USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 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 29 SER OG : rot 180:sc= -0.0255 USER MOD Set 1.2: A 33 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-5.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.86 (180deg=-1.18) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 23 ASN : amide:sc= -4.05! C(o=-4.1!,f=-19!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 35 MET CE :methyl 167:sc= -0.0788 (180deg=-0.37) USER MOD Single : A 37 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.026) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 49 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.37) USER MOD Single : A 50 MET CE :methyl 159:sc= -0.3 (180deg=-1.55) USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= -1.15 (180deg=-3.2!) USER MOD Single : A 61 GLN : amide:sc= -0.0393 K(o=-0.039,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -1.33 (180deg=-2.37!) USER MOD Single : A 70 MET CE :methyl -140:sc= -0.434 (180deg=-1.76!) USER MOD Single : A 71 MET CE :methyl -156:sc= -1.05 (180deg=-3.24!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 77:sc= 0.191 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 84 SER OG : rot -97:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.632 -2.249 -2.868 1.00 0.00 N ATOM 108 CA GLU A 9 13.553 -1.328 -3.997 1.00 0.00 C ATOM 109 C GLU A 9 12.119 -1.233 -4.508 1.00 0.00 C ATOM 110 O GLU A 9 11.635 -0.149 -4.826 1.00 0.00 O ATOM 111 CB GLU A 9 14.469 -1.809 -5.125 1.00 0.00 C ATOM 112 CG GLU A 9 14.478 -0.776 -6.255 1.00 0.00 C ATOM 113 CD GLU A 9 15.410 -1.230 -7.371 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.841 -2.371 -7.328 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.681 -0.431 -8.252 1.00 0.00 O ATOM 0 HA GLU A 9 13.874 -0.341 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.480 -1.958 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.124 -2.772 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.469 -0.643 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.802 0.192 -5.871 1.00 0.00 H new ATOM 122 N GLU A 10 11.446 -2.374 -4.586 1.00 0.00 N ATOM 123 CA GLU A 10 10.070 -2.406 -5.068 1.00 0.00 C ATOM 124 C GLU A 10 9.168 -1.575 -4.167 1.00 0.00 C ATOM 125 O GLU A 10 8.401 -0.742 -4.645 1.00 0.00 O ATOM 126 CB GLU A 10 9.560 -3.851 -5.097 1.00 0.00 C ATOM 127 CG GLU A 10 8.158 -3.890 -5.713 1.00 0.00 C ATOM 128 CD GLU A 10 7.630 -5.320 -5.727 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.107 -5.750 -4.710 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.761 -5.966 -6.753 1.00 0.00 O ATOM 0 H GLU A 10 11.826 -3.283 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 10 10.050 -1.988 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.240 -4.476 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.535 -4.259 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.484 -3.251 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.188 -3.495 -6.729 1.00 0.00 H new ATOM 137 N LEU A 11 9.267 -1.792 -2.862 1.00 0.00 N ATOM 138 CA LEU A 11 8.454 -1.051 -1.935 1.00 0.00 C ATOM 139 C LEU A 11 8.740 0.443 -2.058 1.00 0.00 C ATOM 140 O LEU A 11 7.823 1.263 -2.058 1.00 0.00 O ATOM 141 CB LEU A 11 8.763 -1.539 -0.485 1.00 0.00 C ATOM 142 CG LEU A 11 8.607 -0.391 0.526 1.00 0.00 C ATOM 143 CD1 LEU A 11 7.135 0.038 0.603 1.00 0.00 C ATOM 144 CD2 LEU A 11 9.094 -0.825 1.889 1.00 0.00 C ATOM 0 H LEU A 11 9.898 -2.470 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 11 7.401 -1.219 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.091 -2.355 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.778 -1.934 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 11 9.208 0.456 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.030 0.852 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.802 0.375 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.526 -0.808 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.978 -0.003 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.510 -1.680 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.146 -1.105 1.827 1.00 0.00 H new ATOM 156 N LYS A 12 10.023 0.795 -2.107 1.00 0.00 N ATOM 157 CA LYS A 12 10.401 2.193 -2.169 1.00 0.00 C ATOM 158 C LYS A 12 9.874 2.824 -3.449 1.00 0.00 C ATOM 159 O LYS A 12 9.275 3.907 -3.429 1.00 0.00 O ATOM 160 CB LYS A 12 11.921 2.308 -2.109 1.00 0.00 C ATOM 161 CG LYS A 12 12.320 3.785 -2.030 1.00 0.00 C ATOM 162 CD LYS A 12 13.813 3.904 -1.665 1.00 0.00 C ATOM 163 CE LYS A 12 13.977 3.851 -0.137 1.00 0.00 C ATOM 164 NZ LYS A 12 15.391 4.132 0.217 1.00 0.00 N ATOM 0 H LYS A 12 10.803 0.138 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 12 9.966 2.723 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.303 1.770 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.366 1.847 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.130 4.274 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.712 4.296 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.377 3.095 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.219 4.839 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.320 4.581 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.685 2.870 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.504 4.097 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.007 3.419 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.654 5.077 -0.128 1.00 0.00 H new ATOM 178 N GLU A 13 10.091 2.135 -4.565 1.00 0.00 N ATOM 179 CA GLU A 13 9.629 2.630 -5.854 1.00 0.00 C ATOM 180 C GLU A 13 8.108 2.768 -5.849 1.00 0.00 C ATOM 181 O GLU A 13 7.559 3.796 -6.263 1.00 0.00 O ATOM 182 CB GLU A 13 10.066 1.674 -6.969 1.00 0.00 C ATOM 183 CG GLU A 13 11.571 1.816 -7.208 1.00 0.00 C ATOM 184 CD GLU A 13 12.027 0.820 -8.270 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.175 0.143 -8.822 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.220 0.754 -8.520 1.00 0.00 O ATOM 0 H GLU A 13 10.580 1.240 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 13 10.070 3.610 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.827 0.646 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.520 1.895 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.803 2.832 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.113 1.643 -6.278 1.00 0.00 H new ATOM 193 N ALA A 14 7.430 1.733 -5.366 1.00 0.00 N ATOM 194 CA ALA A 14 5.974 1.752 -5.305 1.00 0.00 C ATOM 195 C ALA A 14 5.510 2.946 -4.476 1.00 0.00 C ATOM 196 O ALA A 14 4.596 3.669 -4.872 1.00 0.00 O ATOM 197 CB ALA A 14 5.458 0.455 -4.682 1.00 0.00 C ATOM 0 H ALA A 14 7.861 0.878 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 14 5.576 1.840 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.369 0.479 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.780 -0.393 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.857 0.352 -3.673 1.00 0.00 H new ATOM 203 N PHE A 15 6.149 3.151 -3.329 1.00 0.00 N ATOM 204 CA PHE A 15 5.783 4.260 -2.454 1.00 0.00 C ATOM 205 C PHE A 15 5.820 5.570 -3.236 1.00 0.00 C ATOM 206 O PHE A 15 4.906 6.390 -3.132 1.00 0.00 O ATOM 207 CB PHE A 15 6.762 4.335 -1.277 1.00 0.00 C ATOM 208 CG PHE A 15 6.520 5.608 -0.495 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.326 5.773 0.217 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.487 6.623 -0.486 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.097 6.953 0.938 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.258 7.799 0.234 1.00 0.00 C ATOM 213 CZ PHE A 15 6.066 7.964 0.946 1.00 0.00 C ATOM 0 H PHE A 15 6.915 2.571 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 15 4.774 4.097 -2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.634 3.468 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.789 4.311 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.581 4.991 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.408 6.496 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.175 7.082 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.003 8.581 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.892 8.873 1.503 1.00 0.00 H new ATOM 223 N LYS A 16 6.876 5.760 -4.016 1.00 0.00 N ATOM 224 CA LYS A 16 7.008 6.975 -4.810 1.00 0.00 C ATOM 225 C LYS A 16 5.863 7.083 -5.813 1.00 0.00 C ATOM 226 O LYS A 16 5.391 8.181 -6.116 1.00 0.00 O ATOM 227 CB LYS A 16 8.337 6.965 -5.553 1.00 0.00 C ATOM 228 CG LYS A 16 8.531 8.301 -6.272 1.00 0.00 C ATOM 229 CD LYS A 16 9.927 8.330 -6.945 1.00 0.00 C ATOM 230 CE LYS A 16 10.916 9.080 -6.049 1.00 0.00 C ATOM 231 NZ LYS A 16 10.946 8.435 -4.703 1.00 0.00 N ATOM 0 H LYS A 16 7.645 5.098 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 16 6.972 7.834 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.155 6.794 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.357 6.147 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.752 8.439 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.441 9.124 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.278 7.313 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.862 8.816 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.911 9.066 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.622 