416 1.00 0.00 H new ATOM 63 N GLU A 36 2.461 -11.067 -1.216 1.00 0.00 N ATOM 64 CA GLU A 36 1.494 -11.814 -2.036 1.00 0.00 C ATOM 65 C GLU A 36 0.252 -12.191 -1.240 1.00 0.00 C ATOM 66 O GLU A 36 -0.861 -11.830 -1.623 1.00 0.00 O ATOM 67 CB GLU A 36 2.149 -13.044 -2.693 1.00 0.00 C ATOM 68 CG GLU A 36 1.176 -13.819 -3.593 1.00 0.00 C ATOM 69 CD GLU A 36 1.905 -14.934 -4.364 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.008 -16.071 -3.841 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.381 -14.685 -5.500 1.00 0.00 O ATOM 0 H GLU A 36 3.387 -11.491 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 36 1.167 -11.153 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.007 -12.723 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.527 -13.708 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.381 -14.252 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.703 -13.135 -4.297 1.00 0.00 H new ATOM 78 N ALA A 37 0.434 -12.858 -0.100 1.00 0.00 N ATOM 79 CA ALA A 37 -0.703 -13.331 0.683 1.00 0.00 C ATOM 80 C ALA A 37 -1.503 -12.155 1.265 1.00 0.00 C ATOM 81 O ALA A 37 -2.725 -12.235 1.382 1.00 0.00 O ATOM 82 CB ALA A 37 -0.260 -14.306 1.779 1.00 0.00 C ATOM 0 H ALA A 37 1.347 -13.080 0.297 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.364 -13.878 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.131 -14.639 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.229 -15.168 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.438 -13.806 2.450 1.00 0.00 H new ATOM 88 N ASP A 38 -0.828 -11.055 1.603 1.00 0.00 N ATOM 89 CA ASP A 38 -1.470 -9.849 2.127 1.00 0.00 C ATOM 90 C ASP A 38 -2.270 -9.128 1.035 1.00 0.00 C ATOM 91 O ASP A 38 -3.385 -8.672 1.291 1.00 0.00 O ATOM 92 CB ASP A 38 -0.401 -8.918 2.710 1.00 0.00 C ATOM 93 CG ASP A 38 -1.025 -7.729 3.451 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.760 -7.950 4.442 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.773 -6.567 3.057 1.00 0.00 O ATOM 0 H ASP A 38 0.186 -10.976 1.520 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.169 -10.137 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.236 -9.479 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.239 -8.551 1.907 1.00 0.00 H new ATOM 100 N LEU A 39 -1.734 -9.087 -0.191 1.00 0.00 N ATOM 101 CA LEU A 39 -2.356 -8.485 -1.365 1.00 0.00 C ATOM 102 C LEU A 39 -3.665 -9.190 -1.651 1.00 0.00 C ATOM 103 O LEU A 39 -4.713 -8.545 -1.719 1.00 0.00 O ATOM 104 CB LEU A 39 -1.408 -8.574 -2.585 1.00 0.00 C ATOM 105 CG LEU A 39 -1.958 -7.943 -3.889 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.805 -7.357 -4.712 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.719 -8.936 -4.780 1.00 0.00 C ATOM 0 H LEU A 39 -0.819 -9.489 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.553 -7.431 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.467 -8.085 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.181 -9.623 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.660 -7.172 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.199 -6.915 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.295 -6.590 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.100 -8.149 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.075 -8.424 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.054 -9.750 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.569 -9.340 -4.231 1.00 0.00 H new ATOM 119 N VAL A 40 -3.604 -10.512 -1.812 1.00 0.00 N ATOM 120 CA VAL A 40 -4.769 -11.280 -2.204 1.00 0.00 C ATOM 121 C VAL A 40 -5.824 -11.198 -1.095 1.00 0.00 C ATOM 122 O VAL A 40 -6.988 -10.970 -1.413 1.00 0.00 O ATOM 123 CB VAL A 40 -4.369 -12.711 -2.640 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.353 -12.632 -3.793 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.797 -13.554 -1.495 1.00 0.00 C ATOM 0 H VAL A 40 -2.758 -11.066 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.235 -10.855 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.280 -13.211 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.072 -13.639 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.801 -12.107 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.466 -12.093 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.537 -14.545 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.905 -13.070 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.542 -13.647 -0.705 1.00 0.00 H new ATOM 135 N SER A 41 -5.433 -11.260 0.184 1.00 0.00 N ATOM 136 CA SER A 41 -6.366 -11.134 1.304 1.00 0.00 C ATOM 137 C SER A 41 -7.035 -9.756 1.345 1.00 0.00 C ATOM 138 O SER A 41 -8.261 -9.693 1.407 1.00 0.00 O ATOM 139 CB SER A 41 -5.658 -11.437 2.633 1.00 0.00 C ATOM 140 OG SER A 41 -5.107 -12.747 2.623 1.00 0.00 O ATOM 0 H SER A 41 -4.463 -11.399 0.468 1.00 0.00 H new ATOM 0 HA SER A 41 -7.156 -11.869 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.868 -10.706 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.365 -11.341 3.457 1.00 0.00 H new ATOM 0 HG SER A 41 -4.288 -12.753 2.085 1.00 0.00 H new ATOM 146 N LYS A 42 -6.288 -8.647 1.278 1.00 0.00 N ATOM 147 CA LYS A 42 -6.877 -7.305 1.363 1.00 0.00 C ATOM 148 C LYS A 42 -7.733 -7.010 0.140 1.00 0.00 C ATOM 149 O LYS A 42 -8.809 -6.445 0.302 1.00 0.00 O ATOM 150 CB LYS A 42 -5.781 -6.240 1.529 1.00 0.00 C ATOM 151 CG LYS A 42 -5.254 -6.207 2.969 1.00 0.00 C ATOM 152 CD LYS A 42 -4.063 -5.247 3.085 1.00 0.00 C ATOM 153 CE LYS A 42 -3.545 -5.204 4.529 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.159 -4.681 4.602 1.00 0.00 N ATOM 0 H LYS A 42 -5.274 -8.653 1.165 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.521 -7.273 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.960 -6.449 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.178 -5.261 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.049 -5.893 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.952 -7.209 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.264 -5.567 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.362 -4.247 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.202 -4.578 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.578 -6.206 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.863 -4.620 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.519 -5.321 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.122 -3.735 4.171 1.00 0.00 H new ATOM 168 N MET A 43 -7.314 -7.393 -1.065 1.00 0.00 N ATOM 169 CA MET A 43 -8.116 -7.122 -2.255 1.00 0.00 C ATOM 170 C MET A 43 -9.371 -8.001 -2.261 1.00 0.00 C ATOM 171 O MET A 43 -10.452 -7.481 -2.508 1.00 0.00 O ATOM 172 CB MET A 43 -7.273 -7.281 -3.528 1.00 0.00 C ATOM 173 CG MET A 43 -6.222 -6.160 -3.638 1.00 0.00 C ATOM 174 SD MET A 43 -5.477 -6.001 -5.284 1.00 0.00 S ATOM 175 CE MET A 43 -4.290 -4.655 -5.036 1.00 0.00 C ATOM 0 H MET A 43 -6.438 -7.884 -1.241 1.00 0.00 H new ATOM 0 HA MET A 43 -8.452 -6.085 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.776 -8.251 -3.520 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.922 -7.263 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.688 -5.212 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.432 -6.345 -2.910 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.765 -4.457 -5.970 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.820 -3.756 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.571 -4.941 -4.269 1.00 0.00 H new ATOM 185 N LEU A 44 -9.274 -9.285 -1.885 1.00 0.00 N ATOM 186 CA LEU A 44 -10.426 -10.160 -1.646 1.00 0.00 C ATOM 187 C LEU A 44 -11.411 -9.461 -0.720 1.00 0.00 C ATOM 188 O LEU A 44 -12.567 -9.246 -1.072 1.00 0.00 O ATOM 189 CB LEU A 44 -9.908 -11.480 -1.020 1.00 0.00 C ATOM 190 CG LEU A 44 -10.959 -12.405 -0.392 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.787 -13.068 -1.480 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.278 -13.470 0.466 1.00 0.00 C ATOM 0 H LEU A 44 -8.378 -9.749 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.945 -10.384 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.381 -12.039 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.175 -11.228 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.617 -11.809 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.530 -13.722 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.291 -12.303 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.135 -13.655 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.034 -14.120 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.606 -14.063 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.707 -12.988 1.260 1.00 0.00 H new ATOM 204 N ARG A 45 -10.922 -9.064 0.449 1.00 0.00 N ATOM 205 CA ARG A 45 -11.670 -8.320 1.452 1.00 0.00 C ATOM 206 C ARG A 45 -12.314 -7.078 0.857 1.00 0.00 C ATOM 207 O ARG A 45 -13.484 -6.844 1.121 1.00 0.00 O ATOM 208 CB ARG A 45 -10.699 -8.048 2.609 1.00 0.00 C ATOM 209 CG ARG A 45 -11.083 -6.921 3.569 1.00 0.00 C ATOM 210 CD ARG A 45 -10.464 -5.560 3.217 1.00 0.00 C ATOM 211 NE ARG A 45 -10.349 -4.793 4.459 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.153 -3.489 4.642 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.886 -2.672 3.625 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.234 -3.045 5.888 1.00 0.00 N ATOM 0 H ARG A 45 -9.962 -9.258 0.733 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.518 -8.887 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.590 -8.966 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.721 -7.819 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.168 -6.822 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.777 -7.197 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.485 -5.692 2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.087 -5.031 2.496 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.432 -5.342 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.827 -3.041 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.740 -1.677 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.438 -3.694 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.093 -2.055 6.087 1.00 0.00 H new ATOM 228 N ALA A 46 -11.598 -6.293 0.056 1.00 0.00 N ATOM 229 CA ALA A 46 -12.144 -5.048 -0.453 1.00 0.00 C ATOM 230 C ALA A 46 -13.304 -5.313 -1.419 1.00 0.00 C ATOM 231 O ALA A 46 -14.332 -4.647 -1.313 1.00 0.00 O ATOM 232 CB ALA A 46 -11.037 -4.226 -1.122 1.00 0.00 C ATOM 0 H ALA A 46 -10.647 -6.498 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.542 -4.472 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.455 -3.293 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.257 -4.004 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.610 -4.795 -1.948 1.00 0.00 H new ATOM 238 N VAL A 47 -13.183 -6.310 -2.304 1.00 0.00 N ATOM 239 CA VAL A 47 -14.284 -6.696 -3.187 1.00 0.00 C ATOM 240 C VAL A 47 -15.488 -7.089 -2.325 1.00 0.00 C ATOM 241 O VAL A 47 -16.600 -6.621 -2.558 1.00 0.00 O ATOM 242 CB VAL A 47 -13.842 -7.831 -4.139 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.988 -8.357 -5.009 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.738 -7.339 -5.086 1.00 0.00 C ATOM 0 H VAL A 47 -12.334 -6.862 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.575 -5.858 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.486 -8.635 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.618 -9.152 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.780 -8.748 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.383 -7.545 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.439 -8.151 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.113 -6.505 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.878 -7.011 -4.503 1.00 0.00 H new ATOM 254 N LEU A 48 -15.269 -7.905 -1.290 1.00 0.00 N ATOM 255 CA LEU A 48 -16.340 -8.366 -0.409 1.00 0.00 C ATOM 256 C LEU A 48 -16.987 -7.205 0.358 1.00 0.00 C ATOM 257 O LEU A 48 -18.195 -7.227 0.581 1.00 0.00 O ATOM 258 CB LEU A 48 -15.764 -9.382 0.590 1.00 0.00 C ATOM 259 CG LEU A 48 -15.268 -10.675 -0.071 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.321 -11.373 0.897 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.432 -11.605 -0.388 1.00 0.00 C ATOM 0 H LEU A 48 -14.346 -8.262 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.112 -8.828 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.938 -8.920 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.529 -9.630 1.326 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.761 -10.429 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.956 -12.296 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.478 -10.718 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.851 -11.605 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.054 -12.514 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.954 -11.861 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.121 -11.106 -1.069 1.00 0.00 H new ATOM 273 N GLN A 49 -16.204 -6.206 0.780 1.00 0.00 N ATOM 274 CA GLN A 49 -16.710 -5.042 1.498 1.00 0.00 C ATOM 275 C GLN A 49 -17.629 -4.211 0.598 1.00 0.00 C ATOM 276 O GLN A 49 -18.651 -3.734 1.089 1.00 0.00 O ATOM 277 CB GLN A 49 -15.561 -4.182 2.058 1.00 0.00 C ATOM 278 CG GLN A 49 -14.924 -4.733 3.350 1.00 0.00 C ATOM 279 CD GLN A 49 -15.847 -4.710 4.578 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.965 -4.200 4.544 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.406 -5.267 5.696 1.00 0.00 N ATOM 0 H GLN A 49 -15.195 -6.187 0.629 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.293 -5.400 2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.787 -4.091 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.937 -3.177 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.603 -5.759 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.029 -4.153 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.478 -5.690 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.994 -5.273 6.529 1.00 0.00 H new ATOM 290 N SER A 50 -17.311 -4.056 -0.689 1.00 0.00 N ATOM 291 CA SER A 50 -18.220 -3.422 -1.638 1.00 0.00 C ATOM 292 C SER A 50 -19.464 -4.293 -1.866 1.00 0.00 C ATOM 293 O SER A 50 -20.592 -3.791 -1.889 1.00 0.00 O ATOM 294 CB SER A 50 -17.491 -3.187 -2.965 1.00 0.00 C ATOM 295 OG SER A 50 -16.332 -2.381 -2.761 1.00 0.00 O ATOM 0 H SER A 50 -16.427 -4.363 -1.096 1.00 0.00 H new ATOM 0 HA SER A 50 -18.545 -2.466 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.204 -4.143 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.161 -2.699 -3.673 1.00 0.00 H new ATOM 0 HG SER A 50 -15.628 -2.920 -2.345 1.00 0.00 H new ATOM 301 N HIS A 51 -19.273 -5.607 -1.999 1.00 0.00 N ATOM 302 CA HIS A 51 -20.297 -6.548 -2.429 1.00 0.00 C ATOM 303 C HIS A 51 -21.006 -7.143 -1.207 1.00 0.00 C ATOM 304 O HIS A 51 -20.923 -8.348 -0.968 1.00 0.00 O ATOM 305 CB HIS A 51 -19.671 -7.609 -3.350 1.00 0.00 C ATOM 306 CG HIS A 51 -19.127 -7.072 -4.660 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.925 -5.727 -5.011 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.751 -7.850 -5.713 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.422 -5.748 -6.258 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.323 -7.008 -6.710 1.00 0.00 N ATOM 0 H HIS A 51 -18.377 -6.053 -1.804 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.063 -6.038 -3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.862 -8.105 -2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.421 -8.369 -3.568 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.783 -8.929 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.137 -4.871 -6.819 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.989 -7.290 -7.631 1.00 0.00 H new ATOM 318 N LYS A 52 -21.707 -6.316 -0.418 1.00 0.00 N ATOM 319 CA LYS A 52 -22.391 -6.764 0.809 1.00 0.00 C ATOM 320 C LYS A 52 -23.458 -7.838 0.563 1.00 0.00 C ATOM 321 O LYS A 52 -23.761 -8.600 1.481 1.00 0.00 O ATOM 322 CB LYS A 52 -23.026 -5.572 1.551 1.00 0.00 C ATOM 323 CG LYS A 52 -22.032 -4.593 2.195 1.00 0.00 C ATOM 324 CD LYS A 52 -21.034 -5.292 3.133 1.00 0.00 C ATOM 325 CE LYS A 52 -20.415 -4.354 4.189 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.820 -3.114 3.613 1.00 0.00 N ATOM 0 H LYS A 52 -21.817 -5.320 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.615 -7.219 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.651 -5.020 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.685 -5.959 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.483 -4.071 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.583 -3.838 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.540 -6.113 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.234 -5.731 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.183 -4.077 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.644 -4.896 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.084 -2.753 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.399 -3.329 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.562 -2.394 3.498 1.00 0.00 H new ATOM 340 N ASN A 53 -23.997 -7.940 -0.656 1.00 0.00 N ATOM 341 CA ASN A 53 -24.894 -9.035 -1.045 1.00 0.00 C ATOM 342 C ASN A 53 -24.204 -10.410 -1.016 1.00 0.00 C ATOM 343 O ASN A 53 -24.876 -11.441 -1.079 1.00 0.00 O ATOM 344 CB ASN A 53 -25.464 -8.748 -2.444 1.00 0.00 C ATOM 345 CG ASN A 53 -26.518 -9.767 -2.880 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.282 -10.589 -3.765 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.703 -9.742 -2.278 1.00 0.00 N