USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 57 THR OG1 : rot 64:sc= 0.598 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -130:sc= -0.199 USER MOD Single : A 26 ASN : amide:sc= 0.124 K(o=0.12,f=-4.1!) USER MOD Single : A 27 SER OG : rot 87:sc= 0.827 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.66! C(o=-6.7!,f=-10!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.176 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.11) USER MOD Single : A 85 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.5) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 179:sc= -0.573 (180deg=-0.577) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 26:sc= 0.413 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.878 15.576 4.303 1.00 0.00 N ATOM 118 CA PRO A 12 6.149 14.614 3.472 1.00 0.00 C ATOM 119 C PRO A 12 5.834 13.323 4.221 1.00 0.00 C ATOM 120 O PRO A 12 6.599 12.360 4.166 1.00 0.00 O ATOM 121 CB PRO A 12 7.114 14.339 2.316 1.00 0.00 C ATOM 122 CG PRO A 12 8.465 14.629 2.874 1.00 0.00 C ATOM 123 CD PRO A 12 8.273 15.746 3.863 1.00 0.00 C ATOM 0 HA PRO A 12 5.181 15.002 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.040 13.306 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.895 14.974 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.885 13.747 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.159 14.921 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.970 15.668 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.433 16.721 3.404 1.00 0.00 H new ATOM 131 N ARG A 13 4.703 13.311 4.919 1.00 0.00 N ATOM 132 CA ARG A 13 4.288 12.138 5.680 1.00 0.00 C ATOM 133 C ARG A 13 3.292 11.299 4.885 1.00 0.00 C ATOM 134 O ARG A 13 2.367 11.831 4.271 1.00 0.00 O ATOM 135 CB ARG A 13 3.666 12.562 7.012 1.00 0.00 C ATOM 136 CG ARG A 13 3.601 11.442 8.037 1.00 0.00 C ATOM 137 CD ARG A 13 4.879 11.361 8.857 1.00 0.00 C ATOM 138 NE ARG A 13 4.971 10.111 9.606 1.00 0.00 N ATOM 139 CZ ARG A 13 5.997 9.797 10.389 1.00 0.00 C ATOM 140 NH1 ARG A 13 7.013 10.638 10.525 1.00 0.00 N ATOM 141 NH2 ARG A 13 6.008 8.640 11.038 1.00 0.00 N ATOM 0 H ARG A 13 4.058 14.099 4.973 1.00 0.00 H new ATOM 0 HA ARG A 13 5.172 11.532 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.243 13.389 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.658 12.936 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.752 11.604 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.433 10.492 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.740 11.451 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.919 12.202 9.549 1.00 0.00 H new ATOM 0 HE ARG A 13 4.205 9.442 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.008 11.529 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.800 10.394 11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.228 7.991 10.936 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.796 8.400 11.639 1.00 0.00 H new ATOM 155 N PHE A 14 3.488 9.985 4.900 1.00 0.00 N ATOM 156 CA PHE A 14 2.608 9.072 4.180 1.00 0.00 C ATOM 157 C PHE A 14 1.205 9.083 4.779 1.00 0.00 C ATOM 158 O PHE A 14 0.972 9.682 5.828 1.00 0.00 O ATOM 159 CB PHE A 14 3.177 7.652 4.210 1.00 0.00 C ATOM 160 CG PHE A 14 4.219 7.401 3.158 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.850 7.135 1.849 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.567 7.431 3.477 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.807 6.903 0.879 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.528 7.200 2.511 1.00 0.00 C ATOM 165 CZ PHE A 14 6.148 6.937 1.210 1.00 0.00 C ATOM 0 H PHE A 14 4.249 9.528 5.403 1.00 0.00 H new ATOM 0 HA PHE A 14 2.544 9.409 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.611 7.464 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.362 6.940 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.803 7.109 1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.870 7.637 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.507 6.695 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.575 7.225 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.897 6.758 0.453 1.00 0.00 H new ATOM 175 N GLU A 15 0.275 8.416 4.104 1.00 0.00 N ATOM 176 CA GLU A 15 -1.106 8.350 4.569 1.00 0.00 C ATOM 177 C GLU A 15 -1.218 7.482 5.819 1.00 0.00 C ATOM 178 O GLU A 15 -1.887 7.849 6.785 1.00 0.00 O ATOM 179 CB GLU A 15 -2.013 7.797 3.467 1.00 0.00 C ATOM 180 CG GLU A 15 -2.089 8.687 2.238 1.00 0.00 C ATOM 181 CD GLU A 15 -3.366 8.479 1.446 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.409 9.038 1.846 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.322 7.758 0.428 1.00 0.00 O ATOM 0 H GLU A 15 0.452 7.914 3.234 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.427 9.361 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.651 