10.126 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.721 8.840 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.042 8.603 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.096 7.412 -4.812 1.00 0.00 H new ATOM 245 N VAL A 17 5.417 5.936 -6.319 1.00 0.00 N ATOM 246 CA VAL A 17 4.311 5.912 -7.276 1.00 0.00 C ATOM 247 C VAL A 17 2.992 6.262 -6.587 1.00 0.00 C ATOM 248 O VAL A 17 2.187 7.032 -7.113 1.00 0.00 O ATOM 249 CB VAL A 17 4.211 4.537 -7.927 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.006 4.501 -8.866 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.489 4.265 -8.725 1.00 0.00 C ATOM 0 H VAL A 17 5.799 5.019 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 17 4.507 6.658 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 17 4.090 3.775 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.936 3.517 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.097 4.700 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.125 5.260 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.424 3.283 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.606 5.027 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.349 4.291 -8.055 1.00 0.00 H new ATOM 261 N PHE A 18 2.780 5.689 -5.405 1.00 0.00 N ATOM 262 CA PHE A 18 1.557 5.947 -4.651 1.00 0.00 C ATOM 263 C PHE A 18 1.461 7.423 -4.285 1.00 0.00 C ATOM 264 O PHE A 18 0.400 8.033 -4.416 1.00 0.00 O ATOM 265 CB PHE A 18 1.535 5.082 -3.372 1.00 0.00 C ATOM 266 CG PHE A 18 0.884 3.749 -3.659 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.510 3.661 -3.711 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.667 2.613 -3.882 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.125 2.436 -3.983 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.053 1.387 -4.153 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.342 1.299 -4.204 1.00 0.00 C ATOM 0 H PHE A 18 3.432 5.049 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 18 0.700 5.686 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.551 4.929 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.990 5.600 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.113 4.541 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.744 2.682 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.202 2.368 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.656 0.507 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.815 0.351 -4.414 1.00 0.00 H new ATOM 281 N ASP A 19 2.567 7.985 -3.819 1.00 0.00 N ATOM 282 CA ASP A 19 2.586 9.386 -3.428 1.00 0.00 C ATOM 283 C ASP A 19 2.608 10.280 -4.663 1.00 0.00 C ATOM 284 O ASP A 19 3.613 10.924 -4.957 1.00 0.00 O ATOM 285 CB ASP A 19 3.821 9.669 -2.567 1.00 0.00 C ATOM 286 CG ASP A 19 3.681 11.022 -1.882 1.00 0.00 C ATOM 287 OD1 ASP A 19 3.015 11.872 -2.438 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.250 11.190 -0.817 1.00 0.00 O ATOM 0 H ASP A 19 3.455 7.497 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 19 1.686 9.600 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.941 8.885 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.717 9.657 -3.187 1.00 0.00 H new ATOM 293 N LYS A 20 1.494 10.307 -5.389 1.00 0.00 N ATOM 294 CA LYS A 20 1.405 11.115 -6.600 1.00 0.00 C ATOM 295 C LYS A 20 1.663 12.578 -6.275 1.00 0.00 C ATOM 296 O LYS A 20 2.449 13.239 -6.952 1.00 0.00 O ATOM 297 CB LYS A 20 0.009 10.962 -7.209 1.00 0.00 C ATOM 298 CG LYS A 20 -0.251 9.493 -7.570 1.00 0.00 C ATOM 299 CD LYS A 20 0.610 9.080 -8.772 1.00 0.00 C ATOM 300 CE LYS A 20 0.071 7.785 -9.365 1.00 0.00 C ATOM 301 NZ LYS A 20 0.877 7.425 -10.564 1.00 0.00 N ATOM 0 H LYS A 20 0.648 9.784 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 20 2.156 10.775 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.745 11.310 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.078 11.584 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.024 8.856 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.306 9.350 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.603 9.868 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.646 8.946 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.118 6.985 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.977 7.905 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.514 6.541 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.810 8.187 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.871 7.296 -10.288 1.00 0.00 H new ATOM 315 N ASP A 21 1.009 13.073 -5.237 1.00 0.00 N ATOM 316 CA ASP A 21 1.186 14.463 -4.828 1.00 0.00 C ATOM 317 C ASP A 21 2.623 14.702 -4.380 1.00 0.00 C ATOM 318 O ASP A 21 3.104 15.835 -4.379 1.00 0.00 O ATOM 319 CB ASP A 21 0.217 14.796 -3.683 1.00 0.00 C ATOM 320 CG ASP A 21 0.129 13.618 -2.717 1.00 0.00 C ATOM 321 OD1 ASP A 21 -0.089 12.515 -3.184 1.00 0.00 O ATOM 322 OD2 ASP A 21 0.279 13.833 -1.527 1.00 0.00 O ATOM 0 H ASP A 21 0.355 12.540 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 21 0.972 15.111 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.558 15.686 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.771 15.022 -4.085 1.00 0.00 H new ATOM 327 N GLN A 22 3.300 13.628 -3.999 1.00 0.00 N ATOM 328 CA GLN A 22 4.681 13.726 -3.548 1.00 0.00 C ATOM 329 C GLN A 22 4.779 14.623 -2.319 1.00 0.00 C ATOM 330 O GLN A 22 5.662 15.475 -2.227 1.00 0.00 O ATOM 331 CB GLN A 22 5.558 14.288 -4.672 1.00 0.00 C ATOM 332 CG GLN A 22 7.031 13.981 -4.387 1.00 0.00 C ATOM 333 CD GLN A 22 7.905 14.526 -5.507 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.707 15.654 -5.956 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.866 13.786 -5.988 1.00 0.00 N ATOM 0 H GLN A 22 2.918 12.682 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 22 5.031 12.729 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.265 13.851 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.412 15.365 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.326 14.425 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.175 12.905 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.027 12.851 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.457 14.142 -6.739 1.00 0.00 H new ATOM 344 N ASN A 23 3.867 14.434 -1.367 1.00 0.00 N ATOM 345 CA ASN A 23 3.878 15.244 -0.149 1.00 0.00 C ATOM 346 C ASN A 23 4.492 14.454 0.997 1.00 0.00 C ATOM 347 O ASN A 23 5.236 15.006 1.804 1.00 0.00 O ATOM 348 CB ASN A 23 2.447 15.646 0.214 1.00 0.00 C ATOM 349 CG ASN A 23 1.643 14.417 0.627 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.948 13.306 0.205 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.633 14.555 1.438 1.00 0.00 N ATOM 0 H ASN A 23 3.122 13.739 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 23 4.474 16.140 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.461 16.371 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.971 16.132 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.093 13.738 1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.382 15.480 1.787 1.00 0.00 H new ATOM 358 N GLY A 24 4.185 13.157 1.062 1.00 0.00 N ATOM 359 CA GLY A 24 4.711 12.294 2.124 1.00 0.00 C ATOM 360 C GLY A 24 3.587 11.643 2.919 1.00 0.00 C ATOM 361 O GLY A 24 3.799 11.178 4.038 1.00 0.00 O ATOM 0 H GLY A 24 3.577 12.682 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.344 11.522 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.340 12.881 2.794 1.00 0.00 H new ATOM 365 N TYR A 25 2.389 11.612 2.342 1.00 0.00 N ATOM 366 CA TYR A 25 1.239 11.008 3.013 1.00 0.00 C ATOM 367 C TYR A 25 0.253 10.457 1.990 1.00 0.00 C ATOM 368 O TYR A 25 -0.271 11.199 1.161 1.00 0.00 O ATOM 369 CB TYR A 25 0.543 12.049 3.891 1.00 0.00 C ATOM 370 CG TYR A 25 1.451 12.426 5.037 1.00 0.00 C ATOM 371 CD1 TYR A 25 1.433 11.671 6.215 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.307 13.526 4.924 1.00 0.00 C ATOM 373 CE1 TYR A 25 2.272 12.017 7.282 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.146 13.873 5.990 1.00 0.00 C ATOM 375 CZ TYR A 25 3.129 13.118 7.169 1.00 0.00 C ATOM 376 OH TYR A 25 3.957 13.460 8.219 1.00 0.00 O ATOM 0 H TYR A 25 2.189 11.995 1.418 1.00 0.00 H new ATOM 0 HA TYR A 25 1.593 10.187 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.297 12.932 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.396 11.649 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.772 10.821 6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.321 14.108 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.258 11.435 8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.806 14.723 5.903 1.00 0.00 H new ATOM 0 HH TYR A 25 4.487 14.247 7.975 1.00 0.00 H new ATOM 386 N ILE A 26 -0.006 9.155 2.067 1.00 0.00 N ATOM 387 CA ILE A 26 -0.942 8.515 1.146 1.00 0.00 C ATOM 388 C ILE A 26 -2.371 8.688 1.643 1.00 0.00 C ATOM 389 O ILE A 26 -2.639 8.582 2.846 1.00 0.00 O ATOM 390 CB ILE A 26 -0.616 7.033 1.006 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.746 6.871 0.330 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.691 6.339 0.167 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.210 5.419 0.466 1.00 0.00 C ATOM 0 H ILE A 26 0.415 8.526 2.751 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.847 