USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 27 SER OG : rot 99:sc= 1.16 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.797 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -0.107 (180deg=-0.798) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -6.24! C(o=-6.2!,f=-19!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -5.76! C(o=-5.8!,f=-5.7!) USER MOD Single : A 35 MET CE :methyl 157:sc= 0 (180deg=-0.464) USER MOD Single : A 37 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0157 (180deg=-0.289) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.82 F(o=-1.4,f=-0.82) USER MOD Single : A 50 MET CE :methyl -160:sc= -2.08 (180deg=-4.19!) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.131 (180deg=-0.812) USER MOD Single : A 61 GLN : amide:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : A 63 ASN : amide:sc= -3.72 K(o=-3.7,f=-16!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -137:sc= -2.55 (180deg=-4.76!) USER MOD Single : A 71 MET CE :methyl -141:sc= -0.299 (180deg=-1.73) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 75:sc= 0.385 USER MOD Single : A 81 ASN : amide:sc= -0.706 K(o=-0.71,f=-3.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.143 -0.912 -2.632 1.00 0.00 N ATOM 108 CA GLU A 9 13.822 -0.294 -3.912 1.00 0.00 C ATOM 109 C GLU A 9 12.374 -0.566 -4.290 1.00 0.00 C ATOM 110 O GLU A 9 11.672 0.323 -4.775 1.00 0.00 O ATOM 111 CB GLU A 9 14.739 -0.851 -5.004 1.00 0.00 C ATOM 112 CG GLU A 9 16.187 -0.438 -4.721 1.00 0.00 C ATOM 113 CD GLU A 9 16.767 -1.304 -3.608 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.511 -2.497 -3.620 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.461 -0.763 -2.766 1.00 0.00 O ATOM 0 HA GLU A 9 13.970 0.782 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.661 -1.938 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.428 -0.477 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.787 -0.543 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.225 0.613 -4.433 1.00 0.00 H new ATOM 122 N GLU A 10 11.923 -1.801 -4.065 1.00 0.00 N ATOM 123 CA GLU A 10 10.548 -2.154 -4.399 1.00 0.00 C ATOM 124 C GLU A 10 9.549 -1.291 -3.633 1.00 0.00 C ATOM 125 O GLU A 10 8.670 -0.667 -4.228 1.00 0.00 O ATOM 126 CB GLU A 10 10.304 -3.627 -4.068 1.00 0.00 C ATOM 127 CG GLU A 10 8.880 -4.024 -4.455 1.00 0.00 C ATOM 128 CD GLU A 10 8.639 -5.494 -4.133 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.611 -6.211 -3.965 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.483 -5.882 -4.064 1.00 0.00 O ATOM 0 H GLU A 10 12.477 -2.556 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 10 10.403 -1.979 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.021 -4.251 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.461 -3.799 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.163 -3.404 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.721 -3.846 -5.519 1.00 0.00 H new ATOM 137 N LEU A 11 9.681 -1.270 -2.315 1.00 0.00 N ATOM 138 CA LEU A 11 8.776 -0.494 -1.483 1.00 0.00 C ATOM 139 C LEU A 11 8.901 0.991 -1.781 1.00 0.00 C ATOM 140 O LEU A 11 7.897 1.701 -1.852 1.00 0.00 O ATOM 141 CB LEU A 11 9.083 -0.751 0.005 1.00 0.00 C ATOM 142 CG LEU A 11 8.319 -1.984 0.497 1.00 0.00 C ATOM 143 CD1 LEU A 11 8.898 -3.244 -0.141 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.434 -2.078 2.016 1.00 0.00 C ATOM 0 H LEU A 11 10.401 -1.778 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 11 7.756 -0.806 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.154 -0.899 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.803 0.120 0.597 1.00 0.00 H new ATOM 0 HG LEU A 11 7.270 -1.894 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.349 -4.117 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.810 -3.176 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.949 -3.340 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.891 -2.955 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.484 -2.164 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.010 -1.182 2.469 1.00 0.00 H new ATOM 156 N LYS A 12 10.134 1.456 -1.946 1.00 0.00 N ATOM 157 CA LYS A 12 10.369 2.866 -2.228 1.00 0.00 C ATOM 158 C LYS A 12 9.790 3.253 -3.584 1.00 0.00 C ATOM 159 O LYS A 12 9.047 4.227 -3.697 1.00 0.00 O ATOM 160 CB LYS A 12 11.872 3.155 -2.207 1.00 0.00 C ATOM 161 CG LYS A 12 12.358 3.229 -0.760 1.00 0.00 C ATOM 162 CD LYS A 12 13.875 3.413 -0.738 1.00 0.00 C ATOM 163 CE LYS A 12 14.342 3.664 0.699 1.00 0.00 C ATOM 164 NZ LYS A 12 14.222 5.116 1.011 1.00 0.00 N ATOM 0 H LYS A 12 10.977 0.885 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 12 9.872 3.458 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.411 2.374 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.079 4.094 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.873 4.058 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.084 2.319 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.365 2.526 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.159 4.251 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.741 3.080 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.375 3.339 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.539 5.289 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.814 5.663 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.230 5.412 0.912 1.00 0.00 H new ATOM 178 N GLU A 13 10.132 2.482 -4.612 1.00 0.00 N ATOM 179 CA GLU A 13 9.634 2.758 -5.954 1.00 0.00 C ATOM 180 C GLU A 13 8.110 2.845 -5.949 1.00 0.00 C ATOM 181 O GLU A 13 7.532 3.864 -6.345 1.00 0.00 O ATOM 182 CB GLU A 13 10.086 1.646 -6.910 1.00 0.00 C ATOM 183 CG GLU A 13 11.573 1.819 -7.238 1.00 0.00 C ATOM 184 CD GLU A 13 11.766 3.035 -8.135 1.00 0.00 C ATOM 185 OE1 GLU A 13 10.810 3.429 -8.780 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.870 3.554 -8.164 1.00 0.00 O ATOM 0 H GLU A 13 10.745 1.670 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 13 10.038 3.713 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.915 0.670 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.496 1.678 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.146 1.939 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.952 0.926 -7.735 1.00 0.00 H new ATOM 193 N ALA A 14 7.465 1.779 -5.483 1.00 0.00 N ATOM 194 CA ALA A 14 6.008 1.754 -5.422 1.00 0.00 C ATOM 195 C ALA A 14 5.496 2.935 -4.607 1.00 0.00 C ATOM 196 O ALA A 14 4.537 3.602 -4.997 1.00 0.00 O ATOM 197 CB ALA A 14 5.539 0.447 -4.785 1.00 0.00 C ATOM 0 H ALA A 14 7.922 0.931 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 14 5.612 1.824 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.450 0.434 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.889 -0.395 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.943 0.369 -3.776 1.00 0.00 H new ATOM 203 N PHE A 15 6.142 3.194 -3.475 1.00 0.00 N ATOM 204 CA PHE A 15 5.738 4.299 -2.612 1.00 0.00 C ATOM 205 C PHE A 15 5.725 5.606 -3.399 1.00 0.00 C ATOM 206 O PHE A 15 4.787 6.397 -3.289 1.00 0.00 O ATOM 207 CB PHE A 15 6.711 4.423 -1.437 1.00 0.00 C ATOM 208 CG PHE A 15 6.266 5.549 -0.530 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.126 5.392 0.269 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.990 6.746 -0.489 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.713 6.433 1.108 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.576 7.786 0.350 1.00 0.00 C ATOM 213 CZ PHE A 15 5.438 7.630 1.149 1.00 0.00 C ATOM 0 H PHE A 15 6.941 2.659 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 15 4.735 4.099 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.747 3.486 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.719 4.615 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.567 4.469 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.869 6.867 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.834 6.313 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.135 8.710 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.119 8.433 1.797 1.00 0.00 H new ATOM 223 N LYS A 16 6.767 5.826 -4.196 1.00 0.00 N ATOM 224 CA LYS A 16 6.860 7.039 -5.000 1.00 0.00 C ATOM 225 C LYS A 16 5.719 7.097 -6.013 1.00 0.00 C ATOM 226 O LYS A 16 5.210 8.172 -6.329 1.00 0.00 O ATOM 227 CB LYS A 16 8.203 7.079 -5.729 1.00 0.00 C ATOM 228 CG LYS A 16 8.358 8.428 -6.436 1.00 0.00 C ATOM 229 CD LYS A 16 9.748 8.514 -7.070 1.00 0.00 C ATOM 230 CE LYS A 16 9.909 9.868 -7.761 1.00 0.00 C ATOM 231 NZ LYS A 16 9.728 10.959 -6.760 1.00 0.00 N ATOM 0 H LYS A 16 7.553 5.185 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 16 6.784 7.902 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.018 6.931 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.260 6.267 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.590 8.540 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.220 9.242 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.516 8.389 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.881 7.707 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.895 9.940 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.177 9.969 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.397 11.729 