ATOM 0 H ASN A 53 -23.824 -7.266 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.700 -9.081 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.905 -7.751 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.649 -8.743 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.427 -10.408 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.889 -9.057 -1.546 1.00 0.00 H new ATOM 354 N GLY A 54 -22.869 -10.435 -0.904 1.00 0.00 N ATOM 355 CA GLY A 54 -22.051 -11.627 -0.998 1.00 0.00 C ATOM 356 C GLY A 54 -21.837 -12.020 -2.457 1.00 0.00 C ATOM 357 O GLY A 54 -22.456 -11.470 -3.371 1.00 0.00 O ATOM 0 H GLY A 54 -22.321 -9.591 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.088 -11.452 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.530 -12.446 -0.462 1.00 0.00 H new ATOM 361 N ILE A 55 -20.933 -12.974 -2.680 1.00 0.00 N ATOM 362 CA ILE A 55 -20.561 -13.463 -4.000 1.00 0.00 C ATOM 363 C ILE A 55 -20.320 -14.961 -3.873 1.00 0.00 C ATOM 364 O ILE A 55 -19.577 -15.392 -3.001 1.00 0.00 O ATOM 365 CB ILE A 55 -19.331 -12.682 -4.562 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.327 -12.168 -3.492 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.789 -11.483 -5.400 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.178 -11.304 -4.044 1.00 0.00 C ATOM 0 H ILE A 55 -20.428 -13.438 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.356 -13.293 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.801 -13.419 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.875 -11.587 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.900 -13.026 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.917 -10.952 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.396 -11.833 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.380 -10.810 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.531 -10.993 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.600 -11.884 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.589 -10.423 -4.536 1.00 0.00 H new ATOM 380 N VAL A 56 -21.012 -15.750 -4.695 1.00 0.00 N ATOM 381 CA VAL A 56 -20.879 -17.211 -4.748 1.00 0.00 C ATOM 382 C VAL A 56 -19.449 -17.580 -5.146 1.00 0.00 C ATOM 383 O VAL A 56 -18.850 -16.835 -5.914 1.00 0.00 O ATOM 384 CB VAL A 56 -21.935 -17.782 -5.724 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.352 -17.631 -5.157 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.889 -17.150 -7.124 1.00 0.00 C ATOM 0 H VAL A 56 -21.696 -15.386 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.064 -17.652 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.681 -18.837 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.073 -18.041 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.425 -18.169 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.567 -16.575 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.658 -17.600 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.067 -16.078 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.909 -17.323 -7.569 1.00 0.00 H new ATOM 396 N LEU A 57 -18.893 -18.714 -4.709 1.00 0.00 N ATOM 397 CA LEU A 57 -17.473 -19.035 -4.948 1.00 0.00 C ATOM 398 C LEU A 57 -16.940 -18.882 -6.405 1.00 0.00 C ATOM 399 O LEU A 57 -15.795 -18.452 -6.533 1.00 0.00 O ATOM 400 CB LEU A 57 -17.003 -20.349 -4.279 1.00 0.00 C ATOM 401 CG LEU A 57 -17.374 -21.675 -4.981 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.626 -22.840 -4.323 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.871 -22.010 -4.944 1.00 0.00 C ATOM 0 H LEU A 57 -19.401 -19.429 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.985 -18.213 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.918 -20.310 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.410 -20.377 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.089 -21.537 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.892 -23.772 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.552 -22.677 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.902 -22.901 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.045 -22.955 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.199 -22.095 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.433 -21.218 -5.439 1.00 0.00 H new ATOM 415 N PRO A 58 -17.672 -19.137 -7.516 1.00 0.00 N ATOM 416 CA PRO A 58 -17.148 -18.831 -8.858 1.00 0.00 C ATOM 417 C PRO A 58 -17.186 -17.323 -9.158 1.00 0.00 C ATOM 418 O PRO A 58 -16.262 -16.769 -9.755 1.00 0.00 O ATOM 419 CB PRO A 58 -18.027 -19.624 -9.830 1.00 0.00 C ATOM 420 CG PRO A 58 -19.367 -19.726 -9.103 1.00 0.00 C ATOM 421 CD PRO A 58 -18.934 -19.865 -7.645 1.00 0.00 C ATOM 0 HA PRO A 58 -16.099 -19.111 -8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.128 -19.112 -10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.608 -20.608 -10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.984 -18.842 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.948 -20.585 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.689 -19.454 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.806 -20.914 -7.376 1.00 0.00 H new ATOM 429 N ARG A 59 -18.228 -16.628 -8.696 1.00 0.00 N ATOM 430 CA ARG A 59 -18.360 -15.174 -8.826 1.00 0.00 C ATOM 431 C ARG A 59 -17.310 -14.481 -7.961 1.00 0.00 C ATOM 432 O ARG A 59 -16.839 -13.412 -8.336 1.00 0.00 O ATOM 433 CB ARG A 59 -19.798 -14.778 -8.449 1.00 0.00 C ATOM 434 CG ARG A 59 -20.131 -13.313 -8.761 1.00 0.00 C ATOM 435 CD ARG A 59 -21.617 -12.998 -8.539 1.00 0.00 C ATOM 436 NE ARG A 59 -22.471 -13.620 -9.571 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.812 -13.588 -9.617 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.505 -12.916 -8.702 1.00 0.00 N ATOM 439 NH2 ARG A 59 -24.457 -14.235 -10.586 1.00 0.00 N ATOM 0 H ARG A 59 -19.014 -17.064 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.181 -14.854 -9.852 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.496 -15.423 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.949 -14.958 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.525 -12.662 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.865 -13.094 -9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.920 -13.353 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.765 -11.918 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.996 -14.122 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.018 -12.419 -7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.524 -12.898 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.932 -14.753 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.476 -14.213 -10.624 1.00 0.00 H new ATOM 453 N LEU A 60 -16.917 -15.107 -6.842 1.00 0.00 N ATOM 454 CA LEU A 60 -15.832 -14.650 -5.990 1.00 0.00 C ATOM 455 C LEU A 60 -14.589 -14.511 -6.860 1.00 0.00 C ATOM 456 O LEU A 60 -14.070 -13.407 -6.958 1.00 0.00 O ATOM 457 CB LEU A 60 -15.615 -15.611 -4.790 1.00 0.00 C ATOM 458 CG LEU A 60 -14.570 -15.185 -3.744 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.119 -15.284 -4.226 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.855 -13.781 -3.217 1.00 0.00 C ATOM 0 H LEU A 60 -17.360 -15.962 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.072 -13.683 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.571 -15.743 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.326 -16.586 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.671 -15.907 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.448 -14.965 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.895 -16.316 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.980 -14.641 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.100 -13.509 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.829 -13.070 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.840 -13.760 -2.751 1.00 0.00 H new ATOM 472 N GLN A 61 -14.160 -15.596 -7.521 1.00 0.00 N ATOM 473 CA GLN A 61 -13.007 -15.596 -8.434 1.00 0.00 C ATOM 474 C GLN A 61 -13.106 -14.453 -9.452 1.00 0.00 C ATOM 475 O GLN A 61 -12.143 -13.707 -9.609 1.00 0.00 O ATOM 476 CB GLN A 61 -12.892 -16.958 -9.161 1.00 0.00 C ATOM 477 CG GLN A 61 -11.998 -17.996 -8.460 1.00 0.00 C ATOM 478 CD GLN A 61 -10.532 -17.856 -8.898 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.987 -16.761 -8.902 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.846 -18.927 -9.279 1.00 0.00 N ATOM 0 H GLN A 61 -14.608 -16.508 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.107 -15.440 -7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.891 -17.378 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.504 -16.785 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.071 -17.871 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.354 -19.000 