8.990 0.170 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.588 6.578 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.677 7.145 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.474 7.541 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.451 5.280 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.660 6.449 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.729 6.793 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.181 5.301 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.294 5.161 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.486 4.759 -0.012 1.00 0.00 H new ATOM 405 N SER A 27 -3.286 8.962 0.708 1.00 0.00 N ATOM 406 CA SER A 27 -4.697 9.158 1.046 1.00 0.00 C ATOM 407 C SER A 27 -5.588 8.307 0.151 1.00 0.00 C ATOM 408 O SER A 27 -5.204 7.936 -0.959 1.00 0.00 O ATOM 409 CB SER A 27 -5.066 10.631 0.887 1.00 0.00 C ATOM 410 OG SER A 27 -6.455 10.794 1.136 1.00 0.00 O ATOM 0 H SER A 27 -3.075 9.053 -0.286 1.00 0.00 H new ATOM 0 HA SER A 27 -4.851 8.853 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.486 11.240 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.822 10.973 -0.119 1.00 0.00 H new ATOM 0 HG SER A 27 -6.696 11.739 1.037 1.00 0.00 H new ATOM 416 N ALA A 28 -6.782 7.999 0.644 1.00 0.00 N ATOM 417 CA ALA A 28 -7.728 7.187 -0.115 1.00 0.00 C ATOM 418 C ALA A 28 -7.755 7.619 -1.579 1.00 0.00 C ATOM 419 O ALA A 28 -7.884 6.787 -2.477 1.00 0.00 O ATOM 420 CB ALA A 28 -9.134 7.333 0.475 1.00 0.00 C ATOM 0 H ALA A 28 -7.117 8.297 1.560 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.408 6.147 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.834 6.724 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.129 7.001 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.441 8.378 0.429 1.00 0.00 H new ATOM 426 N SER A 29 -7.636 8.921 -1.810 1.00 0.00 N ATOM 427 CA SER A 29 -7.651 9.443 -3.172 1.00 0.00 C ATOM 428 C SER A 29 -6.510 8.849 -3.994 1.00 0.00 C ATOM 429 O SER A 29 -6.718 8.364 -5.108 1.00 0.00 O ATOM 430 CB SER A 29 -7.518 10.968 -3.138 1.00 0.00 C ATOM 431 OG SER A 29 -7.185 11.438 -4.437 1.00 0.00 O ATOM 0 H SER A 29 -7.529 9.628 -1.082 1.00 0.00 H new ATOM 0 HA SER A 29 -8.596 9.164 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.452 11.419 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.749 11.262 -2.424 1.00 0.00 H new ATOM 0 HG SER A 29 -7.100 12.414 -4.420 1.00 0.00 H new ATOM 437 N GLU A 30 -5.304 8.890 -3.440 1.00 0.00 N ATOM 438 CA GLU A 30 -4.140 8.358 -4.139 1.00 0.00 C ATOM 439 C GLU A 30 -4.266 6.846 -4.309 1.00 0.00 C ATOM 440 O GLU A 30 -3.970 6.297 -5.375 1.00 0.00 O ATOM 441 CB GLU A 30 -2.873 8.675 -3.340 1.00 0.00 C ATOM 442 CG GLU A 30 -2.764 10.186 -3.130 1.00 0.00 C ATOM 443 CD GLU A 30 -1.579 10.501 -2.228 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.692 9.667 -2.136 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.571 11.575 -1.651 1.00 0.00 O ATOM 0 H GLU A 30 -5.107 9.282 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.081 8.821 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.901 8.165 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.995 8.307 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.644 10.687 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.683 10.567 -2.684 1.00 0.00 H new ATOM 452 N LEU A 31 -4.714 6.178 -3.254 1.00 0.00 N ATOM 453 CA LEU A 31 -4.873 4.733 -3.297 1.00 0.00 C ATOM 454 C LEU A 31 -5.901 4.338 -4.346 1.00 0.00 C ATOM 455 O LEU A 31 -5.696 3.390 -5.105 1.00 0.00 O ATOM 456 CB LEU A 31 -5.310 4.213 -1.923 1.00 0.00 C ATOM 457 CG LEU A 31 -4.980 2.708 -1.805 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.540 2.532 -1.305 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.942 2.046 -0.817 1.00 0.00 C ATOM 0 H LEU A 31 -4.971 6.610 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.914 4.289 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.802 4.769 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.380 4.372 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.085 2.241 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.311 1.470 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.851 2.999 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.434 3.003 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.707 0.985 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.840 2.516 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.966 2.165 -1.171 1.00 0.00 H new ATOM 471 N ARG A 32 -7.002 5.069 -4.387 1.00 0.00 N ATOM 472 CA ARG A 32 -8.043 4.787 -5.355 1.00 0.00 C ATOM 473 C ARG A 32 -7.512 4.955 -6.775 1.00 0.00 C ATOM 474 O ARG A 32 -7.788 4.148 -7.648 1.00 0.00 O ATOM 475 CB ARG A 32 -9.234 5.747 -5.134 1.00 0.00 C ATOM 476 CG ARG A 32 -10.003 5.963 -6.456 1.00 0.00 C ATOM 477 CD ARG A 32 -11.337 6.620 -6.189 1.00 0.00 C ATOM 478 NE ARG A 32 -11.834 7.261 -7.397 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.287 6.547 -8.417 1.00 0.00 C ATOM 480 NH1 ARG A 32 -12.288 5.244 -8.352 1.00 0.00 N ATOM 481 NH2 ARG A 32 -12.728 7.149 -9.486 1.00 0.00 N ATOM 0 H ARG A 32 -7.196 5.855 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.372 3.757 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.904 5.337 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.873 6.703 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.413 6.584 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.155 5.006 -6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.054 5.876 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.234 7.358 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.834 8.279 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.940 4.775 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.637 4.694 -9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.724 8.168 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.077 6.601 -10.272 1.00 0.00 H new ATOM 495 N HIS A 33 -6.764 6.018 -7.001 1.00 0.00 N ATOM 496 CA HIS A 33 -6.240 6.278 -8.333 1.00 0.00 C ATOM 497 C HIS A 33 -5.349 5.134 -8.796 1.00 0.00 C ATOM 498 O HIS A 33 -5.403 4.712 -9.954 1.00 0.00 O ATOM 499 CB HIS A 33 -5.439 7.584 -8.328 1.00 0.00 C ATOM 500 CG HIS A 33 -6.380 8.757 -8.262 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.444 9.595 -7.162 1.00 0.00 N ATOM 502 CD2 HIS A 33 -7.303 9.238 -9.156 1.00 0.00 C ATOM 503 CE1 HIS A 33 -7.378 10.529 -7.418 1.00 0.00 C ATOM 504 NE2 HIS A 33 -7.933 10.359 -8.620 1.00 0.00 N ATOM 0 H HIS A 33 -6.507 6.707 -6.294 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.079 6.365 -9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.760 7.602 -7.476 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.825 7.648 -9.226 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.885 9.518 -6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.510 8.813 -10.127 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.646 11.320 -6.734 1.00 0.00 H new ATOM 512 N VAL A 34 -4.527 4.638 -7.885 1.00 0.00 N ATOM 513 CA VAL A 34 -3.628 3.536 -8.202 1.00 0.00 C ATOM 514 C VAL A 34 -4.409 2.249 -8.452 1.00 0.00 C ATOM 515 O VAL A 34 -4.086 1.472 -9.356 1.00 0.00 O ATOM 516 CB VAL A 34 -2.633 3.319 -7.059 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.787 2.071 -7.336 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.717 4.537 -6.950 1.00 0.00 C ATOM 0 H VAL A 34 -4.462 4.977 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.085 3.796 -9.110 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.180 3.183 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.081 1.922 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.438 1.201 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.240 2.202 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.007 4.387 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.174 4.669 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.316 5.426 -6.749 1.00 0.00 H new ATOM 528 N MET A 35 -5.435 2.012 -7.638 1.00 0.00 N ATOM 529 CA MET A 35 -6.231 0.804 -7.772 1.00 0.00 C ATOM 530 C MET A 35 -6.949 0.754 -9.114 1.00 0.00 C ATOM 531 O MET A 35 -6.987 -0.282 -9.770 1.00 0.00 O ATOM 532 CB MET A 35 -7.269 0.753 -6.640 1.00 0.00 C ATOM 533 CG MET A 35 -6.572 0.386 -5.320 1.00 0.00 C ATOM 534 SD MET A 35 -6.008 -1.334 -5.385 1.00 0.00 S ATOM 535 CE MET A 35 -5.305 -1.408 -3.720 1.00 0.00 C ATOM 0 H MET A 35 -5.729 2.636 -6.887 1.00 0.00 H new ATOM 0 HA MET A 35 -5.560 -0.053 -7.713 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.766 1.718 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.040 0.019 -6.873 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.725 1.050 -5.148 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.259 0.522 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.103 -2.446 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.376 -0.839 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.012 -0.983 -3.007 1.00 0.00 H new ATOM 545 N ILE A 36 -7.499 1.880 -9.524 1.00 0.00 N ATOM 546 CA ILE A 36 -8.187 1.966 -10.804 1.00 0.00 C ATOM 547 C ILE A 36 -7.202 1.868 -11.957 1.00 0.00 C ATOM 548 O ILE A 36 -7.471 1.207 -12.961 1.00 0.00 O ATOM 549 CB ILE A 36 -9.015 3.263 -10.873 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.385 3.046 -10.201 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.225 3.687 -12.329 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.227 2.375 -8.836 1.00 0.00 C ATOM 0 H ILE A 36 -7.485 2.750 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.872 1.123 -10.893 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.471 4.049 -10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.892 4.004 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.015 2.429 -10.