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.755 11.322 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.906 10.587 -5.805 1.00 0.00 H new ATOM 245 N VAL A 17 5.323 5.932 -6.514 1.00 0.00 N ATOM 246 CA VAL A 17 4.231 5.854 -7.481 1.00 0.00 C ATOM 247 C VAL A 17 2.893 6.127 -6.799 1.00 0.00 C ATOM 248 O VAL A 17 2.001 6.748 -7.378 1.00 0.00 O ATOM 249 CB VAL A 17 4.211 4.480 -8.144 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.040 4.405 -9.127 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.525 4.264 -8.900 1.00 0.00 C ATOM 0 H VAL A 17 5.738 5.033 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 17 4.392 6.613 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 17 4.096 3.709 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.025 3.424 -9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.104 4.563 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.156 5.175 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.514 3.283 -9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.637 5.035 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.360 4.320 -8.202 1.00 0.00 H new ATOM 261 N PHE A 18 2.758 5.647 -5.568 1.00 0.00 N ATOM 262 CA PHE A 18 1.525 5.845 -4.815 1.00 0.00 C ATOM 263 C PHE A 18 1.278 7.325 -4.563 1.00 0.00 C ATOM 264 O PHE A 18 0.161 7.816 -4.737 1.00 0.00 O ATOM 265 CB PHE A 18 1.604 5.092 -3.471 1.00 0.00 C ATOM 266 CG PHE A 18 0.860 3.781 -3.569 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.538 3.788 -3.673 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.556 2.572 -3.559 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.235 2.583 -3.768 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.859 1.367 -3.654 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.539 1.372 -3.756 1.00 0.00 C ATOM 0 H PHE A 18 3.480 5.123 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 18 0.696 5.451 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.646 4.910 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.177 5.704 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.075 4.725 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.633 2.569 -3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.312 2.587 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.397 0.430 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.078 0.439 -3.825 1.00 0.00 H new ATOM 281 N ASP A 19 2.323 8.029 -4.146 1.00 0.00 N ATOM 282 CA ASP A 19 2.202 9.448 -3.862 1.00 0.00 C ATOM 283 C ASP A 19 2.243 10.267 -5.148 1.00 0.00 C ATOM 284 O ASP A 19 3.226 10.951 -5.426 1.00 0.00 O ATOM 285 CB ASP A 19 3.337 9.893 -2.934 1.00 0.00 C ATOM 286 CG ASP A 19 3.143 9.301 -1.546 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.100 9.547 -0.963 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.043 8.621 -1.080 1.00 0.00 O ATOM 0 H ASP A 19 3.255 7.642 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 19 1.242 9.617 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.296 9.575 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.362 10.981 -2.873 1.00 0.00 H new ATOM 293 N LYS A 20 1.167 10.193 -5.921 1.00 0.00 N ATOM 294 CA LYS A 20 1.087 10.930 -7.176 1.00 0.00 C ATOM 295 C LYS A 20 1.305 12.419 -6.923 1.00 0.00 C ATOM 296 O LYS A 20 2.039 13.080 -7.655 1.00 0.00 O ATOM 297 CB LYS A 20 -0.282 10.712 -7.825 1.00 0.00 C ATOM 298 CG LYS A 20 -0.330 11.437 -9.171 1.00 0.00 C ATOM 299 CD LYS A 20 -1.660 11.135 -9.865 1.00 0.00 C ATOM 300 CE LYS A 20 -1.701 11.848 -11.218 1.00 0.00 C ATOM 301 NZ LYS A 20 -2.950 11.473 -11.938 1.00 0.00 N ATOM 0 H LYS A 20 0.342 9.634 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 20 1.864 10.565 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.463 9.647 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.070 11.085 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.221 12.511 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.501 11.116 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.774 10.060 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.491 11.466 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.662 12.928 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.829 11.574 -11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.979 11.957 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.969 10.444 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.775 11.756 -11.372 1.00 0.00 H new ATOM 315 N ASP A 21 0.664 12.937 -5.881 1.00 0.00 N ATOM 316 CA ASP A 21 0.802 14.347 -5.532 1.00 0.00 C ATOM 317 C ASP A 21 2.189 14.626 -4.967 1.00 0.00 C ATOM 318 O ASP A 21 2.662 15.760 -4.996 1.00 0.00 O ATOM 319 CB ASP A 21 -0.268 14.743 -4.511 1.00 0.00 C ATOM 320 CG ASP A 21 -0.403 13.657 -3.455 1.00 0.00 C ATOM 321 OD1 ASP A 21 -0.512 12.503 -3.831 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.394 13.992 -2.282 1.00 0.00 O ATOM 0 H ASP A 21 0.047 12.406 -5.266 1.00 0.00 H new ATOM 0 HA ASP A 21 0.670 14.941 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.001 15.689 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.224 14.895 -5.013 1.00 0.00 H new ATOM 327 N GLN A 22 2.835 13.583 -4.456 1.00 0.00 N ATOM 328 CA GLN A 22 4.171 13.723 -3.890 1.00 0.00 C ATOM 329 C GLN A 22 4.136 14.581 -2.628 1.00 0.00 C ATOM 330 O GLN A 22 5.065 15.341 -2.354 1.00 0.00 O ATOM 331 CB GLN A 22 5.110 14.357 -4.925 1.00 0.00 C ATOM 332 CG GLN A 22 6.564 14.051 -4.557 1.00 0.00 C ATOM 333 CD GLN A 22 7.498 14.616 -5.617 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.089 14.828 -6.758 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.737 14.878 -5.304 1.00 0.00 N ATOM 0 H GLN A 22 2.457 12.636 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 22 4.540 12.732 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.887 13.969 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.953 15.435 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.800 14.483 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.707 12.974 -4.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.072 14.701 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.371 15.260 -6.006 1.00 0.00 H new ATOM 344 N ASN A 23 3.059 14.461 -1.864 1.00 0.00 N ATOM 345 CA ASN A 23 2.918 15.233 -0.634 1.00 0.00 C ATOM 346 C ASN A 23 3.628 14.527 0.517 1.00 0.00 C ATOM 347 O ASN A 23 3.659 15.029 1.640 1.00 0.00 O ATOM 348 CB ASN A 23 1.437 15.413 -0.297 1.00 0.00 C ATOM 349 CG ASN A 23 0.813 14.069 0.058 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.512 13.066 0.152 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.469 13.989 0.270 1.00 0.00 N ATOM 0 H ASN A 23 2.275 13.842 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 23 3.373 16.212 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.328 16.105 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.914 15.853 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.891 13.093 0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.052 14.822 0.192 1.00 0.00 H new ATOM 358 N GLY A 24 4.196 13.359 0.229 1.00 0.00 N ATOM 359 CA GLY A 24 4.905 12.593 1.248 1.00 0.00 C ATOM 360 C GLY A 24 3.938 11.800 2.118 1.00 0.00 C ATOM 361 O GLY A 24 4.271 11.408 3.234 1.00 0.00 O ATOM 0 H GLY A 24 4.179 12.926 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.609 11.912 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.489 13.269 1.873 1.00 0.00 H new ATOM 365 N TYR A 25 2.736 11.574 1.602 1.00 0.00 N ATOM 366 CA TYR A 25 1.722 10.830 2.341 1.00 0.00 C ATOM 367 C TYR A 25 0.723 10.197 1.387 1.00 0.00 C ATOM 368 O TYR A 25 0.493 10.700 0.296 1.00 0.00 O ATOM 369 CB TYR A 25 0.991 11.758 3.310 1.00 0.00 C ATOM 370 CG TYR A 25 1.974 12.319 4.307 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.451 11.512 5.350 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.414 13.643 4.193 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.363 12.031 6.275 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.327 14.162 5.118 1.00 0.00 C ATOM 375 CZ TYR A 25 3.801 13.355 6.159 1.00 0.00 C ATOM 376 OH TYR A 25 4.700 13.867 7.073 1.00 0.00 O ATOM 0 H TYR A 25 2.440 11.893 0.680 1.00 0.00 H new ATOM 0 HA TYR A 25 2.219 10.040 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.510 12.568 2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.203 11.212 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.114 10.490 5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.048 14.265 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.729 11.410 7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.665 15.184 5.029 1.00 0.00 H new ATOM 0 HH TYR A 25 4.901 14.799 6.848 1.00 0.00 H new ATOM 386 N ILE A 26 0.122 9.089 1.809 1.00 0.00 N ATOM 387 CA ILE A 26 -0.860 8.389 0.975 1.00 0.00 C ATOM 388 C ILE A 26 -2.259 8.567 1.540 1.00 0.00 C ATOM 389 O ILE A 26 -2.472 8.449 2.745 1.00 0.00 O ATOM 390 CB ILE A 26 -0.518 6.905 0.903 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.868 6.729 0.283 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.558 6.183 0.045 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.315 5.273 0.432 1.00 0.00 C ATOM 0 H ILE A 26 0.293 8.656 2.716 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.830 8.814 