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.292 -19.845 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.873 -18.832 -9.572 1.00 0.00 H new ATOM 489 N GLY A 62 -14.258 -14.302 -10.114 1.00 0.00 N ATOM 490 CA GLY A 62 -14.437 -13.287 -11.143 1.00 0.00 C ATOM 491 C GLY A 62 -14.220 -11.873 -10.593 1.00 0.00 C ATOM 492 O GLY A 62 -13.366 -11.147 -11.096 1.00 0.00 O ATOM 0 H GLY A 62 -15.083 -14.878 -9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.739 -13.470 -11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.441 -13.365 -11.559 1.00 0.00 H new ATOM 496 N GLU A 63 -14.958 -11.483 -9.549 1.00 0.00 N ATOM 497 CA GLU A 63 -14.918 -10.115 -9.028 1.00 0.00 C ATOM 498 C GLU A 63 -13.583 -9.818 -8.326 1.00 0.00 C ATOM 499 O GLU A 63 -13.004 -8.737 -8.498 1.00 0.00 O ATOM 500 CB GLU A 63 -16.094 -9.901 -8.062 1.00 0.00 C ATOM 501 CG GLU A 63 -17.465 -9.952 -8.753 1.00 0.00 C ATOM 502 CD GLU A 63 -17.629 -8.824 -9.787 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.642 -7.634 -9.385 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.748 -9.116 -11.001 1.00 0.00 O ATOM 0 H GLU A 63 -15.594 -12.101 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.005 -9.424 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.059 -10.663 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.979 -8.936 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.588 -10.917 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.252 -9.875 -8.003 1.00 0.00 H new ATOM 511 N TYR A 64 -13.066 -10.806 -7.584 1.00 0.00 N ATOM 512 CA TYR A 64 -11.723 -10.774 -7.027 1.00 0.00 C ATOM 513 C TYR A 64 -10.734 -10.396 -8.126 1.00 0.00 C ATOM 514 O TYR A 64 -9.995 -9.421 -7.974 1.00 0.00 O ATOM 515 CB TYR A 64 -11.389 -12.142 -6.416 1.00 0.00 C ATOM 516 CG TYR A 64 -9.923 -12.374 -6.139 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.120 -12.934 -7.145 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.364 -12.043 -4.894 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.758 -13.142 -6.916 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.999 -12.280 -4.650 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.194 -12.838 -5.666 1.00 0.00 C ATOM 522 OH TYR A 64 -5.876 -13.078 -5.457 1.00 0.00 O ATOM 0 H TYR A 64 -13.581 -11.656 -7.356 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.658 -10.027 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.942 -12.252 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.744 -12.921 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.555 -13.204 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.982 -11.606 -4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.135 -13.539 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.569 -12.036 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.344 -12.560 -6.097 1.00 0.00 H new ATOM 532 N ARG A 65 -10.762 -11.128 -9.246 1.00 0.00 N ATOM 533 CA ARG A 65 -9.839 -10.916 -10.343 1.00 0.00 C ATOM 534 C ARG A 65 -10.036 -9.538 -10.956 1.00 0.00 C ATOM 535 O ARG A 65 -9.042 -8.922 -11.342 1.00 0.00 O ATOM 536 CB ARG A 65 -9.982 -12.036 -11.376 1.00 0.00 C ATOM 537 CG ARG A 65 -8.982 -11.814 -12.520 1.00 0.00 C ATOM 538 CD ARG A 65 -8.702 -13.112 -13.260 1.00 0.00 C ATOM 539 NE ARG A 65 -7.476 -12.998 -14.057 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.372 -12.891 -15.388 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.458 -12.881 -16.161 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.170 -12.795 -15.948 1.00 0.00 N ATOM 0 H ARG A 65 -11.430 -11.882 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.818 -10.949 -9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.803 -13.003 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.999 -12.055 -11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.378 -11.073 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.051 -11.411 -12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.603 -13.930 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.543 -13.355 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.599 -13.001 -13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.384 -12.955 -15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.363 -12.799 -17.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.333 -12.803 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.084 -12.713 -16.961 1.00 0.00 H new ATOM 556 N SER A 66 -11.268 -9.031 -11.046 1.00 0.00 N ATOM 557 CA SER A 66 -11.492 -7.683 -11.538 1.00 0.00 C ATOM 558 C SER A 66 -10.704 -6.661 -10.707 1.00 0.00 C ATOM 559 O SER A 66 -10.195 -5.695 -11.282 1.00 0.00 O ATOM 560 CB SER A 66 -12.987 -7.337 -11.568 1.00 0.00 C ATOM 561 OG SER A 66 -13.709 -8.295 -12.329 1.00 0.00 O ATOM 0 H SER A 66 -12.116 -9.535 -10.785 1.00 0.00 H new ATOM 0 HA SER A 66 -11.127 -7.639 -12.564 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.378 -7.303 -10.551 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.127 -6.345 -11.996 1.00 0.00 H new ATOM 0 HG SER A 66 -13.698 -9.158 -11.864 1.00 0.00 H new ATOM 567 N LEU A 67 -10.552 -6.863 -9.387 1.00 0.00 N ATOM 568 CA LEU A 67 -9.691 -5.984 -8.588 1.00 0.00 C ATOM 569 C LEU A 67 -8.194 -6.340 -8.683 1.00 0.00 C ATOM 570 O LEU A 67 -7.386 -5.447 -8.954 1.00 0.00 O ATOM 571 CB LEU A 67 -10.155 -5.933 -7.124 1.00 0.00 C ATOM 572 CG LEU A 67 -9.370 -4.909 -6.269 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.443 -3.475 -6.812 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.923 -4.896 -4.845 1.00 0.00 C ATOM 0 H LEU A 67 -11.005 -7.611 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.794 -4.989 -9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.216 -5.683 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.048 -6.923 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.328 -5.228 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.871 -2.811 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.027 -3.446 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.483 -3.149 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.368 -4.174 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.976 -4.617 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.820 -5.888 -4.405 1.00 0.00 H new ATOM 586 N THR A 68 -7.790 -7.592 -8.451 1.00 0.00 N ATOM 587 CA THR A 68 -6.371 -7.948 -8.311 1.00 0.00 C ATOM 588 C THR A 68 -5.634 -8.013 -9.650 1.00 0.00 C ATOM 589 O THR A 68 -4.429 -7.744 -9.706 1.00 0.00 O ATOM 590 CB THR A 68 -6.244 -9.343 -7.682 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.124 -10.227 -8.352 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.562 -9.342 -6.193 1.00 0.00 C ATOM 0 H THR A 68 -8.428 -8.382 -8.355 1.00 0.00 H new ATOM 0 HA THR A 68 -5.929 -7.167 -7.693 1.00 0.00 H new ATOM 0 HB THR A 68 -5.209 -9.666 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.244 -11.038 -7.815 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.457 -10.352 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.872 -8.676 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.584 -8.997 -6.040 1.00 0.00 H new ATOM 600 N GLY A 69 -6.339 -8.381 -10.723 1.00 0.00 N ATOM 601 CA GLY A 69 -5.728 -8.717 -11.994 1.00 0.00 C ATOM 602 C GLY A 69 -5.083 -10.114 -11.924 1.00 0.00 C ATOM 603 O GLY A 69 -4.202 -10.410 -12.734 1.00 0.00 O ATOM 0 H GLY A 69 -7.357 -8.452 -10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.479 -8.695 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.974 -7.973 -12.251 1.00 0.00 H new ATOM 607 N ASP A 70 -5.488 -10.966 -10.969 1.00 0.00 N ATOM 608 CA ASP A 70 -4.948 -12.312 -10.758 1.00 0.00 C ATOM 609 C ASP A 70 -6.086 -13.267 -10.407 1.00 0.00 C ATOM 610 O ASP A 70 -7.175 -12.828 -10.041 1.00 0.00 O ATOM 611 CB ASP A 70 -3.911 -12.309 -9.620 1.00 0.00 C ATOM 612 CG ASP A 70 -3.017 -13.571 -9.600 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.013 -14.368 -10.574 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.297 -13.763 -8.590 1.00 0.00 O ATOM 0 H ASP A 70 -6.223 -10.727 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.458 -12.640 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.279 -11.426 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.430 -12.226 -8.665 1.00 0.00 H new ATOM 619 N TRP A 71 -5.854 -14.569 -10.500 1.00 0.00 N ATOM 620 CA TRP A 71 -6.759 -15.586 -9.990 1.00 0.00 C ATOM 621 C TRP A 71 -6.449 -15.818 -8.510 1.00 0.00 C ATOM 622 O TRP A 71 -5.339 -15.541 -8.040 1.00 0.00 O ATOM 623 CB TRP A 71 -6.572 -16.884 -10.782 1.00 0.00 C ATOM 624 CG TRP A 71 -6.913 -16.775 -12.235 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.046 -16.893 -13.263 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.211 -16.518 -12.847 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.715 -16.738 -14.462 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.054 -16.482 -14.264 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.496 -16.235 -12.338 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.128 -16.205 -15.127 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.569 -15.925 -13.190 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.392 -15.925 -14.585 1.00 0.00 C ATOM 0 H TRP A 71 -5.017 -14.953 -10.939 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.793 -15.259 -10.099 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.535 -17.207 -10.688 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.190 -17.662 -10.333 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.987 -17.081 -13.163 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.273 -16.805 -15.379 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.658 -16.257 -11.