6.812 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.017 7.660 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.022 9.731 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.231 8.488 1.596 1.00 0.00 H new ATOM 190 N LYS A 16 -0.559 6.329 5.792 1.00 0.00 N ATOM 191 CA LYS A 16 -0.583 5.407 6.922 1.00 0.00 C ATOM 192 C LYS A 16 0.832 5.091 7.395 1.00 0.00 C ATOM 193 O LYS A 16 1.771 5.061 6.600 1.00 0.00 O ATOM 194 CB LYS A 16 -1.305 4.114 6.536 1.00 0.00 C ATOM 195 CG LYS A 16 -2.464 4.326 5.579 1.00 0.00 C ATOM 196 CD LYS A 16 -2.706 3.100 4.714 1.00 0.00 C ATOM 197 CE LYS A 16 -3.244 3.482 3.344 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.731 3.556 3.332 1.00 0.00 N ATOM 0 H LYS A 16 -0.001 6.010 5.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.122 5.886 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.589 3.430 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.675 3.631 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.367 4.557 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.258 5.186 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.775 2.545 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.413 2.436 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.830 4.446 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.911 2.752 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.058 3.819 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.127 2.630 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.049 4.271 4.017 1.00 0.00 H new ATOM 212 N SER A 17 0.977 4.853 8.695 1.00 0.00 N ATOM 213 CA SER A 17 2.278 4.540 9.275 1.00 0.00 C ATOM 214 C SER A 17 2.783 3.189 8.779 1.00 0.00 C ATOM 215 O SER A 17 3.961 3.034 8.455 1.00 0.00 O ATOM 216 CB SER A 17 2.191 4.535 10.802 1.00 0.00 C ATOM 217 OG SER A 17 2.421 5.830 11.330 1.00 0.00 O ATOM 0 H SER A 17 0.209 4.871 9.366 1.00 0.00 H new ATOM 0 HA SER A 17 2.983 5.310 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.208 4.182 11.112 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.923 3.838 11.209 1.00 0.00 H new ATOM 0 HG SER A 17 2.358 5.801 12.308 1.00 0.00 H new ATOM 223 N VAL A 18 1.883 2.212 8.721 1.00 0.00 N ATOM 224 CA VAL A 18 2.236 0.874 8.264 1.00 0.00 C ATOM 225 C VAL A 18 1.263 0.382 7.198 1.00 0.00 C ATOM 226 O VAL A 18 0.211 -0.175 7.513 1.00 0.00 O ATOM 227 CB VAL A 18 2.253 -0.132 9.430 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.656 -1.514 8.939 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.189 0.345 10.531 1.00 0.00 C ATOM 0 H VAL A 18 0.904 2.323 8.985 1.00 0.00 H new ATOM 0 HA VAL A 18 3.236 0.940 7.836 1.00 0.00 H new ATOM 0 HB VAL A 18 1.246 -0.199 9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.662 -2.211 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.943 -1.856 8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.652 -1.468 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.189 -0.378 11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.199 0.443 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.850 1.312 10.903 1.00 0.00 H new ATOM 239 N TYR A 19 1.620 0.592 5.936 1.00 0.00 N ATOM 240 CA TYR A 19 0.777 0.173 4.823 1.00 0.00 C ATOM 241 C TYR A 19 0.484 -1.323 4.896 1.00 0.00 C ATOM 242 O TYR A 19 1.350 -2.150 4.615 1.00 0.00 O ATOM 243 CB TYR A 19 1.451 0.508 3.491 1.00 0.00 C ATOM 244 CG TYR A 19 1.310 1.959 3.090 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.613 2.980 3.982 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.874 2.309 1.818 1.00 0.00 C ATOM 247 CE1 TYR A 19 1.485 4.307 3.620 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.745 3.633 1.446 1.00 0.00 C ATOM 249 CZ TYR A 19 1.051 4.628 2.351 1.00 0.00 C ATOM 250 OH TYR A 19 0.924 5.949 1.985 1.00 0.00 O ATOM 0 H TYR A 19 2.488 1.050 5.658 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.167 0.714 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.510 0.259 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.024 -0.120 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.955 2.732 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.632 1.532 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.723 5.088 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.407 3.888 0.453 1.00 0.00 H new ATOM 0 HH TYR A 19 0.041 6.095 1.587 1.00 0.00 H new ATOM 260 N GLU A 20 -0.745 -1.660 5.274 1.00 0.00 N ATOM 261 CA GLU A 20 -1.154 -3.056 5.383 1.00 0.00 C ATOM 262 C GLU A 20 -2.099 -3.437 4.248 1.00 0.00 C ATOM 263 O GLU A 20 -3.212 -2.920 4.153 1.00 0.00 O ATOM 264 CB GLU A 20 -1.831 -3.308 6.732 1.00 0.00 C ATOM 265 CG GLU A 20 -1.831 -4.769 7.150 1.00 0.00 C ATOM 266 CD GLU A 20 -2.406 -4.979 8.536 1.00 0.00 C ATOM 267 OE1 GLU A 20 -3.614 -4.722 