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.521 6.483 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.844 7.007 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.583 7.391 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.314 5.122 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.546 6.307 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.557 6.605 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.303 5.149 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.355 5.011 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.605 4.621 -0.077 1.00 0.00 H new ATOM 405 N SER A 27 -3.216 8.859 0.661 1.00 0.00 N ATOM 406 CA SER A 27 -4.603 9.060 1.084 1.00 0.00 C ATOM 407 C SER A 27 -5.549 8.248 0.211 1.00 0.00 C ATOM 408 O SER A 27 -5.212 7.880 -0.915 1.00 0.00 O ATOM 409 CB SER A 27 -4.965 10.542 0.987 1.00 0.00 C ATOM 410 OG SER A 27 -4.697 11.008 -0.330 1.00 0.00 O ATOM 0 H SER A 27 -3.060 8.961 -0.342 1.00 0.00 H new ATOM 0 HA SER A 27 -4.702 8.727 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.018 10.687 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.389 11.117 1.712 1.00 0.00 H new ATOM 0 HG SER A 27 -5.529 11.023 -0.847 1.00 0.00 H new ATOM 416 N ALA A 28 -6.733 7.964 0.740 1.00 0.00 N ATOM 417 CA ALA A 28 -7.724 7.187 0.005 1.00 0.00 C ATOM 418 C ALA A 28 -7.773 7.623 -1.457 1.00 0.00 C ATOM 419 O ALA A 28 -7.888 6.792 -2.358 1.00 0.00 O ATOM 420 CB ALA A 28 -9.109 7.376 0.634 1.00 0.00 C ATOM 0 H ALA A 28 -7.030 8.258 1.671 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.438 6.136 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.843 6.792 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.087 7.040 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.383 8.430 0.600 1.00 0.00 H new ATOM 426 N SER A 29 -7.683 8.930 -1.684 1.00 0.00 N ATOM 427 CA SER A 29 -7.726 9.459 -3.041 1.00 0.00 C ATOM 428 C SER A 29 -6.581 8.893 -3.876 1.00 0.00 C ATOM 429 O SER A 29 -6.794 8.410 -4.991 1.00 0.00 O ATOM 430 CB SER A 29 -7.623 10.985 -3.005 1.00 0.00 C ATOM 431 OG SER A 29 -6.396 11.361 -2.390 1.00 0.00 O ATOM 0 H SER A 29 -7.581 9.635 -0.954 1.00 0.00 H new ATOM 0 HA SER A 29 -8.672 9.165 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.674 11.388 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.463 11.404 -2.452 1.00 0.00 H new ATOM 0 HG SER A 29 -6.328 12.338 -2.367 1.00 0.00 H new ATOM 437 N GLU A 30 -5.370 8.952 -3.332 1.00 0.00 N ATOM 438 CA GLU A 30 -4.203 8.440 -4.042 1.00 0.00 C ATOM 439 C GLU A 30 -4.301 6.927 -4.203 1.00 0.00 C ATOM 440 O GLU A 30 -4.047 6.384 -5.281 1.00 0.00 O ATOM 441 CB GLU A 30 -2.931 8.794 -3.267 1.00 0.00 C ATOM 442 CG GLU A 30 -2.818 10.314 -3.139 1.00 0.00 C ATOM 443 CD GLU A 30 -1.601 10.678 -2.296 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.740 9.829 -2.131 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.534 11.808 -1.844 1.00 0.00 O ATOM 0 H GLU A 30 -5.172 9.345 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.166 8.897 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.956 8.336 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.056 8.396 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.734 10.765 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.721 10.717 -2.681 1.00 0.00 H new ATOM 452 N LEU A 31 -4.679 6.249 -3.126 1.00 0.00 N ATOM 453 CA LEU A 31 -4.806 4.800 -3.158 1.00 0.00 C ATOM 454 C LEU A 31 -5.862 4.375 -4.170 1.00 0.00 C ATOM 455 O LEU A 31 -5.665 3.426 -4.932 1.00 0.00 O ATOM 456 CB LEU A 31 -5.191 4.279 -1.770 1.00 0.00 C ATOM 457 CG LEU A 31 -4.856 2.777 -1.668 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.406 2.603 -1.195 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.803 2.107 -0.671 1.00 0.00 C ATOM 0 H LEU A 31 -4.901 6.677 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.845 4.378 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.654 4.834 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.255 4.437 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.975 2.314 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.172 1.541 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.731 3.076 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.284 3.068 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.565 1.046 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.688 2.571 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.832 2.226 -1.010 1.00 0.00 H new ATOM 471 N ARG A 32 -6.982 5.085 -4.175 1.00 0.00 N ATOM 472 CA ARG A 32 -8.057 4.775 -5.104 1.00 0.00 C ATOM 473 C ARG A 32 -7.589 4.941 -6.547 1.00 0.00 C ATOM 474 O ARG A 32 -7.868 4.094 -7.398 1.00 0.00 O ATOM 475 CB ARG A 32 -9.249 5.710 -4.848 1.00 0.00 C ATOM 476 CG ARG A 32 -10.307 5.515 -5.940 1.00 0.00 C ATOM 477 CD ARG A 32 -11.491 6.435 -5.680 1.00 0.00 C ATOM 478 NE ARG A 32 -11.068 7.830 -5.723 1.00 0.00 N ATOM 479 CZ ARG A 32 -11.928 8.819 -5.484 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.174 8.548 -5.209 1.00 0.00 N ATOM 481 NH2 ARG A 32 -11.524 10.058 -5.526 1.00 0.00 N ATOM 0 H ARG A 32 -7.168 5.871 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.358 3.739 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.681 5.503 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.913 6.747 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.877 5.728 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.638 4.477 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.267 6.260 -6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.928 6.210 -4.707 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.096 8.052 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.490 7.579 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.832 9.305 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.550 10.270 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.182 10.815 -5.343 1.00 0.00 H new ATOM 495 N HIS A 33 -6.893 6.038 -6.823 1.00 0.00 N ATOM 496 CA HIS A 33 -6.428 6.303 -8.171 1.00 0.00 C ATOM 497 C HIS A 33 -5.547 5.158 -8.656 1.00 0.00 C ATOM 498 O HIS A 33 -5.604 4.762 -9.820 1.00 0.00 O ATOM 499 CB HIS A 33 -5.656 7.645 -8.197 1.00 0.00 C ATOM 500 CG HIS A 33 -4.196 7.407 -8.484 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.220 7.562 -7.523 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.552 6.974 -9.613 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.050 7.227 -8.083 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.192 6.861 -9.360 1.00 0.00 N ATOM 0 H HIS A 33 -6.642 6.749 -6.136 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.283 6.379 -8.843 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.080 8.301 -8.957 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.766 8.154 -7.239 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.362 7.874 -6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.030 6.754 -10.556 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.104 7.250 -7.563 1.00 0.00 H new ATOM 512 N VAL A 34 -4.709 4.663 -7.760 1.00 0.00 N ATOM 513 CA VAL A 34 -3.800 3.577 -8.107 1.00 0.00 C ATOM 514 C VAL A 34 -4.597 2.317 -8.417 1.00 0.00 C ATOM 515 O VAL A 34 -4.289 1.589 -9.361 1.00 0.00 O ATOM 516 CB VAL A 34 -2.831 3.306 -6.949 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.066 2.004 -7.207 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.833 4.460 -6.833 1.00 0.00 C ATOM 0 H VAL A 34 -4.637 4.990 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.226 3.866 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.399 3.218 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.379 1.816 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.772 1.177 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.502 2.091 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.146 4.265 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.270 4.549 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.371 5.389 -6.644 1.00 0.00 H new ATOM 528 N MET A 35 -5.612 2.053 -7.601 1.00 0.00 N ATOM 529 CA MET A 35 -6.428 0.855 -7.784 1.00 0.00 C ATOM 530 C MET A 35 -7.104 0.875 -9.149 1.00 0.00 C ATOM 531 O MET A 35 -7.177 -0.146 -9.828 1.00 0.00 O ATOM 532 CB MET A 35 -7.493 0.786 -6.683 1.00 0.00 C ATOM 533 CG MET A 35 -6.844 0.356 -5.364 1.00 0.00 C ATOM 534 SD MET A 35 -6.330 -1.376 -5.475 1.00 0.00 S ATOM 535 CE MET A 35 -5.395 -1.435 -3.929 1.00 0.00 C ATOM 0 H MET A 35 -5.888 2.643 -6.816 1.00 0.00 H new ATOM 0 HA MET A 35 -5.783 -0.022 -7.725 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.971 1.758 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.274 0.079 -6.963 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.983 0.988 -5.148 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.548 0.485 -4.542 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.330 -2.466 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.391 -1.044 -4.096 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.899 -0.830 -3.176 1.00 0.00 H new ATOM 545 N ILE A 36 -7.581 2.043 -9.550 1.00 0.00 N ATOM 546 CA ILE A 36 -8.234 2.184 -10.846 1.00 0.00 C ATOM 547 C ILE A 36 -7.228 2.044 -11.979 1.00 0.00 C ATOM 548 O ILE A 36 -7.494 1.376 -12.978 1.00 0.00 O ATOM 549 CB ILE A 36 -8.938 3.539 -10.935 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.919 3.690 -9.757 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.703 3.641 -12.263 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.237 2.966 -10.078 1.00 0.00 C ATOM 0 H ILE A 36 -7.530 2.902 -9.003 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.974 1.389 -10.944 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.194 4.334 -10.889 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.478 3.276 -8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.111 4.746 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.203 4.608 -12.322 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.004 3.543 -13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.446 2.845 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.926 3.077 -9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.682 3.400 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.039 1.908 -10.247 1.00 0.00 H new ATOM 564 N ASN A 37 -6.077 2.678 -11.813 1.00 0.00 N ATOM 565 CA ASN A 37 -5.030 2.620 -12.827 1.00 0.00 C ATOM 566 C ASN A 37 -4.625 1.172 -13.081 1.00 0.00 C ATOM 567 O ASN A 37 -4.238 0.810 -14.192 1.00 0.00 O ATOM 568 CB ASN A 37 -3.812 3.423 -12.369 1.00 0.00 C ATOM 569 CG ASN A 37 -2.695 3.306 -13.399 1.00 0.00 C ATOM 570 OD1 ASN A 37 -2.915 2.802 -14.502 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.500 3.740 -13.105 1.00 0.00 N ATOM 0 H ASN A 37 -5.843 3.236 -10.992 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.415 3.050 -13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.086 4.469 -12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.467 3.056 -11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.747 3.662 -13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.319 4.157 -12.192 1.00 0.00 H new ATOM 578 N LEU A 38 -4.720 0.346 -12.042 1.00 0.00 N ATOM 579 CA LEU A 38 -4.368 -1.065 -12.166 1.00 0.00 C ATOM 580 C LEU A 38 -5.484 -1.839 -12.857 1.00 0.00 C ATOM 581 O LEU A 38 -5.448 -3.069 -12.924 1.00 0.00 O ATOM 582 CB LEU A 38 -4.111 -1.660 -10.782 1.00 0.00 C ATOM 583 CG LEU A 38 -2.842 -1.041 -10.187 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.781 -1.347 -8.688 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.596 -1.624 -10.876 1.00 0.00 C ATOM 0 H LEU A 38 -5.035 0.626 -11.113 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.463 -1.143 -12.769 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.962 -1.469 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.001 -2.742 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.866 0.037 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.879 -0.907 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.657 -0.926 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.764 -2.426 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.700 -1.177 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.570 -2.704 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.634 -1.405 -11.943 1.00 0.00 H new ATOM 597 N GLY A 39 -6.468 -1.112 -13.373 1.00 0.00 N ATOM 598 CA GLY A 39 -7.588 -1.745 -14.061 1.00 0.00 C ATOM 599 C GLY A 39 -8.494 -2.469 -13.081 1.00 0.00 C ATOM 600 O GLY A 39 -9.159 -3.439 -13.441 1.00 0.00 O ATOM 0 H GLY A 39 -6.514 -0.094 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.160 -0.991 -14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.212 -2.450 -14.802 1.00 0.00 H new ATOM 604 N GLU A 40 -8.515 -1.997 -11.838 1.00 0.00 N ATOM 605 CA GLU A 40 -9.346 -2.611 -10.799 1.00 0.00 C ATOM 606 C GLU A 40 -10.345 -1.604 -10.257 1.00 0.00 C ATOM 607 O GLU A 40 -10.027 -0.434 -10.083 1.00 0.00 O ATOM 608 CB GLU A 40 -8.467 -3.126 -9.661 1.00 0.00 C ATOM 609 CG GLU A 40 -7.647 -4.320 -10.151 1.00 0.00 C ATOM 610 CD GLU A 40 -6.685 -4.775 -9.059 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.674 -4.150 -8.012 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.976 -5.741 -9.285 1.00 0.00 O ATOM 0 H GLU A 40 -7.970 -1.195 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.890 -3.447 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.804 -2.334 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.086 -3.420 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.311 -5.139 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.090 -4.046 -11.047 1.00 0.00 H new ATOM 619 N LYS A 41 -11.564 -2.067 -9.989 1.00 0.00 N ATOM 620 CA LYS A 41 -12.613 -1.191 -9.463 1.00 0.00 C ATOM 621 C LYS A 41 -12.996 -1.613 -8.054 1.00 0.00 C ATOM 622 O LYS A 41 -13.734 -2.579 -7.865 1.00 0.00 O ATOM 623 CB LYS A 41 -13.843 -1.255 -10.368 1.00 0.00 C ATOM 624 CG LYS A 41 -14.848 -0.187 -9.933 1.00 0.00 C ATOM 625 CD LYS A 41 -16.020 -0.160 -10.914 1.00 0.00 C ATOM 626 CE LYS A 41 -16.997 0.947 -10.513 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.648 0.593 -9.221 1.00 0.00 N ATOM 0 H LYS A 41 -11.850 -3.036 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.234 -0.169 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.553 -1.096 -11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.299 -2.244 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.208 -0.399 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.365 0.790 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.656 0.011 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.528 -1.124 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.469 1.896 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.752 1.079 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.490 1.187 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.930 -0.408 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.979 0.752 -8.440 1.00 0.00 H new ATOM 641 N LEU A 42 -12.488 -0.882 -7.062 1.00 0.00 N ATOM 642 CA LEU A 42 -12.779 -1.192 -5.660 1.00 0.00 C ATOM 643 C LEU A 42 -13.631 -0.091 -5.044 1.00 0.00 C ATOM 644 O LEU A 42 -13.574 1.065 -5.466 1.00 0.00 O ATOM 645 CB LEU A 42 -11.477 -1.328 -4.875 1.00 0.00 C ATOM 646 CG LEU A 42 -10.516 -2.243 -5.638 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.239 -2.439 -4.818 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.178 -3.602 -5.888 1.00 0.00 C ATOM 0 H LEU A 42 -11.877 -0.077 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.327 -2.133 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.024 -0.348 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.678 -1.738 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.268 -1.784 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.554 -3.091 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.763 -1.473 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.488 -2.893 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.489 -4.248 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.432 -4.064 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.085 -3.462 -6.477 1.00 0.00 H new ATOM 660 N THR A 43 -14.429 -0.456 -4.044 1.00 0.00 N ATOM 661 CA THR A 43 -15.295 0.511 -3.381 1.00 0.00 C ATOM 662 C THR A 43 -14.537 1.241 -2.275 1.00 0.00 C ATOM 663 O THR A 43 -13.512 0.762 -1.792 1.00 0.00 O ATOM 664 CB THR A 43 -16.515 -0.206 -2.780 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.865 -1.309 -3.605 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.694 0.764 -2.692 1.00 0.00 C ATOM 0 H THR A 43 -14.493 -1.406 -3.678 1.00 0.00 H new ATOM 0 HA THR A 43 -15.627 1.240 -4.120 1.00 0.00 H new ATOM 0 HB THR A 43 -16.270 -0.561 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.642 -1.769 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.556 0.251 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.424 1.608 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.944 1.125 -3.690 1.00 0.00 H new ATOM 674 N ASP A 44 -15.052 2.396 -1.881 1.00 0.00 N ATOM 675 CA ASP A 44 -14.418 3.187 -0.832 1.00 0.00 C ATOM 676 C ASP A 44 -14.155 2.322 0.396 1.00 0.00 C ATOM 677 O ASP A 44 -13.094 2.410 1.013 1.00 0.00 O ATOM 678 CB ASP A 44 -15.315 4.364 -0.446 1.00 0.00 C ATOM 679 CG ASP A 44 -15.338 5.393 -1.571 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.509 5.288 -2.461 1.00 0.00 O ATOM 681 OD2 ASP A 44 -16.187 6.269 -1.528 1.00 0.00 O ATOM 0 H ASP A 44 -15.902 2.806 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.469 3.567 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.326 4.010 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.950 4.825 0.472 1.00 0.00 H new ATOM 686 N GLU A 45 -15.128 1.488 0.746 1.00 0.00 N ATOM 687 CA GLU A 45 -14.989 0.615 1.906 1.00 0.00 C ATOM 688 C GLU A 45 -13.631 -0.075 1.895 1.00 0.00 C ATOM 689 O GLU A 45 -12.910 -0.046 2.888 1.00 0.00 O ATOM 690 CB GLU A 45 -16.096 -0.443 1.897 1.00 0.00 C ATOM 691 CG GLU A 45 -16.109 -1.187 3.235 1.00 0.00 C ATOM 692 CD GLU A 45 -16.618 -0.262 4.335 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.249 0.729 4.005 1.00 0.00 O ATOM 694 OE2 GLU A 45 -16.369 -0.558 5.491 1.00 0.00 O ATOM 0 H GLU A 45 -16.014 1.398 0.248 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.071 1.223 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.063 0.030 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.934 -1.146 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.746 -2.069 