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.812 4.605 -12.360 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.258 3.859 -12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.755 2.899 -12.864 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.209 2.234 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.742 1.407 -8.960 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.617 3.006 -8.189 1.00 0.00 H new ATOM 564 N ASN A 37 -6.078 2.550 -11.812 1.00 0.00 N ATOM 565 CA ASN A 37 -5.069 2.559 -12.855 1.00 0.00 C ATOM 566 C ASN A 37 -4.583 1.140 -13.111 1.00 0.00 C ATOM 567 O ASN A 37 -4.141 0.813 -14.213 1.00 0.00 O ATOM 568 CB ASN A 37 -3.896 3.442 -12.441 1.00 0.00 C ATOM 569 CG ASN A 37 -2.806 3.391 -13.505 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.036 3.784 -14.649 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.630 2.922 -13.197 1.00 0.00 N ATOM 0 H ASN A 37 -5.843 3.101 -10.987 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.506 2.960 -13.770 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.234 4.469 -12.303 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.497 3.107 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.897 2.880 -13.905 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.443 2.597 -12.248 1.00 0.00 H new ATOM 578 N LEU A 38 -4.679 0.299 -12.085 1.00 0.00 N ATOM 579 CA LEU A 38 -4.259 -1.095 -12.209 1.00 0.00 C ATOM 580 C LEU A 38 -5.339 -1.935 -12.878 1.00 0.00 C ATOM 581 O LEU A 38 -5.233 -3.161 -12.938 1.00 0.00 O ATOM 582 CB LEU A 38 -3.939 -1.673 -10.831 1.00 0.00 C ATOM 583 CG LEU A 38 -2.626 -1.068 -10.313 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.453 -1.422 -8.831 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.428 -1.612 -11.123 1.00 0.00 C ATOM 0 H LEU A 38 -5.040 0.554 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.364 -1.123 -12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.751 -1.456 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.853 -2.758 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.663 0.015 -10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.522 -0.994 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.290 -1.019 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.425 -2.506 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.504 -1.174 -10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.383 -2.696 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.550 -1.349 -12.174 1.00 0.00 H new ATOM 597 N GLY A 39 -6.368 -1.271 -13.384 1.00 0.00 N ATOM 598 CA GLY A 39 -7.456 -1.970 -14.052 1.00 0.00 C ATOM 599 C GLY A 39 -8.315 -2.725 -13.052 1.00 0.00 C ATOM 600 O GLY A 39 -8.959 -3.713 -13.398 1.00 0.00 O ATOM 0 H GLY A 39 -6.472 -0.257 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.071 -1.255 -14.598 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.049 -2.666 -14.786 1.00 0.00 H new ATOM 604 N GLU A 40 -8.318 -2.258 -11.803 1.00 0.00 N ATOM 605 CA GLU A 40 -9.106 -2.898 -10.743 1.00 0.00 C ATOM 606 C GLU A 40 -10.170 -1.945 -10.236 1.00 0.00 C ATOM 607 O GLU A 40 -9.912 -0.764 -10.047 1.00 0.00 O ATOM 608 CB GLU A 40 -8.195 -3.316 -9.592 1.00 0.00 C ATOM 609 CG GLU A 40 -7.251 -4.422 -10.065 1.00 0.00 C ATOM 610 CD GLU A 40 -6.311 -4.821 -8.932 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.505 -4.335 -7.831 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.417 -5.612 -9.181 1.00 0.00 O ATOM 0 H GLU A 40 -7.787 -1.442 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.590 -3.784 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.621 -2.459 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.792 -3.668 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.826 -5.287 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.674 -4.078 -10.924 1.00 0.00 H new ATOM 619 N LYS A 41 -11.373 -2.465 -10.016 1.00 0.00 N ATOM 620 CA LYS A 41 -12.488 -1.649 -9.525 1.00 0.00 C ATOM 621 C LYS A 41 -12.837 -2.034 -8.093 1.00 0.00 C ATOM 622 O LYS A 41 -13.595 -2.969 -7.856 1.00 0.00 O ATOM 623 CB LYS A 41 -13.710 -1.846 -10.429 1.00 0.00 C ATOM 624 CG LYS A 41 -13.827 -3.321 -10.828 1.00 0.00 C ATOM 625 CD LYS A 41 -15.071 -3.517 -11.691 1.00 0.00 C ATOM 626 CE LYS A 41 -15.201 -4.994 -12.064 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.440 -5.195 -12.867 1.00 0.00 N ATOM 0 H LYS A 41 -11.605 -3.446 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.191 -0.600 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.614 -1.527 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.619 -1.225 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.938 -3.632 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.887 -3.946 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.958 -3.187 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.002 -2.907 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.329 -5.314 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.235 -5.606 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.530 -6.199 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.267 -4.904 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.389 -4.622 -13.733 1.00 0.00 H new ATOM 641 N LEU A 42 -12.276 -1.302 -7.134 1.00 0.00 N ATOM 642 CA LEU A 42 -12.533 -1.578 -5.720 1.00 0.00 C ATOM 643 C LEU A 42 -13.468 -0.524 -5.144 1.00 0.00 C ATOM 644 O LEU A 42 -13.420 0.642 -5.531 1.00 0.00 O ATOM 645 CB LEU A 42 -11.217 -1.570 -4.944 1.00 0.00 C ATOM 646 CG LEU A 42 -10.216 -2.513 -5.620 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.896 -2.491 -4.848 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.779 -3.943 -5.644 1.00 0.00 C ATOM 0 H LEU A 42 -11.645 -0.519 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.001 -2.559 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.811 -0.559 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.389 -1.883 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.044 -2.182 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.183 -3.161 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.494 -1.478 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.069 -2.818 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.062 -4.608 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.958 -4.281 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.716 -3.956 -6.200 1.00 0.00 H new ATOM 660 N THR A 43 -14.323 -0.947 -4.220 1.00 0.00 N ATOM 661 CA THR A 43 -15.271 -0.031 -3.598 1.00 0.00 C ATOM 662 C THR A 43 -14.562 0.887 -2.610 1.00 0.00 C ATOM 663 O THR A 43 -13.567 0.506 -1.995 1.00 0.00 O ATOM 664 CB THR A 43 -16.361 -0.833 -2.865 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.774 -1.976 -2.257 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.438 -1.275 -3.854 1.00 0.00 C ATOM 0 H THR A 43 -14.379 -1.910 -3.887 1.00 0.00 H new ATOM 0 HA THR A 43 -15.726 0.580 -4.378 1.00 0.00 H new ATOM 0 HB THR A 43 -16.818 -0.204 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.465 -2.488 -1.788 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.205 -1.842 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.889 -0.397 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.989 -1.902 -4.625 1.00 0.00 H new ATOM 674 N ASP A 44 -15.091 2.097 -2.460 1.00 0.00 N ATOM 675 CA ASP A 44 -14.503 3.066 -1.546 1.00 0.00 C ATOM 676 C ASP A 44 -14.288 2.430 -0.178 1.00 0.00 C ATOM 677 O ASP A 44 -13.382 2.820 0.565 1.00 0.00 O ATOM 678 CB ASP A 44 -15.423 4.282 -1.408 1.00 0.00 C ATOM 679 CG ASP A 44 -16.812 3.837 -0.965 1.00 0.00 C ATOM 680 OD1 ASP A 44 -17.052 2.641 -0.945 1.00 0.00 O ATOM 681 OD2 ASP A 44 -17.619 4.699 -0.657 1.00 0.00 O ATOM 0 H ASP A 44 -15.919 2.427 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.542 3.387 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.008 4.982 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.487 4.810 -2.360 1.00 0.00 H new ATOM 686 N GLU A 45 -15.123 1.446 0.152 1.00 0.00 N ATOM 687 CA GLU A 45 -15.008 0.765 1.438 1.00 0.00 C ATOM 688 C GLU A 45 -13.669 0.044 1.539 1.00 0.00 C ATOM 689 O GLU A 45 -13.034 0.037 2.593 1.00 0.00 O ATOM 690 CB GLU A 45 -16.148 -0.242 1.597 1.00 0.00 C ATOM 691 CG GLU A 45 -17.478 0.506 1.722 1.00 0.00 C ATOM 692 CD GLU A 45 -18.628 -0.489 1.811 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.361 -1.679 1.787 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.762 -0.047 1.900 1.00 0.00 O ATOM 0 H GLU A 45 -15.877 1.107 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.069 1.509 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.176 -0.914 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.982 -0.859 