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.982 -16.208 -16.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.535 -15.685 -12.771 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.226 -15.710 -15.237 1.00 0.00 H new ATOM 643 N ILE A 72 -7.435 -16.334 -7.771 1.00 0.00 N ATOM 644 CA ILE A 72 -7.282 -16.739 -6.380 1.00 0.00 C ATOM 645 C ILE A 72 -6.122 -17.746 -6.333 1.00 0.00 C ATOM 646 O ILE A 72 -6.162 -18.740 -7.067 1.00 0.00 O ATOM 647 CB ILE A 72 -8.606 -17.359 -5.866 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.738 -16.321 -5.741 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.406 -18.137 -4.554 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.719 -15.490 -4.457 1.00 0.00 C ATOM 0 H ILE A 72 -8.377 -16.483 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.059 -15.891 -5.733 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.921 -18.075 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.685 -15.644 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.694 -16.840 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.359 -18.555 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.692 -18.945 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.025 -17.464 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.554 -14.790 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.807 -16.151 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.782 -14.936 -4.396 1.00 0.00 H new ATOM 662 N PRO A 73 -5.123 -17.566 -5.456 1.00 0.00 N ATOM 663 CA PRO A 73 -3.951 -18.428 -5.413 1.00 0.00 C ATOM 664 C PRO A 73 -4.207 -19.687 -4.571 1.00 0.00 C ATOM 665 O PRO A 73 -3.282 -20.151 -3.914 1.00 0.00 O ATOM 666 CB PRO A 73 -2.839 -17.523 -4.860 1.00 0.00 C ATOM 667 CG PRO A 73 -3.602 -16.680 -3.848 1.00 0.00 C ATOM 668 CD PRO A 73 -4.937 -16.434 -4.552 1.00 0.00 C ATOM 0 HA PRO A 73 -3.675 -18.829 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.038 -18.097 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.382 -16.913 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.734 -17.205 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.084 -15.747 -3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.753 -16.370 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.922 -15.493 -5.101 1.00 0.00 H new ATOM 676 N PHE A 74 -5.429 -20.243 -4.530 1.00 0.00 N ATOM 677 CA PHE A 74 -5.819 -21.308 -3.594 1.00 0.00 C ATOM 678 C PHE A 74 -4.824 -22.464 -3.641 1.00 0.00 C ATOM 679 O PHE A 74 -4.112 -22.713 -2.671 1.00 0.00 O ATOM 680 CB PHE A 74 -7.285 -21.750 -3.811 1.00 0.00 C ATOM 681 CG PHE A 74 -7.609 -22.495 -5.093 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.802 -21.809 -6.308 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.713 -23.896 -5.064 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.110 -22.523 -7.481 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.049 -24.609 -6.226 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.245 -23.921 -7.436 1.00 0.00 C ATOM 0 H PHE A 74 -6.184 -19.961 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.780 -20.908 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.573 -22.383 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.914 -20.861 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.713 -20.733 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.533 -24.428 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.242 -21.997 -8.415 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.157 -25.683 -6.190 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.500 -24.467 -8.332 1.00 0.00 H new ATOM 696 N LYS A 75 -4.689 -23.107 -4.798 1.00 0.00 N ATOM 697 CA LYS A 75 -3.867 -24.302 -4.937 1.00 0.00 C ATOM 698 C LYS A 75 -2.374 -23.954 -4.999 1.00 0.00 C ATOM 699 O LYS A 75 -1.538 -24.813 -4.730 1.00 0.00 O ATOM 700 CB LYS A 75 -4.376 -25.056 -6.177 1.00 0.00 C ATOM 701 CG LYS A 75 -3.827 -26.478 -6.395 1.00 0.00 C ATOM 702 CD LYS A 75 -4.004 -27.427 -5.197 1.00 0.00 C ATOM 703 CE LYS A 75 -3.504 -28.824 -5.603 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.625 -29.820 -4.504 1.00 0.00 N ATOM 0 H LYS A 75 -5.145 -22.814 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.958 -24.949 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.463 -25.116 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.139 -24.461 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.322 -26.914 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.766 -26.410 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.444 -27.060 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.052 -27.471 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.071 -29.171 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.461 -28.756 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.274 -30.743 -4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.063 -29.506 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.623 -29.908 -4.224 1.00 0.00 H new ATOM 718 N GLN A 76 -2.045 -22.695 -5.311 1.00 0.00 N ATOM 719 CA GLN A 76 -0.670 -22.200 -5.354 1.00 0.00 C ATOM 720 C GLN A 76 -0.146 -21.980 -3.919 1.00 0.00 C ATOM 721 O GLN A 76 0.992 -22.346 -3.614 1.00 0.00 O ATOM 722 CB GLN A 76 -0.626 -20.913 -6.202 1.00 0.00 C ATOM 723 CG GLN A 76 -1.090 -21.123 -7.665 1.00 0.00 C ATOM 724 CD GLN A 76 -2.248 -20.199 -8.063 1.00 0.00 C ATOM 725 OE1 GLN A 76 -2.050 -19.008 -8.280 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.475 -20.707 -8.166 1.00 0.00 N ATOM 0 H GLN A 76 -2.738 -21.984 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.013 -22.933 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.256 -20.157 -5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.392 -20.523 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.248 -20.952 -8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.397 -22.160 -7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.634 -21.698 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.256 -20.105 -8.427 1.00 0.00 H new ATOM 735 N LEU A 77 -0.982 -21.437 -3.019 1.00 0.00 N ATOM 736 CA LEU A 77 -0.694 -21.301 -1.586 1.00 0.00 C ATOM 737 C LEU A 77 -0.821 -22.652 -0.872 1.00 0.00 C ATOM 738 O LEU A 77 -0.150 -22.864 0.140 1.00 0.00 O ATOM 739 CB LEU A 77 -1.612 -20.252 -0.933 1.00 0.00 C ATOM 740 CG LEU A 77 -1.291 -18.785 -1.304 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.321 -17.838 -0.665 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.108 -18.335 -0.865 1.00 0.00 C ATOM 0 H LEU A 77 -1.899 -21.072 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 77 0.335 -20.957 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.643 -20.466 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.550 -20.360 0.150 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.331 -18.740 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.084 -16.808 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.318 -18.087 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.291 -17.946 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.265 -17.297 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.196 -18.424 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.859 -18.964 -1.343 1.00 0.00 H new ATOM 754 N GLY A 78 -1.632 -23.578 -1.400 1.00 0.00 N ATOM 755 CA GLY A 78 -1.687 -24.965 -0.945 1.00 0.00 C ATOM 756 C GLY A 78 -3.038 -25.352 -0.340 1.00 0.00 C ATOM 757 O GLY A 78 -3.150 -26.427 0.249 1.00 0.00 O ATOM 0 H GLY A 78 -2.276 -23.378 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.471 -25.624 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.905 -25.128 -0.203 1.00 0.00 H new ATOM 761 N TYR A 79 -4.061 -24.508 -0.483 1.00 0.00 N ATOM 762 CA TYR A 79 -5.428 -24.821 -0.091 1.00 0.00 C ATOM 763 C TYR A 79 -6.006 -25.702 -1.199 1.00 0.00 C ATOM 764 O TYR A 79 -5.781 -25.398 -2.373 1.00 0.00 O ATOM 