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.105 -1.537 3.477 1.00 0.00 H new ATOM 701 N GLU A 46 -13.289 -0.690 0.765 1.00 0.00 N ATOM 702 CA GLU A 46 -12.013 -1.386 0.639 1.00 0.00 C ATOM 703 C GLU A 46 -10.847 -0.435 0.924 1.00 0.00 C ATOM 704 O GLU A 46 -9.867 -0.789 1.592 1.00 0.00 O ATOM 705 CB GLU A 46 -11.866 -1.967 -0.765 1.00 0.00 C ATOM 706 CG GLU A 46 -12.903 -3.074 -0.971 1.00 0.00 C ATOM 707 CD GLU A 46 -12.596 -3.841 -2.252 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.465 -3.766 -2.702 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.487 -4.512 -2.745 1.00 0.00 O ATOM 0 H GLU A 46 -13.874 -0.720 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.994 -2.195 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.002 -1.183 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.861 -2.366 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.896 -3.754 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.902 -2.642 -1.026 1.00 0.00 H new ATOM 716 N VAL A 47 -10.958 0.780 0.413 1.00 0.00 N ATOM 717 CA VAL A 47 -9.919 1.779 0.621 1.00 0.00 C ATOM 718 C VAL A 47 -9.863 2.205 2.087 1.00 0.00 C ATOM 719 O VAL A 47 -8.780 2.409 2.651 1.00 0.00 O ATOM 720 CB VAL A 47 -10.179 3.000 -0.264 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.181 4.106 0.076 1.00 0.00 C ATOM 722 CG2 VAL A 47 -10.017 2.608 -1.732 1.00 0.00 C ATOM 0 H VAL A 47 -11.750 1.098 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.960 1.336 0.351 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.193 3.361 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.370 4.973 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.294 4.389 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.167 3.746 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.202 3.477 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.003 2.245 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.730 1.822 -1.979 1.00 0.00 H new ATOM 732 N GLU A 48 -11.036 2.381 2.694 1.00 0.00 N ATOM 733 CA GLU A 48 -11.103 2.823 4.071 1.00 0.00 C ATOM 734 C GLU A 48 -10.498 1.787 5.014 1.00 0.00 C ATOM 735 O GLU A 48 -9.649 2.113 5.848 1.00 0.00 O ATOM 736 CB GLU A 48 -12.572 3.073 4.458 1.00 0.00 C ATOM 737 CG GLU A 48 -12.637 4.096 5.590 1.00 0.00 C ATOM 738 CD GLU A 48 -12.419 5.504 5.044 1.00 0.00 C ATOM 739 OE1 GLU A 48 -12.325 5.639 3.836 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.352 6.425 5.841 1.00 0.00 O ATOM 0 H GLU A 48 -11.942 2.224 2.252 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.529 3.745 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.129 3.436 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.040 2.140 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.605 4.037 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.879 3.868 6.340 1.00 0.00 H new ATOM 747 N GLN A 49 -10.949 0.544 4.880 1.00 0.00 N ATOM 748 CA GLN A 49 -10.455 -0.528 5.734 1.00 0.00 C ATOM 749 C GLN A 49 -8.949 -0.692 5.561 1.00 0.00 C ATOM 750 O GLN A 49 -8.236 -1.017 6.514 1.00 0.00 O ATOM 751 CB GLN A 49 -11.166 -1.841 5.400 1.00 0.00 C ATOM 752 CG GLN A 49 -10.850 -2.239 3.965 1.00 0.00 C ATOM 753 CD GLN A 49 -11.631 -3.486 3.576 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.906 -3.393 3.319 1.00 0.00 O flip ATOM 755 NE2 GLN A 49 -11.064 -4.576 3.508 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.648 0.257 4.195 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.663 -0.268 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.845 -2.625 6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.242 -1.727 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.100 -1.420 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.781 -2.424 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.067 -4.645 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.591 -5.410 3.250 1.00 0.00 H new ATOM 764 N MET A 50 -8.468 -0.456 4.343 1.00 0.00 N ATOM 765 CA MET A 50 -7.037 -0.567 4.071 1.00 0.00 C ATOM 766 C MET A 50 -6.254 0.479 4.862 1.00 0.00 C ATOM 767 O MET A 50 -5.196 0.183 5.435 1.00 0.00 O ATOM 768 CB MET A 50 -6.794 -0.369 2.571 1.00 0.00 C ATOM 769 CG MET A 50 -7.085 -1.679 1.819 1.00 0.00 C ATOM 770 SD MET A 50 -5.543 -2.584 1.603 1.00 0.00 S ATOM 771 CE MET A 50 -4.896 -1.638 0.206 1.00 0.00 C ATOM 0 H MET A 50 -9.038 -0.191 3.540 1.00 0.00 H new ATOM 0 HA MET A 50 -6.694 -1.556 4.376 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.433 0.428 2.192 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.763 -0.061 2.398 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.801 -2.283 2.377 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.535 -1.465 0.850 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.139 -2.226 -0.312 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.708 -1.404 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.450 -0.712 0.569 1.00 0.00 H new ATOM 781 N ILE A 51 -6.783 1.701 4.891 1.00 0.00 N ATOM 782 CA ILE A 51 -6.131 2.780 5.617 1.00 0.00 C ATOM 783 C ILE A 51 -6.105 2.476 7.108 1.00 0.00 C ATOM 784 O ILE A 51 -5.112 2.721 7.774 1.00 0.00 O ATOM 785 CB ILE A 51 -6.853 4.104 5.365 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.644 4.523 3.908 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.290 5.185 6.296 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.553 5.705 3.584 1.00 0.00 C ATOM 0 H ILE A 51 -7.651 1.963 4.425 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.105 2.866 5.258 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.918 3.981 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.602 4.796 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.864 3.688 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.807 6.127 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.438 4.885 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.225 5.312 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.405 6.004 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.593 5.416 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.311 6.541 4.241 1.00 0.00 H new ATOM 800 N LYS A 52 -7.215 1.966 7.627 1.00 0.00 N ATOM 801 CA LYS A 52 -7.303 1.657 9.050 1.00 0.00 C ATOM 802 C LYS A 52 -6.230 0.651 9.443 1.00 0.00 C ATOM 803 O LYS A 52 -5.530 0.833 10.441 1.00 0.00 O ATOM 804 CB LYS A 52 -8.683 1.070 9.365 1.00 0.00 C ATOM 805 CG LYS A 52 -9.744 2.150 9.197 1.00 0.00 C ATOM 806 CD LYS A 52 -11.116 1.592 9.589 1.00 0.00 C ATOM 807 CE LYS A 52 -12.182 2.677 9.423 1.00 0.00 C ATOM 808 NZ LYS A 52 -11.815 3.864 10.247 1.00 0.00 N ATOM 0 H LYS A 52 -8.058 1.759 7.092 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.153 2.577 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.894 0.232 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.701 0.682 10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.501 3.012 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.763 2.497 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.360 0.731 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.096 1.244 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.267 2.961 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.156 2.295 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.660 4.447 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.429 3.547 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.099 4.427 9.745 1.00 0.00 H new ATOM 822 N GLU A 53 -6.102 -0.410 8.653 1.00 0.00 N ATOM 823 CA GLU A 53 -5.102 -1.437 8.938 1.00 0.00 C ATOM 824 C GLU A 53 -3.705 -0.829 8.987 1.00 0.00 C ATOM 825 O GLU A 53 -2.951 -1.051 9.937 1.00 0.00 O ATOM 826 CB GLU A 53 -5.148 -2.520 7.859 1.00 0.00 C ATOM 827 CG GLU A 53 -6.473 -3.277 7.950 1.00 0.00 C ATOM 828 CD GLU A 53 -6.511 -4.109 9.227 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.449 -4.400 9.752 1.00 0.00 O ATOM 830 OE2 GLU A 53 -7.601 -4.443 9.660 1.00 0.00 O ATOM 0 H GLU A 53 -6.668 -0.582 7.822 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.328 -1.877 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.042 -2.069 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.314 -3.210 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.305 -2.573 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.592 -3.924 7.081 1.00 0.00 H new ATOM 837 N ALA A 54 -3.364 -0.059 7.958 1.00 0.00 N ATOM 838 CA ALA A 54 -2.052 0.579 7.903 1.00 0.00 C ATOM 839 C ALA A 54 -1.968 1.748 8.883 1.00 0.00 C ATOM 840 O ALA A 54 -0.961 1.929 9.565 1.00 0.00 O ATOM 841 CB ALA A 54 -1.779 1.081 6.481 1.00 0.00 C ATOM 0 H ALA A 54 -3.969 0.137 7.160 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.302 -0.160 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.799 1.556 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.800 0.240 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.544 1.804 6.197 1.00 0.00 H new ATOM 847 N ASP A 55 -3.032 2.533 8.941 1.00 0.00 N ATOM 848 CA ASP A 55 -3.077 3.689 9.826 1.00 0.00 C ATOM 849 C ASP A 55 -3.396 3.256 11.246 1.00 0.00 C ATOM 850 O ASP A 55 -4.435 2.650 11.505 1.00 0.00 O ATOM 851 CB ASP A 55 -4.140 4.681 9.348 1.00 0.00 C ATOM 852 CG ASP A 55 -3.994 6.001 10.093 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.256 6.029 11.059 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.611 6.967 9.679 1.00 0.00 O ATOM 0 H ASP A 55 -3.876 2.392 8.386 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.099 4.171 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.039 4.846 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.135 4.268 9.514 1.00 0.00 H new ATOM 859 N LEU A 56 -2.498 3.566 12.169 1.00 0.00 N ATOM 860 CA LEU A 56 -2.689 3.204 13.575 1.00 0.00 C ATOM 861 C LEU A 56 -3.025 4.438 14.401 1.00 0.00 C ATOM 862 O LEU A 56 -3.305 4.336 15.595 1.00 0.00 O ATOM 863 CB LEU A 56 -1.418 2.540 14.126 1.00 0.00 C ATOM 864 CG LEU A 56 -0.332 3.596 14.384 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.930 2.919 14.896 1.00 0.00 C ATOM 866 CD2 LEU A 56 -0.029 4.342 13.080 1.00 0.00 C ATOM 0 H LEU A 56 -1.630 4.066 11.976 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.519 2.500 13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.648 2.012 15.