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.466 1.141 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.619 1.161 0.862 1.00 0.00 H new ATOM 701 N GLU A 46 -13.244 -0.562 0.436 1.00 0.00 N ATOM 702 CA GLU A 46 -11.979 -1.283 0.415 1.00 0.00 C ATOM 703 C GLU A 46 -10.822 -0.330 0.696 1.00 0.00 C ATOM 704 O GLU A 46 -9.909 -0.652 1.457 1.00 0.00 O ATOM 705 CB GLU A 46 -11.778 -1.947 -0.950 1.00 0.00 C ATOM 706 CG GLU A 46 -12.862 -3.004 -1.171 1.00 0.00 C ATOM 707 CD GLU A 46 -12.701 -4.139 -0.164 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.614 -4.275 0.376 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.667 -4.851 0.060 1.00 0.00 O ATOM 0 H GLU A 46 -13.753 -0.568 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.003 -2.050 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.820 -1.197 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.791 -2.407 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.848 -2.552 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.797 -3.396 -2.186 1.00 0.00 H new ATOM 716 N VAL A 47 -10.867 0.845 0.081 1.00 0.00 N ATOM 717 CA VAL A 47 -9.810 1.832 0.281 1.00 0.00 C ATOM 718 C VAL A 47 -9.757 2.274 1.745 1.00 0.00 C ATOM 719 O VAL A 47 -8.683 2.305 2.359 1.00 0.00 O ATOM 720 CB VAL A 47 -10.064 3.045 -0.620 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.052 4.146 -0.301 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.925 2.641 -2.090 1.00 0.00 C ATOM 0 H VAL A 47 -11.612 1.137 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.853 1.379 0.022 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.074 3.414 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.236 5.007 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.155 4.444 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.042 3.773 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.107 3.508 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.918 2.264 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.651 1.862 -2.323 1.00 0.00 H new ATOM 732 N GLU A 48 -10.917 2.622 2.302 1.00 0.00 N ATOM 733 CA GLU A 48 -10.977 3.064 3.676 1.00 0.00 C ATOM 734 C GLU A 48 -10.510 1.952 4.606 1.00 0.00 C ATOM 735 O GLU A 48 -9.698 2.183 5.494 1.00 0.00 O ATOM 736 CB GLU A 48 -12.416 3.452 4.026 1.00 0.00 C ATOM 737 CG GLU A 48 -12.446 4.133 5.389 1.00 0.00 C ATOM 738 CD GLU A 48 -11.865 5.539 5.285 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.576 5.957 4.177 1.00 0.00 O ATOM 740 OE2 GLU A 48 -11.723 6.181 6.314 1.00 0.00 O ATOM 0 H GLU A 48 -11.815 2.603 1.819 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.324 3.928 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.818 4.121 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.050 2.565 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.471 4.181 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.875 3.547 6.109 1.00 0.00 H new ATOM 747 N GLN A 49 -11.016 0.748 4.388 1.00 0.00 N ATOM 748 CA GLN A 49 -10.638 -0.387 5.225 1.00 0.00 C ATOM 749 C GLN A 49 -9.125 -0.560 5.242 1.00 0.00 C ATOM 750 O GLN A 49 -8.535 -0.828 6.287 1.00 0.00 O ATOM 751 CB GLN A 49 -11.297 -1.667 4.694 1.00 0.00 C ATOM 752 CG GLN A 49 -12.786 -1.667 5.041 1.00 0.00 C ATOM 753 CD GLN A 49 -12.972 -1.974 6.523 1.00 0.00 C ATOM 754 OE1 GLN A 49 -13.092 -1.059 7.337 1.00 0.00 O ATOM 755 NE2 GLN A 49 -12.999 -3.216 6.924 1.00 0.00 N ATOM 0 H GLN A 49 -11.683 0.530 3.648 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.980 -0.196 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.166 -1.733 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.813 -2.542 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.224 -0.698 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.309 -2.409 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.899 -3.973 6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.120 -3.430 7.914 1.00 0.00 H new ATOM 764 N MET A 50 -8.499 -0.397 4.083 1.00 0.00 N ATOM 765 CA MET A 50 -7.048 -0.533 3.989 1.00 0.00 C ATOM 766 C MET A 50 -6.350 0.547 4.808 1.00 0.00 C ATOM 767 O MET A 50 -5.349 0.286 5.484 1.00 0.00 O ATOM 768 CB MET A 50 -6.615 -0.419 2.526 1.00 0.00 C ATOM 769 CG MET A 50 -6.961 -1.710 1.789 1.00 0.00 C ATOM 770 SD MET A 50 -6.575 -1.522 0.028 1.00 0.00 S ATOM 771 CE MET A 50 -4.772 -1.589 0.172 1.00 0.00 C ATOM 0 H MET A 50 -8.965 -0.173 3.204 1.00 0.00 H new ATOM 0 HA MET A 50 -6.766 -1.509 4.384 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.114 0.427 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.543 -0.230 2.467 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.398 -2.543 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.018 -1.943 1.918 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.340 -1.863 -0.790 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.395 -0.612 0.474 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.494 -2.332 0.919 1.00 0.00 H new ATOM 781 N ILE A 51 -6.893 1.761 4.755 1.00 0.00 N ATOM 782 CA ILE A 51 -6.323 2.870 5.512 1.00 0.00 C ATOM 783 C ILE A 51 -6.456 2.631 7.011 1.00 0.00 C ATOM 784 O ILE A 51 -5.533 2.894 7.772 1.00 0.00 O ATOM 785 CB ILE A 51 -7.009 4.181 5.129 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.643 4.537 3.687 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.546 5.304 6.064 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.529 5.680 3.207 1.00 0.00 C ATOM 0 H ILE A 51 -7.717 1.999 4.203 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.263 2.938 5.267 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.089 4.064 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.594 4.826 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.771 3.667 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.039 6.236 5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.804 5.051 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.466 5.425 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.269 5.935 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.574 5.374 3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.378 6.550 3.846 1.00 0.00 H new ATOM 800 N LYS A 52 -7.622 2.155 7.432 1.00 0.00 N ATOM 801 CA LYS A 52 -7.864 1.912 8.846 1.00 0.00 C ATOM 802 C LYS A 52 -6.898 0.863 9.379 1.00 0.00 C ATOM 803 O LYS A 52 -6.323 1.027 10.456 1.00 0.00 O ATOM 804 CB LYS A 52 -9.298 1.419 9.046 1.00 0.00 C ATOM 805 CG LYS A 52 -10.271 2.533 8.681 1.00 0.00 C ATOM 806 CD LYS A 52 -11.712 2.064 8.926 1.00 0.00 C ATOM 807 CE LYS A 52 -11.937 1.832 10.432 1.00 0.00 C ATOM 808 NZ LYS A 52 -11.607 0.417 10.759 1.00 0.00 N ATOM 0 H LYS A 52 -8.407 1.932 6.820 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.713 2.845 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.483 0.542 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.449 1.114 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.061 3.421 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.142 2.813 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.415 2.810 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.903 1.143 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.312 2.509 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.972 2.048 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.432 -0.040 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.353 -0.090 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.805 0.392 11.421 1.00 0.00 H new ATOM 822 N GLU A 53 -6.724 -0.210 8.619 1.00 0.00 N ATOM 823 CA GLU A 53 -5.823 -1.278 9.034 1.00 0.00 C ATOM 824 C GLU A 53 -4.397 -0.758 9.160 1.00 0.00 C ATOM 825 O GLU A 53 -3.714 -1.020 10.152 1.00 0.00 O ATOM 826 CB GLU A 53 -5.857 -2.415 8.010 1.00 0.00 C ATOM 827 CG GLU A 53 -7.224 -3.096 8.043 1.00 0.00 C ATOM 828 CD GLU A 53 -7.402 -3.851 9.356 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.548 -4.664 9.669 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.388 -3.603 10.031 1.00 0.00 O ATOM 0 H GLU A 53 -7.188 -0.364 7.724 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.153 -1.647 10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.658 -2.025 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.073 -3.140 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.013 -2.352 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.316 -3.785 7.203 1.00 0.00 H new ATOM 837 N ALA A 54 -3.949 -0.026 8.147 1.00 0.00 N ATOM 838 CA ALA A 54 -2.599 0.522 8.161 1.00 0.00 C ATOM 839 C ALA A 54 -2.489 1.712 9.105 1.00 0.00 C ATOM 840 O ALA A 54 -1.533 1.823 9.867 1.00 0.00 O ATOM 841 CB ALA A 54 -2.203 0.963 6.748 1.00 0.00 C ATOM 0 H ALA A 54 -4.494 0.200 7.315 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.926 -0.260 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.193 1.372 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.236 0.105 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.898 1.726 6.397 1.00 0.00 H new ATOM 847 N ASP A 55 -3.470 2.596 9.040 1.00 0.00 N ATOM 848 CA ASP A 55 -3.476 3.785 9.887 1.00 0.00 C ATOM 849 C ASP A 55 -3.765 3.416 11.332 1.00 0.00 C ATOM 850 O ASP A 55 -4.811 2.846 11.641 1.00 0.00 O ATOM 851 CB ASP A 55 -4.539 4.770 9.399 1.00 0.00 C ATOM 852 CG ASP A 55 -4.377 6.108 10.112 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.461 6.224 10.913 1.00 0.00 O ATOM 854 OD2 ASP A 55 -5.170 6.996 9.850 1.00 0.00 O ATOM 0 H ASP A 55 -4.271 2.517 8.414 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.491 4.247 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.450 4.910 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.534 4.367 9.587 1.00 0.00 H new ATOM 859 N LEU A 56 -2.829 3.740 12.220 1.00 0.00 N ATOM 860 CA LEU A 56 -2.990 3.436 13.642 1.00 0.00 C ATOM 861 C LEU A 56 -3.404 4.676 14.406 1.00 0.00 C ATOM 862 O LEU A 56 -3.739 4.600 15.585 1.00 0.00 O ATOM 863 CB LEU A 56 -1.678 2.905 14.217 1.00 0.00 C ATOM 864 CG LEU A 56 -1.260 1.618 13.458 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.277 1.975 12.337 1.00 0.00 C ATOM 866 CD2 LEU A 56 -0.589 0.639 14.425 1.00 0.00 C ATOM 0 H LEU A 56 -1.955 4.210 11.984 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.766 2.678 13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.898 3.661 14.