765 CB TYR A 79 -6.237 -23.526 0.029 1.00 0.00 C ATOM 766 CG TYR A 79 -5.595 -22.537 0.972 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.720 -22.710 2.358 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.864 -21.447 0.464 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.111 -21.803 3.235 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.257 -20.528 1.338 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.380 -20.700 2.737 1.00 0.00 C ATOM 772 OH TYR A 79 -3.807 -19.820 3.613 1.00 0.00 O ATOM 0 H TYR A 79 -3.957 -23.575 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.462 -25.330 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.340 -23.071 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.243 -23.759 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.286 -23.543 2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.769 -21.316 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.201 -21.948 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.698 -19.693 0.942 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.339 -19.119 3.113 1.00 0.00 H new ATOM 782 N PRO A 80 -6.753 -26.770 -0.888 1.00 0.00 N ATOM 783 CA PRO A 80 -7.183 -27.705 -1.918 1.00 0.00 C ATOM 784 C PRO A 80 -8.199 -27.097 -2.887 1.00 0.00 C ATOM 785 O PRO A 80 -8.234 -27.499 -4.052 1.00 0.00 O ATOM 786 CB PRO A 80 -7.748 -28.915 -1.164 1.00 0.00 C ATOM 787 CG PRO A 80 -8.172 -28.328 0.185 1.00 0.00 C ATOM 788 CD PRO A 80 -7.092 -27.274 0.431 1.00 0.00 C ATOM 0 HA PRO A 80 -6.348 -27.989 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.592 -29.359 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.000 -29.698 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.168 -27.888 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.190 -29.084 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.459 -26.476 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.222 -27.708 0.924 1.00 0.00 H new ATOM 796 N THR A 81 -9.012 -26.138 -2.434 1.00 0.00 N ATOM 797 CA THR A 81 -10.152 -25.624 -3.184 1.00 0.00 C ATOM 798 C THR A 81 -10.337 -24.135 -2.904 1.00 0.00 C ATOM 799 O THR A 81 -9.757 -23.590 -1.961 1.00 0.00 O ATOM 800 CB THR A 81 -11.395 -26.435 -2.761 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.443 -26.460 -1.343 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.349 -27.874 -3.284 1.00 0.00 C ATOM 0 H THR A 81 -8.892 -25.694 -1.524 1.00 0.00 H new ATOM 0 HA THR A 81 -9.992 -25.732 -4.257 1.00 0.00 H new ATOM 0 HB THR A 81 -12.279 -25.959 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.128 -27.096 -1.050 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.244 -28.407 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.305 -27.864 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.466 -28.376 -2.890 1.00 0.00 H new ATOM 810 N LEU A 82 -11.194 -23.483 -3.700 1.00 0.00 N ATOM 811 CA LEU A 82 -11.593 -22.096 -3.477 1.00 0.00 C ATOM 812 C LEU A 82 -12.224 -21.977 -2.110 1.00 0.00 C ATOM 813 O LEU A 82 -11.887 -21.058 -1.368 1.00 0.00 O ATOM 814 CB LEU A 82 -12.611 -21.614 -4.542 1.00 0.00 C ATOM 815 CG LEU A 82 -12.065 -21.246 -5.933 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.957 -20.193 -5.836 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.544 -22.455 -6.712 1.00 0.00 C ATOM 0 H LEU A 82 -11.629 -23.908 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.702 -21.473 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.359 -22.397 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.128 -20.742 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.914 -20.837 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.593 -19.955 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.352 -19.291 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.136 -20.583 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.173 -22.129 -7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.735 -22.926 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.352 -23.172 -6.854 1.00 0.00 H new ATOM 829 N GLU A 83 -13.115 -22.910 -1.762 1.00 0.00 N ATOM 830 CA GLU A 83 -13.775 -22.868 -0.471 1.00 0.00 C ATOM 831 C GLU A 83 -12.712 -22.940 0.619 1.00 0.00 C ATOM 832 O GLU A 83 -12.755 -22.111 1.511 1.00 0.00 O ATOM 833 CB GLU A 83 -14.892 -23.920 -0.335 1.00 0.00 C ATOM 834 CG GLU A 83 -14.422 -25.376 -0.230 1.00 0.00 C ATOM 835 CD GLU A 83 -15.598 -26.340 -0.017 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.230 -26.775 -1.007 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.890 -26.665 1.161 1.00 0.00 O ATOM 0 H GLU A 83 -13.388 -23.693 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.307 -21.923 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.484 -23.683 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.556 -23.832 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.886 -25.651 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.718 -25.472 0.597 1.00 0.00 H new ATOM 844 N ALA A 84 -11.720 -23.835 0.535 1.00 0.00 N ATOM 845 CA ALA A 84 -10.717 -23.989 1.587 1.00 0.00 C ATOM 846 C ALA A 84 -9.883 -22.718 1.769 1.00 0.00 C ATOM 847 O ALA A 84 -9.627 -22.308 2.902 1.00 0.00 O ATOM 848 CB ALA A 84 -9.834 -25.194 1.278 1.00 0.00 C ATOM 0 H ALA A 84 -11.593 -24.465 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.232 -24.160 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.086 -25.308 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.449 -26.093 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.335 -25.043 0.321 1.00 0.00 H new ATOM 854 N TYR A 85 -9.512 -22.054 0.669 1.00 0.00 N ATOM 855 CA TYR A 85 -8.867 -20.749 0.723 1.00 0.00 C ATOM 856 C TYR A 85 -9.751 -19.746 1.482 1.00 0.00 C ATOM 857 O TYR A 85 -9.277 -19.069 2.392 1.00 0.00 O ATOM 858 CB TYR A 85 -8.550 -20.284 -0.705 1.00 0.00 C ATOM 859 CG TYR A 85 -8.138 -18.831 -0.804 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.823 -18.449 -0.487 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.072 -17.862 -1.206 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.426 -17.104 -0.572 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.693 -16.511 -1.270 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.362 -16.127 -0.978 1.00 0.00 C ATOM 865 OH TYR A 85 -6.975 -14.823 -1.087 1.00 0.00 O ATOM 0 H TYR A 85 -9.652 -22.409 -0.277 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.928 -20.818 1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.751 -20.906 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.427 -20.445 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.110 -19.198 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.079 -18.155 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.413 -16.819 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.421 -15.761 -1.543 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.737 -14.279 -1.378 1.00 0.00 H new ATOM 875 N LEU A 86 -11.051 -19.692 1.162 1.00 0.00 N ATOM 876 CA LEU A 86 -12.001 -18.771 1.789 1.00 0.00 C ATOM 877 C LEU A 86 -12.276 -19.128 3.262 1.00 0.00 C ATOM 878 O LEU A 86 -12.415 -18.228 4.088 1.00 0.00 O ATOM 879 CB LEU A 86 -13.294 -18.746 0.948 1.00 0.00 C ATOM 880 CG LEU A 86 -13.118 -18.174 -0.472 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.216 -18.691 -1.401 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.116 -16.646 -0.431 1.00 0.00 C ATOM 0 H LEU A 86 -11.474 -20.293 0.454 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.566 -17.772 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.683 -19.761 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.044 -18.155 1.474 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.158 -18.509 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.074 -18.276 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.168 -19.779 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.190 -18.388 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.991 -16.255 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.061 -16.292 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.295 -16.300 0.196 1.00 0.00 H new ATOM 894 N ARG A 87 -12.303 -20.419 3.629 1.00 0.00 N ATOM 895 CA ARG A 87 -12.350 -20.867 5.042 1.00 0.00 C ATOM 896 C ARG A 87 -11.157 -20.305 5.814 1.00 0.00 C ATOM 897 O ARG A 87 -11.307 -19.945 6.976 1.00 0.00 O ATOM 898 CB ARG A 87 -12.292 -22.411 5.205 1.00 0.00 C ATOM 899 CG ARG A 87 -13.598 -23.229 5.162 1.00 0.00 C ATOM 900 CD ARG A 87 -14.099 -23.462 3.734 1.00 0.00 C ATOM 901 NE ARG A 87 -14.988 -24.626 3.539 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.153 -24.939 4.126 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.631 -24.260 5.170 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.848 -25.959 3.641 1.00 0.00 N ATOM 0 H ARG A 87 -12.293 -21.187 2.958 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.303 -20.504 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.639 -22.798 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.807 -22.621 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.436 -24.191 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.367 -22.709 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.628 -22.567 3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.234 -23.578 3.081 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.663 -25.301 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.106 -23.472 5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.521 -24.529 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.493 -26.483 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.737 -26.219 4.068 1.00 0.00 H new ATOM 918 N SER A 88 -9.984 -20.252 5.186 1.00 0.00 N ATOM 919 CA SER A 88 -8.704 -19.950 5.822 1.00 0.00 C ATOM 920 C SER A 88 -8.446 -18.454 6.089 1.00 0.00 C ATOM 921 O SER A 88 -7.318 -18.088 6.427 1.00 0.00 O ATOM 922 CB SER A 88 -7.589 -20.612 5.004 1.00 0.00 C ATOM 923 OG SER A 88 -7.833 -22.008 4.907 1.00 0.00 O ATOM 0 H SER A 88 -9.896 -20.424 4.185 1.00 0.00 H new ATOM 0 HA SER A 88 -8.727 -20.370 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.544 -20.171 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.623 -20.433 5.476 1.00 0.00 H new ATOM 0 HG SER A 88 -8.380 -22.190 4.115 1.00 0.00 H new ATOM 929 N VAL A 89 -9.451 -17.579 5.961 1.00 0.00 N ATOM 930 CA VAL A 89 -9.342 -16.139 6.238 1.00 0.00 C ATOM 931 C VAL A 89 -10.465 -15.667 7.198 1.00 0.00 C ATOM 932 O VAL A 89 -11.049 -14.603 6.993 1.00 0.00 O ATOM 933 CB VAL A 89 -9.195 -15.410 4.871 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.300 -15.773 3.862 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.026 -13.885 4.965 1.00 0.00 C ATOM 0 H VAL A 89 -10.384 -17.857 5.655 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.449 -15.877 6.806 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.251 -15.797 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.136 -15.229 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.275 -16.845 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.272 -15.502 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.931 -13.467 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.896 -13.452 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.130 -13.653 5.541 1.00 0.00 H new ATOM 945 N PRO A 90 -10.796 -16.399 8.288 1.00 0.00 N ATOM 946 CA PRO A 90 -11.987 -16.108 9.089 1.00 0.00 C ATOM 947 C PRO A 90 -11.893 -14.799 9.892 1.00 0.00 C ATOM 948 O PRO A 90 -12.915 -14.279 10.344 1.00 0.00 O ATOM 949 CB PRO A 90 -12.156 -17.323 10.004 1.00 0.00 C ATOM 950 CG PRO A 90 -10.726 -17.797 10.235 1.00 0.00 C ATOM 951 CD PRO A 90 -10.031 -17.477 8.913 1.00 0.00 C ATOM 0 HA PRO A 90 -12.850 -15.948 8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.646 -17.055 10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.764 -18.097 9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.260 -17.276 11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.687 -18.862 10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.999 -17.171 9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.002 -18.355 8.268 1.00 0.00 H new ATOM 959 N ALA A 91 -10.683 -14.247 10.071 1.00 0.00 N ATOM 960 CA ALA A 91 -10.479 -12.999 10.806 1.00 0.00 C ATOM 961 C ALA A 91 -10.768 -11.757 9.955 1.00 0.00 C ATOM 962 O ALA A 91 -10.776 -10.648 10.491 1.00 0.00 O ATOM 963 CB ALA A 91 -9.038 -12.965 11.338 1.00 0.00 C ATOM 0 H ALA A 91 -9.822 -14.657 9.709 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.188 -12.975 11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.875 -12.038 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.875 -13.814 12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.340 -13.019 10.502 1.00 0.00 H new ATOM 969 N VAL A 92 -10.983 -11.916 8.642 1.00 0.00 N ATOM 970 CA VAL A 92 -11.126 -10.799 7.698 1.00 0.00 C ATOM 971 C VAL A 92 -12.310 -11.035 6.751 1.00 0.00 C ATOM 972 O VAL A 92 -12.878 -10.081 6.216 1.00 0.00 O ATOM 973 CB VAL A 92 -9.790 -10.596 6.937 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.782 -9.284 6.150 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.542 -10.590 7.840 1.00 0.00 C ATOM 0 H VAL A 92 -11.063 -12.832 8.201 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.345 -9.881 8.244 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.736 -11.459 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.830 -9.177 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.594 -9.291 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.917 -8.448 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.651 -10.443 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.622 -9.781 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.468 -11.542 8.365 1.00 0.00 H new ATOM 985 N VAL A 93 -12.732 -12.284 6.569 1.00 0.00 N ATOM 986 CA VAL A 93 -13.727 -12.720 5.598 1.00 0.00 C ATOM 987 C VAL A 93 -14.674 -13.692 6.317 1.00 0.00 C ATOM 988 O VAL A 93 -14.373 -14.207 7.395 1.00 0.00 O ATOM 989 CB VAL A 93 -12.963 -13.318 4.391 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.766 -14.177 3.397 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.246 -12.201 3.610 1.00 0.00 C ATOM 0 H VAL A 93 -12.369 -13.058 7.125 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.350 -11.918 5.202 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.270 -14.016 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.106 -14.529 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.195 -15.032 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.567 -13.578 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.712 -12.634 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.980 -11.482 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.537 -11.696 4.266 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.842 -13.924 5.724 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.916 -14.768 6.239 1.00 0.00 C ATOM 1003 C ARG A 94 -17.441 -15.552 5.053 1.00 0.00 C ATOM 1004 O ARG A 94 -17.336 -15.090 3.918 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.980 -13.869 6.904 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.287 -14.583 7.293 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.271 -13.646 8.007 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.850 -12.637 7.093 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.098 -12.644 6.595 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.885 -13.707 6.716 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.556 -11.564 5.965 1.00 0.00 N ATOM 0 H ARG A 94 -16.077 -13.506 4.824 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.589 -15.469 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.548 -13.422 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.219 -13.052 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.758 -14.987 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.058 -15.428 7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.074 -14.235 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.759 -13.140 8.825 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.245 -11.864 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.545 -14.541 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.829 -13.689 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.961 -10.742 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.502 -11.559 5.583 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.028 -16.715 5.291 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.667 -17.506 4.252 1.00 0.00 C ATOM 1027 C ILE A 95 -19.937 -18.127 4.834 1.00 0.00 C ATOM 1028 O ILE A 95 -20.015 -18.381 6.037 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.691 -18.571 3.691 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.175 -19.545 4.762 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.505 -17.913 2.965 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.230 -20.620 4.221 1.00 0.00 C ATOM 0 H ILE A 95 -18.074 -17.139 6.218 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.942 -16.874 3.408 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.271 -19.156 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.658 -18.978 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.027 -20.031 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.838 -18.686 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.875 -17.310 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -15.960 -17.276 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.910 -21.267 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.748 -21.214 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.358 -20.145 3.771 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.909 -18.400 3.966 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.129 -19.110 4.295 1.00 0.00 C ATOM 1046 C GLU A 96 -22.243 -20.220 3.248 1.00 0.00 C ATOM 1047 O GLU A 96 -22.574 -19.954 2.090 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.342 -18.158 4.283 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.230 -16.941 5.219 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.095 -17.251 6.725 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.502 -18.346 7.184 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -22.577 -16.368 7.455 1.00 0.00 O ATOM 0 H GLU A 96 -20.861 -18.122 2.986 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.108 -19.528 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.492 -17.800 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.232 -18.726 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.367 -16.351 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.111 -16.316 5.075 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.883 -21.449 3.622 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.132 -22.628 2.802 1.00 0.00 C ATOM 1061 C ALA A 97 -23.613 -22.994 2.965 1.00 0.00 C ATOM 1062 O ALA A 97 -24.073 -23.265 4.078 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.210 -23.777 3.229 1.00 0.00 C ATOM 0 H ALA A 97 -21.411 -21.651 4.503 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.918 -22.430 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.407 -24.651 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.170 -23.473 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.397 -24.024 4.274 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.613 -22.034 -1.802 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.095 -21.193 -0.731 1.00 0.00 C ATOM 1139 C ILE A 103 -21.058 -19.764 -1.245 1.00 0.00 C ATOM 1140 O ILE A 103 -20.716 -19.530 -2.407 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.752 -21.739 -0.158 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.046 -20.756 0.802 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.754 -22.299 -1.183 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.107 -19.739 0.123 1.00 0.00 C ATOM 0 HA ILE A 103 -21.750 -21.209 0.140 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.092 -22.602 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.806 -20.209 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.470 -21.331 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.860 -22.648 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.211 -23.130 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.482 -21.516 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.660 -19.095 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.320 -20.271 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.676 -19.131 -0.580 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.417 -18.824 -0.375 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.479 -17.397 -0.648 1.00 0.00 C ATOM 1158 C VAL A 104 -20.480 -16.743 0.301 1.00 0.00 C ATOM 1159 O VAL A 104 -20.467 -17.048 1.492 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.927 -16.891 -0.436 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.088 -15.502 -1.076 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -23.997 -17.844 -1.012 1.00 0.00 C ATOM 0 H VAL A 104 -21.684 -19.050 0.583 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.221 -17.151 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.087 -16.844 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.108 -15.148 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.390 -14.805 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.881 -15.567 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -24.989 -17.430 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.843 -17.958 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.915 -18.817 -0.528 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.596 -15.904 -0.231 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.524 -15.254 0.512 1.00 0.00 C ATOM 1174 C CYS A 105 -18.962 -13.855 0.931 1.00 0.00 C ATOM 1175 O CYS A 105 -19.692 -13.207 0.183 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.279 -15.153 -0.385 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.030 -16.653 -1.381 1.00 0.00 S ATOM 0 H CYS A 105 -19.607 -15.651 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.292 -15.838 1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.378 -14.292 -1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.399 -14.980 0.235 1.00 0.00 H new ATOM 0 HG CYS A 105 -17.911 -16.691 -2.336 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.433 -13.367 2.053 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.743 -12.068 2.647 1.00 0.00 C ATOM 1185 C TYR A 106 -17.499 -11.496 3.319 1.00 0.00 C ATOM 1186 O TYR A 106 -16.532 -12.221 3.551 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.823 -12.266 3.709 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.163 -12.668 3.158 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.000 -11.683 2.604 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.567 -14.018 3.205 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.284 -12.035 2.160 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.838 -14.376 2.723 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.713 -13.384 2.214 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.963 -13.708 1.774 1.00 0.00 O ATOM 0 H TYR A 106 -17.746 -13.890 2.596 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.084 -11.383 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.489 -13.028 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.937 -11.340 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.657 -10.662 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.906 -14.771 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.948 -11.274 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.149 -15.410 2.741 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.106 -14.672 1.876 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.513 -10.207 3.670 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.419 -9.582 4.408 1.00 0.00 C ATOM 1206 C ALA A 107 -16.635 -9.727 5.917 1.00 0.00 C ATOM 1207 O ALA A 107 -17.733 -10.059 6.364 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.330 -8.100 4.041 1.00 0.00 C ATOM 0 H ALA A 107 -18.281 -9.572 3.450 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.488 -10.081 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.513 -7.637 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.147 -8.000 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.267 -7.605 4.296 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.593 -9.406 6.683 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.654 -9.272 8.146 1.00 0.00 C ATOM 1216 C VAL A 108 -14.783 -8.116 8.671 1.00 0.00 C ATOM 1217 O VAL A 108 -15.152 -7.502 9.674 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.353 -10.647 8.801 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.283 -10.657 9.901 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.638 -11.244 9.391 1.00 0.00 C ATOM 0 H VAL A 108 -14.664 -9.228 6.302 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.665 -8.987 8.439 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.949 -11.240 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.161 -11.671 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.336 -10.307 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.591 -9.999 10.714 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.415 -12.208 9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.039 -10.569 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.374 -11.380 8.598 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.667 -7.780 8.008 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.804 -6.651 8.359 1.00 0.00 C ATOM 1232 C ALA A 109 -12.212 -6.070 7.073 1.00 0.00 C ATOM 1233 O ALA A 109 -12.843 -6.266 6.012 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.713 -7.100 9.347 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.148 -5.413 7.123 1.00 0.00 O ATOM 0 H ALA A 109 -13.335 -8.299 7.195 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.381 -5.872 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.079 -6.250 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.179 -7.486 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.107 -7.882 8.889 1.00 0.00 H new