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.051 1.797 13.417 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.684 4.305 15.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.698 3.671 15.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.710 2.393 15.825 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.288 2.207 14.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.741 5.092 13.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.322 3.634 12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.935 4.831 12.722 1.00 0.00 H new ATOM 878 N ASP A 57 -2.970 5.610 13.766 1.00 0.00 N ATOM 879 CA ASP A 57 -3.257 6.866 14.461 1.00 0.00 C ATOM 880 C ASP A 57 -4.463 7.547 13.833 1.00 0.00 C ATOM 881 O ASP A 57 -4.857 8.635 14.245 1.00 0.00 O ATOM 882 CB ASP A 57 -2.043 7.794 14.398 1.00 0.00 C ATOM 883 CG ASP A 57 -1.681 8.093 12.950 1.00 0.00 C ATOM 884 OD1 ASP A 57 -1.574 7.159 12.179 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.513 9.253 12.636 1.00 0.00 O ATOM 0 H ASP A 57 -2.731 5.716 12.780 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.478 6.645 15.505 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.259 8.723 14.925 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.196 7.330 14.904 1.00 0.00 H new ATOM 890 N GLY A 58 -5.047 6.898 12.827 1.00 0.00 N ATOM 891 CA GLY A 58 -6.213 7.453 12.150 1.00 0.00 C ATOM 892 C GLY A 58 -6.026 8.934 11.855 1.00 0.00 C ATOM 893 O GLY A 58 -6.770 9.775 12.358 1.00 0.00 O ATOM 0 H GLY A 58 -4.734 5.996 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.387 6.913 11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.098 7.312 12.770 1.00 0.00 H new ATOM 897 N ASP A 59 -5.031 9.251 11.031 1.00 0.00 N ATOM 898 CA ASP A 59 -4.758 10.640 10.665 1.00 0.00 C ATOM 899 C ASP A 59 -5.363 10.961 9.304 1.00 0.00 C ATOM 900 O ASP A 59 -5.246 12.082 8.813 1.00 0.00 O ATOM 901 CB ASP A 59 -3.251 10.886 10.627 1.00 0.00 C ATOM 902 CG ASP A 59 -2.573 9.831 9.759 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.240 8.879 9.389 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.397 9.990 9.480 1.00 0.00 O ATOM 0 H ASP A 59 -4.403 8.570 10.605 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.210 11.289 11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.046 11.881 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.843 10.855 11.637 1.00 0.00 H new ATOM 909 N GLY A 60 -6.014 9.970 8.700 1.00 0.00 N ATOM 910 CA GLY A 60 -6.638 10.160 7.393 1.00 0.00 C ATOM 911 C GLY A 60 -5.661 9.834 6.273 1.00 0.00 C ATOM 912 O GLY A 60 -6.046 9.743 5.108 1.00 0.00 O ATOM 0 H GLY A 60 -6.123 9.034 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.519 9.523 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.980 11.190 7.295 1.00 0.00 H new ATOM 916 N GLN A 61 -4.392 9.662 6.628 1.00 0.00 N ATOM 917 CA GLN A 61 -3.361 9.348 5.640 1.00 0.00 C ATOM 918 C GLN A 61 -2.432 8.266 6.170 1.00 0.00 C ATOM 919 O GLN A 61 -2.416 7.978 7.369 1.00 0.00 O ATOM 920 CB GLN A 61 -2.553 10.604 5.313 1.00 0.00 C ATOM 921 CG GLN A 61 -1.832 11.094 6.572 1.00 0.00 C ATOM 922 CD GLN A 61 -1.112 12.407 6.282 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.649 13.270 5.588 1.00 0.00 O ATOM 924 NE2 GLN A 61 0.078 12.610 6.776 1.00 0.00 N ATOM 0 H GLN A 61 -4.052 9.734 7.587 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.846 8.985 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.829 10.388 4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.213 11.384 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.549 11.234 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.116 10.343 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.521 11.893 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.566 13.486 6.587 1.00 0.00 H new ATOM 933 N VAL A 62 -1.657 7.665 5.269 1.00 0.00 N ATOM 934 CA VAL A 62 -0.720 6.609 5.652 1.00 0.00 C ATOM 935 C VAL A 62 0.714 7.053 5.398 1.00 0.00 C ATOM 936 O VAL A 62 1.038 7.557 4.317 1.00 0.00 O ATOM 937 CB VAL A 62 -1.018 5.337 4.855 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.404 4.132 5.563 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.530 5.148 4.739 1.00 0.00 C ATOM 0 H VAL A 62 -1.658 7.889 4.274 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.839 6.405 6.716 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.587 5.427 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.618 3.228 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.675 4.266 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.830 4.041 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.741 4.242 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.963 5.061 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.966 6.006 4.228 1.00 0.00 H new ATOM 949 N ASN A 63 1.569 6.867 6.404 1.00 0.00 N ATOM 950 CA ASN A 63 2.974 7.249 6.285 1.00 0.00 C ATOM 951 C ASN A 63 3.801 6.081 5.763 1.00 0.00 C ATOM 952 O ASN A 63 3.392 4.924 5.853 1.00 0.00 O ATOM 953 CB ASN A 63 3.507 7.702 7.644 1.00 0.00 C ATOM 954 CG ASN A 63 3.198 6.652 8.699 1.00 0.00 C ATOM 955 OD1 ASN A 63 3.759 5.567 8.664 1.00 0.00 O ATOM 956 ND2 ASN A 63 2.333 6.914 9.640 1.00 0.00 N ATOM 0 H ASN A 63 1.315 6.457 7.303 1.00 0.00 H new ATOM 0 HA ASN A 63 3.053 8.074 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.583 7.865 7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.055 8.654 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.123 6.212 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.867 7.821 9.666 1.00 0.00 H new ATOM 963 N TYR A 64 4.966 6.392 5.211 1.00 0.00 N ATOM 964 CA TYR A 64 5.842 5.365 4.666 1.00 0.00 C ATOM 965 C TYR A 64 6.094 4.267 5.693 1.00 0.00 C ATOM 966 O TYR A 64 6.177 3.090 5.348 1.00 0.00 O ATOM 967 CB TYR A 64 7.180 5.982 4.245 1.00 0.00 C ATOM 968 CG TYR A 64 8.095 4.898 3.721 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.809 4.274 2.500 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.229 4.516 4.448 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.653 3.271 2.010 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.073 3.516 3.960 1.00 0.00 C ATOM 973 CZ TYR A 64 9.785 2.892 2.741 1.00 0.00 C ATOM 974 OH TYR A 64 10.618 1.903 2.259 1.00 0.00 O ATOM 0 H TYR A 64 5.325 7.343 5.129 1.00 0.00 H new ATOM 0 HA TYR A 64 5.351 4.929 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.018 6.738 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.644 6.485 5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.936 4.567 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.452 4.996 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.431 2.790 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.947 3.224 4.523 1.00 0.00 H new ATOM 0 HH TYR A 64 11.357 1.763 2.887 1.00 0.00 H new ATOM 984 N GLU A 65 6.227 4.660 6.953 1.00 0.00 N ATOM 985 CA GLU A 65 6.486 3.699 8.020 1.00 0.00 C ATOM 986 C GLU A 65 5.343 2.691 8.135 1.00 0.00 C ATOM 987 O GLU A 65 5.573 1.482 8.225 1.00 0.00 O ATOM 988 CB GLU A 65 6.655 4.435 9.352 1.00 0.00 C ATOM 989 CG GLU A 65 7.637 5.593 9.175 1.00 0.00 C ATOM 990 CD GLU A 65 9.008 5.061 8.774 1.00 0.00 C ATOM 991 OE1 GLU A 65 9.497 4.171 9.450 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.550 5.552 7.798 1.00 0.00 O ATOM 0 H GLU A 65 6.161 5.630 7.261 1.00 0.00 H new ATOM 0 HA GLU A 65 7.402 3.160 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.692 4.811 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.020 3.748 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.268 6.280 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.715 6.159 10.103 1.00 0.00 H new ATOM 999 N GLU A 66 4.116 3.194 8.125 1.00 0.00 N ATOM 1000 CA GLU A 66 2.945 2.330 8.224 1.00 0.00 C ATOM 1001 C GLU A 66 2.878 1.391 7.023 1.00 0.00 C ATOM 1002 O GLU A 66 2.449 0.244 7.138 1.00 0.00 O ATOM 1003 CB GLU A 66 1.673 3.182 8.293 1.00 0.00 C ATOM 1004 CG GLU A 66 1.520 3.771 9.697 1.00 0.00 C ATOM 1005 CD GLU A 66 0.409 4.815 9.706 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.231 4.979 8.684 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.223 5.442 10.734 1.00 0.00 O ATOM 0 H GLU A 66 3.905 4.189 8.050 1.00 0.00 H new ATOM 0 HA GLU A 66 3.025 1.732 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.720 