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.795 2.691 15.279 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.149 1.154 13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.014 1.069 11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.754 2.666 11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.608 2.445 12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.298 -0.263 13.886 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.296 1.105 14.858 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.287 0.377 15.220 1.00 0.00 H new ATOM 878 N ASP A 57 -3.374 5.824 13.731 1.00 0.00 N ATOM 879 CA ASP A 57 -3.749 7.092 14.364 1.00 0.00 C ATOM 880 C ASP A 57 -5.087 7.579 13.815 1.00 0.00 C ATOM 881 O ASP A 57 -5.550 8.665 14.164 1.00 0.00 O ATOM 882 CB ASP A 57 -2.660 8.149 14.090 1.00 0.00 C ATOM 883 CG ASP A 57 -1.304 7.473 13.929 1.00 0.00 C ATOM 884 OD1 ASP A 57 -0.756 7.034 14.928 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.835 7.402 12.799 1.00 0.00 O ATOM 0 H ASP A 57 -3.096 5.905 12.753 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.843 6.937 15.439 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.905 8.710 13.188 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.623 8.866 14.911 1.00 0.00 H new ATOM 890 N GLY A 58 -5.701 6.774 12.954 1.00 0.00 N ATOM 891 CA GLY A 58 -6.983 7.140 12.365 1.00 0.00 C ATOM 892 C GLY A 58 -6.958 8.579 11.865 1.00 0.00 C ATOM 893 O GLY A 58 -7.894 9.340 12.097 1.00 0.00 O ATOM 0 H GLY A 58 -5.335 5.871 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.214 6.467 11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.775 7.021 13.104 1.00 0.00 H new ATOM 897 N ASP A 59 -5.875 8.954 11.181 1.00 0.00 N ATOM 898 CA ASP A 59 -5.731 10.309 10.653 1.00 0.00 C ATOM 899 C ASP A 59 -6.003 10.330 9.156 1.00 0.00 C ATOM 900 O ASP A 59 -5.806 11.348 8.495 1.00 0.00 O ATOM 901 CB ASP A 59 -4.316 10.822 10.929 1.00 0.00 C ATOM 902 CG ASP A 59 -3.285 9.808 10.431 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.572 9.135 9.459 1.00 0.00 O ATOM 904 OD2 ASP A 59 -2.228 9.714 11.033 1.00 0.00 O ATOM 0 H ASP A 59 -5.087 8.338 10.981 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.455 10.956 11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.165 11.780 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.184 10.992 11.998 1.00 0.00 H new ATOM 909 N GLY A 60 -6.458 9.198 8.624 1.00 0.00 N ATOM 910 CA GLY A 60 -6.758 9.103 7.201 1.00 0.00 C ATOM 911 C GLY A 60 -5.502 9.333 6.373 1.00 0.00 C ATOM 912 O GLY A 60 -5.571 9.472 5.155 1.00 0.00 O ATOM 0 H GLY A 60 -6.625 8.342 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.174 8.121 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.516 9.839 6.934 1.00 0.00 H new ATOM 916 N GLN A 61 -4.352 9.372 7.045 1.00 0.00 N ATOM 917 CA GLN A 61 -3.071 9.591 6.364 1.00 0.00 C ATOM 918 C GLN A 61 -2.090 8.473 6.680 1.00 0.00 C ATOM 919 O GLN A 61 -1.607 8.350 7.811 1.00 0.00 O ATOM 920 CB GLN A 61 -2.478 10.926 6.813 1.00 0.00 C ATOM 921 CG GLN A 61 -3.324 12.068 6.274 1.00 0.00 C ATOM 922 CD GLN A 61 -2.865 13.396 6.868 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.448 13.446 8.024 1.00 0.00 O ATOM 924 NE2 GLN A 61 -2.920 14.485 6.145 1.00 0.00 N ATOM 0 H GLN A 61 -4.278 9.256 8.056 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.249 9.603 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.440 10.971 7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.453 11.019 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.249 12.103 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.373 11.897 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.266 14.444 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.617 15.375 6.540 1.00 0.00 H new ATOM 933 N VAL A 62 -1.796 7.650 5.669 1.00 0.00 N ATOM 934 CA VAL A 62 -0.870 6.540 5.861 1.00 0.00 C ATOM 935 C VAL A 62 0.556 7.016 5.586 1.00 0.00 C ATOM 936 O VAL A 62 0.888 7.403 4.459 1.00 0.00 O ATOM 937 CB VAL A 62 -1.223 5.391 4.909 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.640 4.081 5.434 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.741 5.276 4.790 1.00 0.00 C ATOM 0 H VAL A 62 -2.180 7.732 4.727 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.945 6.184 6.888 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.799 5.595 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.895 3.270 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.444 4.168 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.052 3.869 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.992 4.459 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.169 5.078 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.147 6.209 4.399 1.00 0.00 H new ATOM 949 N ASN A 63 1.388 6.994 6.626 1.00 0.00 N ATOM 950 CA ASN A 63 2.772 7.428 6.498 1.00 0.00 C ATOM 951 C ASN A 63 3.637 6.305 5.934 1.00 0.00 C ATOM 952 O ASN A 63 3.246 5.138 5.951 1.00 0.00 O ATOM 953 CB ASN A 63 3.314 7.853 7.865 1.00 0.00 C ATOM 954 CG ASN A 63 2.353 8.835 8.525 1.00 0.00 C ATOM 955 OD1 ASN A 63 1.349 9.221 7.927 1.00 0.00 O ATOM 956 ND2 ASN A 63 2.602 9.265 9.732 1.00 0.00 N ATOM 0 H ASN A 63 1.127 6.681 7.561 1.00 0.00 H new ATOM 0 HA ASN A 63 2.805 8.275 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.446 6.978 8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.295 8.314 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.964 9.922 10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.435 8.944 10.226 1.00 0.00 H new ATOM 963 N TYR A 64 4.812 6.666 5.432 1.00 0.00 N ATOM 964 CA TYR A 64 5.722 5.684 4.859 1.00 0.00 C ATOM 965 C TYR A 64 5.992 4.563 5.855 1.00 0.00 C ATOM 966 O TYR A 64 6.026 3.392 5.483 1.00 0.00 O ATOM 967 CB TYR A 64 7.046 6.355 4.480 1.00 0.00 C ATOM 968 CG TYR A 64 8.020 5.311 3.981 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.971 4.884 2.651 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.969 4.767 4.854 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.868 3.916 2.190 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.867 3.797 4.395 1.00 0.00 C ATOM 973 CZ TYR A 64 9.817 3.372 3.061 1.00 0.00 C ATOM 974 OH TYR A 64 10.703 2.417 2.610 1.00 0.00 O ATOM 0 H TYR A 64 5.155 7.626 5.410 1.00 0.00 H new ATOM 0 HA TYR A 64 5.257 5.264 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.877 7.107 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.463 6.873 5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.238 5.303 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.008 5.096 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.828 3.588 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.598 3.376 5.069 1.00 0.00 H new ATOM 0 HH TYR A 64 11.294 2.147 3.343 1.00 0.00 H new ATOM 984 N GLU A 65 6.181 4.927 7.117 1.00 0.00 N ATOM 985 CA GLU A 65 6.446 3.938 8.161 1.00 0.00 C ATOM 986 C GLU A 65 5.285 2.945 8.255 1.00 0.00 C ATOM 987 O GLU A 65 5.487 1.736 8.395 1.00 0.00 O ATOM 988 CB GLU A 65 6.649 4.645 9.507 1.00 0.00 C ATOM 989 CG GLU A 65 5.591 5.740 9.677 1.00 0.00 C ATOM 990 CD GLU A 65 5.746 6.412 11.031 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.875 6.665 11.416 1.00 0.00 O ATOM 992 OE2 GLU A 65 4.735 6.670 11.661 1.00 0.00 O ATOM 0 H GLU A 65 6.157 5.893 7.444 1.00 0.00 H new ATOM 0 HA GLU A 65 7.353 3.389 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.576 3.925 10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.648 5.080 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.691 6.479 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.594 5.309 9.588 1.00 0.00 H new ATOM 999 N GLU A 66 4.068 3.454 8.195 1.00 0.00 N ATOM 1000 CA GLU A 66 2.898 2.597 8.267 1.00 0.00 C ATOM 1001 C GLU A 66 2.802 1.744 7.003 1.00 0.00 C ATOM 1002 O GLU A 66 2.390 0.587 7.044 1.00 0.00 O ATOM 1003 CB GLU A 66 1.634 3.444 8.414 1.00 0.00 C ATOM 1004 CG GLU A 66 1.563 4.024 9.828 1.00 0.00 C ATOM 1005 CD GLU A 66 0.385 4.992 9.950 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.249 5.271 8.945 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.133 5.439 11.052 1.00 0.00 O ATOM 0 H GLU A 66 3.864 4.449 8.097 1.00 0.00 H new ATOM 0 HA GLU A 66 2.991 