3.983 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.803 2.574 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.292 2.979 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.459 4.224 10.014 1.00 0.00 H new ATOM 1014 N PHE A 67 3.303 1.880 5.871 1.00 0.00 N ATOM 1015 CA PHE A 67 3.291 1.066 4.661 1.00 0.00 C ATOM 1016 C PHE A 67 4.295 -0.077 4.779 1.00 0.00 C ATOM 1017 O PHE A 67 3.991 -1.224 4.451 1.00 0.00 O ATOM 1018 CB PHE A 67 3.635 1.931 3.448 1.00 0.00 C ATOM 1019 CG PHE A 67 3.596 1.082 2.197 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.372 0.599 1.718 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.783 0.776 1.519 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.335 -0.187 0.560 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.744 -0.009 0.361 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.520 -0.491 -0.119 1.00 0.00 C ATOM 0 H PHE A 67 3.658 2.828 5.745 1.00 0.00 H new ATOM 0 HA PHE A 67 2.293 0.646 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.927 2.755 3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.624 2.372 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.457 0.833 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.728 1.146 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.391 -0.559 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.659 -0.243 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.491 -1.097 -1.013 1.00 0.00 H new ATOM 1034 N VAL A 68 5.504 0.249 5.233 1.00 0.00 N ATOM 1035 CA VAL A 68 6.550 -0.760 5.369 1.00 0.00 C ATOM 1036 C VAL A 68 6.109 -1.868 6.318 1.00 0.00 C ATOM 1037 O VAL A 68 6.223 -3.062 6.002 1.00 0.00 O ATOM 1038 CB VAL A 68 7.829 -0.107 5.911 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.870 -1.187 6.213 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.391 0.864 4.869 1.00 0.00 C ATOM 0 H VAL A 68 5.780 1.191 5.509 1.00 0.00 H new ATOM 0 HA VAL A 68 6.742 -1.193 4.387 1.00 0.00 H new ATOM 0 HB VAL A 68 7.595 0.437 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.777 -0.721 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.473 -1.877 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.103 -1.734 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.299 1.327 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.622 0.321 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.652 1.637 4.656 1.00 0.00 H new ATOM 1050 N LYS A 69 5.597 -1.478 7.480 1.00 0.00 N ATOM 1051 CA LYS A 69 5.148 -2.457 8.457 1.00 0.00 C ATOM 1052 C LYS A 69 4.077 -3.356 7.840 1.00 0.00 C ATOM 1053 O LYS A 69 4.049 -4.563 8.078 1.00 0.00 O ATOM 1054 CB LYS A 69 4.605 -1.731 9.712 1.00 0.00 C ATOM 1055 CG LYS A 69 3.071 -1.690 9.693 1.00 0.00 C ATOM 1056 CD LYS A 69 2.553 -0.904 10.872 1.00 0.00 C ATOM 1057 CE LYS A 69 1.025 -0.892 10.827 1.00 0.00 C ATOM 1058 NZ LYS A 69 0.509 -0.142 12.004 1.00 0.00 N ATOM 0 H LYS A 69 5.484 -0.505 7.764 1.00 0.00 H new ATOM 0 HA LYS A 69 5.988 -3.084 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.949 -2.242 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.001 -0.716 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.724 -1.237 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.673 -2.704 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.899 -1.351 11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.939 0.115 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.680 -0.427 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.641 -1.912 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.531 -0.130 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.829 -0.605 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.867 0.834 11.978 1.00 0.00 H new ATOM 1072 N MET A 70 3.163 -2.741 7.093 1.00 0.00 N ATOM 1073 CA MET A 70 2.076 -3.485 6.482 1.00 0.00 C ATOM 1074 C MET A 70 2.630 -4.476 5.478 1.00 0.00 C ATOM 1075 O MET A 70 2.165 -5.605 5.390 1.00 0.00 O ATOM 1076 CB MET A 70 1.112 -2.518 5.779 1.00 0.00 C ATOM 1077 CG MET A 70 0.178 -1.864 6.800 1.00 0.00 C ATOM 1078 SD MET A 70 -0.869 -3.124 7.583 1.00 0.00 S ATOM 1079 CE MET A 70 -1.767 -3.628 6.097 1.00 0.00 C ATOM 0 H MET A 70 3.157 -1.739 6.900 1.00 0.00 H new ATOM 0 HA MET A 70 1.536 -4.027 7.258 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.677 -1.751 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.527 -3.055 5.033 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.763 -1.343 7.558 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.445 -1.116 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.825 -3.742 6.333 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.647 -2.868 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.371 -4.577 5.737 1.00 0.00 H new ATOM 1089 N MET A 71 3.631 -4.046 4.726 1.00 0.00 N ATOM 1090 CA MET A 71 4.244 -4.909 3.723 1.00 0.00 C ATOM 1091 C MET A 71 4.827 -6.153 4.377 1.00 0.00 C ATOM 1092 O MET A 71 4.789 -7.243 3.802 1.00 0.00 O ATOM 1093 CB MET A 71 5.357 -4.146 2.987 1.00 0.00 C ATOM 1094 CG MET A 71 4.743 -3.244 1.916 1.00 0.00 C ATOM 1095 SD MET A 71 4.239 -4.258 0.499 1.00 0.00 S ATOM 1096 CE MET A 71 2.476 -3.849 0.530 1.00 0.00 C ATOM 0 H MET A 71 4.035 -3.112 4.788 1.00 0.00 H new ATOM 0 HA MET A 71 3.477 -5.211 3.010 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.930 -3.548 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.052 -4.850 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.883 -2.711 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.465 -2.490 1.601 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.892 -4.740 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.205 -3.481 1.520 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.268 -3.079 -0.213 1.00 0.00 H new ATOM 1106 N MET A 72 5.365 -5.988 5.581 1.00 0.00 N ATOM 1107 CA MET A 72 5.948 -7.118 6.298 1.00 0.00 C ATOM 1108 C MET A 72 4.857 -7.994 6.913 1.00 0.00 C ATOM 1109 O MET A 72 4.831 -9.207 6.705 1.00 0.00 O ATOM 1110 CB MET A 72 6.877 -6.601 7.403 1.00 0.00 C ATOM 1111 CG MET A 72 8.236 -6.239 6.803 1.00 0.00 C ATOM 1112 SD MET A 72 7.996 -5.090 5.425 1.00 0.00 S ATOM 1113 CE MET A 72 9.744 -4.858 5.019 1.00 0.00 C ATOM 0 H MET A 72 5.410 -5.097 6.076 1.00 0.00 H new ATOM 0 HA MET A 72 6.517 -7.721 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.436 -5.728 7.884 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.000 -7.361 8.174 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.872 -5.785 7.563 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.745 -7.139 6.457 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.834 -4.171 4.178 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.266 -4.446 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.186 -5.818 4.752 1.00 0.00 H new ATOM 1123 N THR A 73 3.965 -7.371 7.680 1.00 0.00 N ATOM 1124 CA THR A 73 2.888 -8.105 8.328 1.00 0.00 C ATOM 1125 C THR A 73 2.179 -9.012 7.331 1.00 0.00 C ATOM 1126 O THR A 73 1.691 -10.083 7.690 1.00 0.00 O ATOM 1127 CB THR A 73 1.879 -7.124 8.929 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.513 -6.350 9.938 1.00 0.00 O ATOM 1129 CG2 THR A 73 0.709 -7.901 9.537 1.00 0.00 C ATOM 0 H THR A 73 3.968 -6.368 7.865 1.00 0.00 H new ATOM 0 HA THR A 73 3.318 -8.720 9.119 1.00 0.00 H new ATOM 0 HB THR A 73 1.506 -6.463 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.089 -5.677 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.009 -7.201 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.222 -8.492 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.080 -8.564 10.319 1.00 0.00 H new ATOM 1137 N VAL A 74 2.129 -8.580 6.078 1.00 0.00 N ATOM 1138 CA VAL A 74 1.467 -9.363 5.044 1.00 0.00 C ATOM 1139 C VAL A 74 2.080 -10.752 4.952 1.00 0.00 C ATOM 1140 O VAL A 74 1.364 -11.747 4.870 1.00 0.00 O ATOM 1141 CB VAL A 74 1.598 -8.649 3.690 1.00 0.00 C ATOM 1142 CG1 VAL A 74 1.244 -9.618 2.553 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.640 -7.443 3.649 1.00 0.00 C ATOM 0 H VAL A 74 2.534 -7.701 5.755 1.00 0.00 H new ATOM 0 HA VAL A 74 0.413 -9.463 5.303 1.00 0.00 H new ATOM 0 HB VAL A 74 2.625 -8.306 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.339 -9.106 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.923 -10.471 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.219 -9.967 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.733 -6.937 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.386 -7.788 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.894 -6.749 4.451 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.574 -7.315 6.227 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.322 -6.523 5.244 1.00 0.00 C ATOM 1207 C GLY A 80 -6.553 -7.324 3.963 1.00 0.00 C ATOM 1208 O GLY A 80 -5.712 -8.131 3.564 1.00 0.00 O ATOM 0 HA2 GLY A 80 -7.280 -6.221 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.774 -5.610 5.013 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.691 -7.106 3.332 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.030 -7.826 2.106 1.00 0.00 C ATOM 1214 C ASN A 81 -7.565 -7.048 0.879 1.00 0.00 C ATOM 1215 O ASN A 81 -7.298 -7.629 -0.181 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.540 -8.053 2.037 1.00 0.00 C ATOM 1217 CG ASN A 81 -9.885 -8.881 0.805 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.000 -9.469 0.184 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.127 -8.965 0.413 1.00 0.00 N ATOM 0 H ASN A 81 -8.398 -6.440 3.642 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.521 -8.790 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.881 -8.565 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.059 -7.095 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.366 -9.519 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.859 -8.477 0.929 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.464 -5.731 1.028 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.035 -4.885 -0.077 1.00 0.00 C ATOM 1228 C GLY A 82 -5.525 -4.973 -0.288 1.00 0.00 C ATOM 1229 O GLY A 82 -5.045 -4.980 -1.425 1.00 0.00 O ATOM 0 H GLY A 82 -7.671 -5.232 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.550 -5.185 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.317 -3.851 0.123 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.780 -5.034 0.813 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.332 -5.114 0.736 1.00 0.00 C ATOM 1235 C TRP A 83 -2.908 -6.445 0.128 1.00 0.00 C ATOM 1236 O TRP A 83 -2.067 -6.494 -0.768 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.722 -4.964 2.133 1.00 0.00 C ATOM 1238 CG TRP A 83 -2.985 -3.590 2.655 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.721 -3.307 3.754 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.540 -2.312 2.118 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.755 -1.935 3.928 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.042 -1.278 2.946 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.759 -1.949 1.005 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.775 0.066 2.678 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.491 -0.600 0.735 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.998 0.406 1.569 1.00 0.00 C ATOM 0 H TRP A 83 -5.156 -5.029 1.761 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.972 -4.305 0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.148 -5.707 2.807 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.648 -5.148 2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.203 -4.033 4.391 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.247 -1.466 4.689 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.363 -2.715 0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.167 0.837 3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.890 -0.334 -0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.788 1.443 1.354 1.00 0.00 H new ATOM 1257 N SER A 84 -3.501 -7.528 0.626 1.00 0.00 N ATOM 1258 CA SER A 84 -3.182 -8.861 0.124 1.00 0.00 C ATOM 1259 C SER A 84 -3.580 -8.982 -1.342 1.00 0.00 C ATOM 1260 O SER A 84 -2.904 -9.653 -2.124 1.00 0.00 O ATOM 1261 CB SER A 84 -3.918 -9.919 0.944 1.00 0.00 C ATOM 1262 OG SER A 84 -5.318 -9.689 0.857 1.00 0.00 O ATOM 0 H SER A 84 -4.199 -7.509 1.370 1.00 0.00 H new ATOM 0 HA SER A 84 -2.107 -9.019 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.678 -10.915 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.595 -9.879 1.984 1.00 0.00 H new ATOM 0 HG SER A 84 -5.794 -10.367 1.381 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.678 -8.324 -1.713 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.134 -8.359 -3.098 1.00 0.00 C ATOM 1270 C ARG A 85 -4.146 -7.655 -4.018 1.00 0.00 C ATOM 1271 O ARG A 85 -3.855 -8.136 -5.113 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.512 -7.694 -3.199 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.590 -8.641 -2.644 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.096 -9.554 -3.764 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.131 -10.442 -3.262 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.768 -11.278 -4.072 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.468 -11.311 -5.342 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.693 -12.067 -3.599 1.00 0.00 N ATOM 0 H ARG A 85 -5.259 -7.769 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.205 -9.400 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.516 -6.757 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.732 -7.447 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.179 -9.239 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.417 -8.064 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.490 -8.952 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.269 -10.139 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.372 -10.422 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.744 -10.694 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.957 -11.953 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.927 -12.041 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.183 -12.710 -4.222 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.639 -6.519 -3.565 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.679 -5.757 -4.348 1.00 0.00 C ATOM 1294 C LEU A 86 -1.348 -6.497 -4.410 1.00 0.00 C ATOM 1295 O LEU A 86 -0.622 -6.415 -5.402 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.484 -4.367 -3.739 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.564 -3.535 -4.640 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.258 -3.247 -5.983 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.224 -2.220 -3.940 1.00 0.00 C ATOM 0 H LEU A 86 -3.875 -6.106 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.064 -5.643 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.447 -3.869 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.052 -4.453 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.648 -4.094 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.596 -2.655 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.491 -4.188 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.180 -2.693 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.570 -1.626 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.141 -1.665 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.718 -2.430 -2.998 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.026 -7.202 -3.336 1.00 0.00 N ATOM 1312 CA ARG A 87 0.224 -7.947 -3.277 1.00 0.00 C ATOM 1313 C ARG A 87 0.176 -9.125 -4.233 1.00 0.00 C ATOM 1314 O ARG A 87 0.918 -9.161 -5.217 1.00 0.00 O ATOM 1315 CB ARG A 87 0.474 -8.435 -1.829 1.00 0.00 C ATOM 1316 CG ARG A 87 1.832 -7.925 -1.336 1.00 0.00 C ATOM 1317 CD ARG A 87 2.955 -8.647 -2.105 1.00 0.00 C ATOM 1318 NE ARG A 87 4.051 -7.721 -2.360 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.995 -7.505 -1.452 1.00 0.00 C ATOM 1320 NH1 ARG A 87 4.946 -8.123 -0.305 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.972 -6.677 -1.710 1.00 0.00 N ATOM 0 H ARG A 87 -1.606 -7.274 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 87 1.044 -7.294 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.319 -8.077 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.450 -9.524 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.906 -6.848 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.934 -8.104 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.314 -9.500 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.570 -9.038 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 87 4.094 -7.230 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.183 -8.771 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.670 -7.959 0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.009 -6.197 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.697 -6.511 -1.012 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.686 -10.095 -3.923 1.00 0.00 N ATOM 1336 CA ARG A 88 -0.807 -11.289 -4.757 1.00 0.00 C ATOM 1337 C ARG A 88 -0.694 -10.908 -6.226 1.00 0.00 C ATOM 1338 O ARG A 88 -0.180 -11.673 -7.039 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.152 -11.962 -4.498 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.145 -12.598 -3.106 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.465 -13.336 -2.880 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.572 -12.391 -2.818 1.00 0.00 N ATOM 1343 CZ ARG A 88 -5.823 -12.808 -2.661 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -6.079 -14.084 -2.559 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.799 -11.942 -2.612 1.00 0.00 N ATOM 0 H ARG A 88 -1.303 -10.078 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.004 -11.983 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.957 -11.230 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.342 -12.722 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.308 -13.290 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.009 -11.831 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.633 -14.050 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.415 -13.908 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.383 -11.392 -2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.318 -14.762 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.040 -14.403 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.601 -10.945 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.760 -12.263 -2.491 1.00 0.00 H new