1.945 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.637 4.250 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.752 2.835 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.456 3.218 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.493 4.542 10.062 1.00 0.00 H new ATOM 1014 N PHE A 67 3.175 2.327 5.875 1.00 0.00 N ATOM 1015 CA PHE A 67 3.113 1.607 4.611 1.00 0.00 C ATOM 1016 C PHE A 67 4.129 0.470 4.568 1.00 0.00 C ATOM 1017 O PHE A 67 3.783 -0.678 4.285 1.00 0.00 O ATOM 1018 CB PHE A 67 3.403 2.564 3.453 1.00 0.00 C ATOM 1019 CG PHE A 67 3.049 1.901 2.144 1.00 0.00 C ATOM 1020 CD1 PHE A 67 3.971 1.056 1.513 1.00 0.00 C ATOM 1021 CD2 PHE A 67 1.800 2.133 1.558 1.00 0.00 C ATOM 1022 CE1 PHE A 67 3.641 0.443 0.297 1.00 0.00 C ATOM 1023 CE2 PHE A 67 1.470 1.520 0.343 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.391 0.675 -0.288 1.00 0.00 C ATOM 0 H PHE A 67 3.520 3.285 5.807 1.00 0.00 H new ATOM 0 HA PHE A 67 2.111 1.189 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.827 3.482 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.456 2.845 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.936 0.877 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.089 2.786 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.352 -0.209 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.505 1.699 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.137 0.203 -1.225 1.00 0.00 H new ATOM 1034 N VAL A 68 5.387 0.794 4.851 1.00 0.00 N ATOM 1035 CA VAL A 68 6.436 -0.217 4.827 1.00 0.00 C ATOM 1036 C VAL A 68 6.157 -1.338 5.815 1.00 0.00 C ATOM 1037 O VAL A 68 6.145 -2.522 5.463 1.00 0.00 O ATOM 1038 CB VAL A 68 7.786 0.433 5.179 1.00 0.00 C ATOM 1039 CG1 VAL A 68 7.719 1.070 6.563 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.907 -0.627 5.145 1.00 0.00 C ATOM 0 H VAL A 68 5.701 1.733 5.096 1.00 0.00 H new ATOM 0 HA VAL A 68 6.466 -0.642 3.824 1.00 0.00 H new ATOM 0 HB VAL A 68 8.004 1.207 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.680 1.526 6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.942 1.834 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.487 0.305 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.859 -0.158 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.688 -1.412 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.968 -1.061 4.147 1.00 0.00 H new ATOM 1050 N LYS A 69 5.945 -0.971 7.062 1.00 0.00 N ATOM 1051 CA LYS A 69 5.685 -1.969 8.089 1.00 0.00 C ATOM 1052 C LYS A 69 4.526 -2.871 7.671 1.00 0.00 C ATOM 1053 O LYS A 69 4.570 -4.090 7.847 1.00 0.00 O ATOM 1054 CB LYS A 69 5.377 -1.269 9.426 1.00 0.00 C ATOM 1055 CG LYS A 69 3.862 -1.020 9.574 1.00 0.00 C ATOM 1056 CD LYS A 69 3.557 -0.280 10.878 1.00 0.00 C ATOM 1057 CE LYS A 69 3.267 -1.296 11.987 1.00 0.00 C ATOM 1058 NZ LYS A 69 4.469 -2.147 12.207 1.00 0.00 N ATOM 0 H LYS A 69 5.946 -0.005 7.390 1.00 0.00 H new ATOM 0 HA LYS A 69 6.570 -2.592 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.732 -1.883 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.913 -0.321 9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.500 -0.437 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.329 -1.971 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.402 0.348 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.700 0.380 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.001 -0.778 12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.414 -1.917 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.439 -2.549 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.481 -2.917 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.327 -1.570 12.101 1.00 0.00 H new ATOM 1072 N MET A 70 3.473 -2.247 7.146 1.00 0.00 N ATOM 1073 CA MET A 70 2.297 -2.988 6.736 1.00 0.00 C ATOM 1074 C MET A 70 2.652 -3.962 5.633 1.00 0.00 C ATOM 1075 O MET A 70 2.166 -5.083 5.613 1.00 0.00 O ATOM 1076 CB MET A 70 1.216 -2.017 6.247 1.00 0.00 C ATOM 1077 CG MET A 70 0.446 -1.430 7.429 1.00 0.00 C ATOM 1078 SD MET A 70 -0.535 -2.728 8.234 1.00 0.00 S ATOM 1079 CE MET A 70 -1.650 -3.081 6.853 1.00 0.00 C ATOM 0 H MET A 70 3.416 -1.239 6.998 1.00 0.00 H new ATOM 0 HA MET A 70 1.916 -3.548 7.590 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.675 -1.214 5.670 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.528 -2.536 5.580 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.141 -0.991 8.145 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.208 -0.628 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.659 -3.242 7.232 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.652 -2.238 6.162 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.311 -3.976 6.331 1.00 0.00 H new ATOM 1089 N MET A 71 3.504 -3.527 4.722 1.00 0.00 N ATOM 1090 CA MET A 71 3.916 -4.375 3.614 1.00 0.00 C ATOM 1091 C MET A 71 4.616 -5.622 4.134 1.00 0.00 C ATOM 1092 O MET A 71 4.505 -6.697 3.539 1.00 0.00 O ATOM 1093 CB MET A 71 4.855 -3.597 2.682 1.00 0.00 C ATOM 1094 CG MET A 71 4.038 -2.648 1.802 1.00 0.00 C ATOM 1095 SD MET A 71 3.044 -3.599 0.622 1.00 0.00 S ATOM 1096 CE MET A 71 4.341 -3.877 -0.610 1.00 0.00 C ATOM 0 H MET A 71 3.923 -2.597 4.726 1.00 0.00 H new ATOM 0 HA MET A 71 3.030 -4.679 3.057 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.579 -3.032 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.421 -4.290 2.059 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.389 -2.031 2.423 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.704 -1.971 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.885 -4.057 -1.584 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.984 -2.998 -0.667 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.936 -4.744 -0.323 1.00 0.00 H new ATOM 1106 N MET A 72 5.333 -5.476 5.240 1.00 0.00 N ATOM 1107 CA MET A 72 6.035 -6.617 5.827 1.00 0.00 C ATOM 1108 C MET A 72 5.055 -7.564 6.521 1.00 0.00 C ATOM 1109 O MET A 72 5.108 -8.780 6.324 1.00 0.00 O ATOM 1110 CB MET A 72 7.070 -6.116 6.841 1.00 0.00 C ATOM 1111 CG MET A 72 8.336 -5.673 6.106 1.00 0.00 C ATOM 1112 SD MET A 72 7.906 -4.439 4.857 1.00 0.00 S ATOM 1113 CE MET A 72 9.432 -4.541 3.896 1.00 0.00 C ATOM 0 H MET A 72 5.445 -4.596 5.744 1.00 0.00 H new ATOM 0 HA MET A 72 6.534 -7.164 5.027 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.660 -5.284 7.414 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.308 -6.906 7.553 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.053 -5.256 6.813 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.815 -6.531 5.635 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.381 -3.847 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.280 -4.282 4.530 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.558 -5.556 3.520 1.00 0.00 H new ATOM 1123 N THR A 73 4.170 -7.000 7.336 1.00 0.00 N ATOM 1124 CA THR A 73 3.194 -7.805 8.061 1.00 0.00 C ATOM 1125 C THR A 73 2.331 -8.599 7.094 1.00 0.00 C ATOM 1126 O THR A 73 1.822 -9.665 7.433 1.00 0.00 O ATOM 1127 CB THR A 73 2.304 -6.905 8.919 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.119 -6.047 9.707 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.419 -7.764 9.823 1.00 0.00 C ATOM 0 H THR A 73 4.108 -5.997 7.510 1.00 0.00 H new ATOM 0 HA THR A 73 3.734 -8.500 8.704 1.00 0.00 H new ATOM 0 HB THR A 73 1.667 -6.301 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.464 -5.320 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.787 -7.119 10.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.792 -8.412 9.210 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.046 -8.375 10.472 1.00 0.00 H new ATOM 1137 N VAL A 74 2.177 -8.079 5.884 1.00 0.00 N ATOM 1138 CA VAL A 74 1.378 -8.762 4.872 1.00 0.00 C ATOM 1139 C VAL A 74 1.966 -10.130 4.555 1.00 0.00 C ATOM 1140 O VAL A 74 1.241 -11.122 4.477 1.00 0.00 O ATOM 1141 CB VAL A 74 1.319 -7.909 3.598 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.723 -8.737 2.449 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.438 -6.664 3.846 1.00 0.00 C ATOM 0 H VAL A 74 2.589 -7.197 5.580 1.00 0.00 H new ATOM 0 HA VAL A 74 0.369 -8.903 5.261 1.00 0.00 H new ATOM 0 HB VAL A 74 2.327 -7.592 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.682 -8.129 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.347 -9.612 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.284 -9.058 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.398 -6.060 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.570 -6.979 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.863 -6.073 4.657 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.600 -7.942 6.335 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.231 -6.945 5.484 1.00 0.00 C ATOM 1207 C GLY A 80 -5.851 -7.592 4.249 1.00 0.00 C ATOM 1208 O GLY A 80 -5.184 -8.329 3.522 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.000 -6.416 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.493 -6.203 5.178 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.129 -7.314 4.019 1.00 0.00 N ATOM 1213 CA ASN A 81 -7.824 -7.875 2.867 1.00 0.00 C ATOM 1214 C ASN A 81 -7.408 -7.145 1.585 1.00 0.00 C ATOM 1215 O ASN A 81 -7.100 -7.765 0.562 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.339 -7.748 3.065 1.00 0.00 C ATOM 1217 CG ASN A 81 -9.791 -8.635 4.220 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.546 -9.842 4.213 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -10.437 -8.105 5.225 1.00 0.00 N ATOM 0 H ASN A 81 -7.701 -6.709 4.609 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.556 -8.928 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.601 -6.710 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.859 -8.035 2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.738 -8.691 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.640 -7.105 5.231 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.372 -5.819 1.657 1.00 0.00 N ATOM 1227 CA GLY A 82 -6.980 -5.017 0.504 1.00 0.00 C ATOM 1228 C GLY A 82 -5.465 -5.040 0.309 1.00 0.00 C ATOM 1229 O GLY A 82 -4.967 -5.182 -0.812 1.00 0.00 O ATOM 0 H GLY A 82 -7.607 -5.282 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.471 -5.397 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.317 -3.989 0.640 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.734 -4.902 1.410 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.278 -4.905 1.347 1.00 0.00 C ATOM 1235 C TRP A 83 -2.797 -6.204 0.706 1.00 0.00 C ATOM 1236 O TRP A 83 -1.868 -6.200 -0.100 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.697 -4.772 2.753 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.006 -3.415 3.296 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.854 -3.163 4.322 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.497 -2.125 2.856 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.889 -1.799 4.544 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.071 -1.115 3.666 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.601 -1.735 1.846 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.767 0.234 3.481 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.293 -0.379 1.657 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.874 0.604 2.473 1.00 0.00 C ATOM 0 H TRP A 83 -5.121 -4.788 2.347 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.942 -4.061 0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.115 -5.539 3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.619 -4.928 2.728 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.411 -3.905 4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.451 -1.352 5.268 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.147 -2.483 1.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.218 0.986 4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.604 -0.090 0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.631 1.645 2.322 1.00 0.00 H new ATOM 1257 N SER A 84 -3.443 -7.312 1.066 1.00 0.00 N ATOM 1258 CA SER A 84 -3.077 -8.611 0.514 1.00 0.00 C ATOM 1259 C SER A 84 -3.442 -8.683 -0.969 1.00 0.00 C ATOM 1260 O SER A 84 -2.712 -9.267 -1.775 1.00 0.00 O ATOM 1261 CB SER A 84 -3.805 -9.725 1.268 1.00 0.00 C ATOM 1262 OG SER A 84 -5.208 -9.524 1.161 1.00 0.00 O ATOM 0 H SER A 84 -4.215 -7.335 1.732 1.00 0.00 H new ATOM 0 HA SER A 84 -2.000 -8.740 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.533 -10.697 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.505 -9.727 2.316 1.00 0.00 H new ATOM 0 HG SER A 84 -5.534 -9.060 1.960 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.563 -8.058 -1.328 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.984 -8.054 -2.731 1.00 0.00 C ATOM 1270 C ARG A 85 -3.925 -7.405 -3.611 1.00 0.00 C ATOM 1271 O ARG A 85 -3.580 -7.932 -4.670 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.320 -7.310 -2.870 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.474 -8.244 -2.514 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.789 -7.471 -2.559 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.905 -8.361 -2.278 1.00 0.00 N ATOM 1276 CZ ARG A 85 -11.106 -7.881 -1.975 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.299 -6.591 -1.923 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -12.091 -8.699 -1.726 1.00 0.00 N ATOM 0 H ARG A 85 -5.182 -7.560 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.112 -9.085 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.331 -6.439 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.438 -6.944 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.508 -9.080 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.321 -8.665 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.768 -6.661 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.917 -7.014 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.763 -9.370 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.528 -5.952 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.221 -6.222 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.939 -9.707 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.013 -8.331 -1.493 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.415 -6.268 -3.174 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.394 -5.570 -3.937 1.00 0.00 C ATOM 1294 C LEU A 86 -1.068 -6.324 -3.866 1.00 0.00 C ATOM 1295 O LEU A 86 -0.318 -6.378 -4.834 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.214 -4.153 -3.393 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.278 -3.342 -4.327 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.107 -2.654 -5.418 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.531 -2.283 -3.512 1.00 0.00 C ATOM 0 H LEU A 86 -3.687 -5.811 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.712 -5.517 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.182 -3.658 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.795 -4.191 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.560 -4.018 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.447 -2.085 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.636 -3.407 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.829 -1.980 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.126 -1.714 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.250 -1.609 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.063 -2.771 -2.739 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.781 -6.878 -2.698 1.00 0.00 N ATOM 1312 CA ARG A 87 0.464 -7.607 -2.495 1.00 0.00 C ATOM 1313 C ARG A 87 0.450 -8.922 -3.264 1.00 0.00 C ATOM 1314 O ARG A 87 1.486 -9.563 -3.439 1.00 0.00 O ATOM 1315 CB ARG A 87 0.679 -7.878 -1.001 1.00 0.00 C ATOM 1316 CG ARG A 87 2.184 -8.033 -0.725 1.00 0.00 C ATOM 1317 CD ARG A 87 2.897 -6.659 -0.831 1.00 0.00 C ATOM 1318 NE ARG A 87 3.812 -6.669 -1.962 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.044 -7.144 -1.844 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.447 -7.629 -0.703 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.854 -7.125 -2.869 1.00 0.00 N ATOM 0 H ARG A 87 -1.389 -6.838 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 87 1.285 -6.995 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.271 -7.059 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.148 -8.782 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.337 -8.453 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.621 -8.733 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.161 -5.865 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.443 -6.449 0.089 1.00 0.00 H new ATOM 0 HE ARG A 87 3.500 -6.304 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.815 -7.643 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.395 -7.995 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.539 -6.744 -3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.802 -7.491 -2.777 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.733 -9.313 -3.723 1.00 0.00 N ATOM 1336 CA ARG A 88 -0.878 -10.552 -4.491 1.00 0.00 C ATOM 1337 C ARG A 88 -0.701 -10.286 -5.982 1.00 0.00 C ATOM 1338 O ARG A 88 -0.110 -11.094 -6.699 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.253 -11.171 -4.218 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.200 -12.003 -2.935 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.593 -12.540 -2.622 1.00 0.00 C ATOM 1342 NE ARG A 88 -3.555 -13.357 -1.416 1.00 0.00 N ATOM 1343 CZ ARG A 88 -4.660 -13.904 -0.923 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -5.804 -13.714 -1.521 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.602 -14.628 0.161 1.00 0.00 N ATOM 0 H ARG A 88 -1.602 -8.798 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.103 -11.252 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.003 -10.386 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.553 -11.798 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.498 -12.828 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.839 -11.393 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.289 -11.712 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.960 -13.132 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.665 -13.511 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.849 -13.146 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.653 -14.134 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.708 -14.774 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.451 -15.048 0.540 1.00 0.00 H new