8.724 1.00 0.00 O ATOM 268 OE2 GLU A 20 -1.648 -5.402 9.435 1.00 0.00 O ATOM 0 H GLU A 20 -1.474 -0.987 5.510 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.260 -3.676 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.326 -2.720 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.860 -2.953 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.408 -5.349 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.810 -5.151 7.122 1.00 0.00 H new ATOM 275 N ALA A 21 -1.647 -4.343 3.388 1.00 0.00 N ATOM 276 CA ALA A 21 -2.452 -4.795 2.260 1.00 0.00 C ATOM 277 C ALA A 21 -2.384 -6.311 2.109 1.00 0.00 C ATOM 278 O ALA A 21 -1.625 -6.980 2.809 1.00 0.00 O ATOM 279 CB ALA A 21 -1.995 -4.114 0.979 1.00 0.00 C ATOM 0 H ALA A 21 -0.727 -4.779 3.451 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.489 -4.522 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.605 -4.461 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.103 -3.034 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.950 -4.358 0.790 1.00 0.00 H new ATOM 285 N ASP A 22 -3.183 -6.845 1.192 1.00 0.00 N ATOM 286 CA ASP A 22 -3.214 -8.283 0.949 1.00 0.00 C ATOM 287 C ASP A 22 -2.733 -8.606 -0.462 1.00 0.00 C ATOM 288 O ASP A 22 -3.266 -8.087 -1.445 1.00 0.00 O ATOM 289 CB ASP A 22 -4.628 -8.827 1.157 1.00 0.00 C ATOM 290 CG ASP A 22 -5.610 -8.294 0.132 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.539 -8.726 -1.037 1.00 0.00 O ATOM 292 OD2 ASP A 22 -6.448 -7.444 0.499 1.00 0.00 O ATOM 0 H ASP A 22 -3.818 -6.304 0.605 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.541 -8.761 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.607 -9.915 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.972 -8.563 2.157 1.00 0.00 H new ATOM 297 N LEU A 23 -1.723 -9.464 -0.556 1.00 0.00 N ATOM 298 CA LEU A 23 -1.170 -9.855 -1.848 1.00 0.00 C ATOM 299 C LEU A 23 -1.290 -11.361 -2.058 1.00 0.00 C ATOM 300 O LEU A 23 -0.964 -12.149 -1.171 1.00 0.00 O ATOM 301 CB LEU A 23 0.297 -9.430 -1.946 1.00 0.00 C ATOM 302 CG LEU A 23 0.898 -9.415 -3.352 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.194 -10.830 -3.822 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.038 -8.713 -4.325 1.00 0.00 C ATOM 0 H LEU A 23 -1.271 -9.902 0.246 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.741 -9.351 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.395 -8.431 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.891 -10.101 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 23 1.837 -8.862 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.621 -10.799 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.903 -11.299 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.270 -11.408 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.406 -8.712 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.993 -9.238 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.199 -7.686 -3.998 1.00 0.00 H new ATOM 316 N ALA A 24 -1.757 -11.753 -3.239 1.00 0.00 N ATOM 317 CA ALA A 24 -1.916 -13.165 -3.567 1.00 0.00 C ATOM 318 C ALA A 24 -0.581 -13.791 -3.956 1.00 0.00 C ATOM 319 O ALA A 24 0.019 -13.418 -4.964 1.00 0.00 O ATOM 320 CB ALA A 24 -2.928 -13.335 -4.690 1.00 0.00 C ATOM 0 H ALA A 24 -2.032 -11.113 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.285 -13.680 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.037 -14.394 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.891 -12.932 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.582 -12.801 -5.575 1.00 0.00 H new ATOM 326 N GLU A 25 -0.123 -14.744 -3.151 1.00 0.00 N ATOM 327 CA GLU A 25 1.143 -15.421 -3.412 1.00 0.00 C ATOM 328 C GLU A 25 1.280 -15.765 -4.892 1.00 0.00 C ATOM 329 O GLU A 25 2.379 -15.749 -5.444 1.00 0.00 O ATOM 330 CB GLU A 25 1.249 -16.693 -2.569 1.00 0.00 C ATOM 331 CG GLU A 25 0.277 -17.783 -2.986 1.00 0.00 C ATOM 332 CD GLU A 25 0.617 -19.131 -2.380 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.581 -19.768 -2.854 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.081 -19.549 -1.433 1.00 0.00 O ATOM 0 H GLU A 25 -0.609 -15.065 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 25 1.952 -14.744 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.266 -17.080 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.072 -16.441 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.732 -17.499 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.276 -17.867 -4.073 1.00 0.00 H new ATOM 341 N ASN A 26 0.155 -16.078 -5.528 1.00 0.00 N ATOM 342 CA ASN A 26 0.150 -16.428 -6.943 1.00 0.00 C ATOM 343 C ASN A 26 0.007 -15.181 -7.811 1.00 0.00 C ATOM 344 O ASN A 26 -0.681 -15.198 -8.832 1.00 0.00 O ATOM 345 CB ASN A 26 -0.989 -17.405 -7.244 1.00 0.00 C ATOM 346 CG ASN A 26 -0.947 -17.920 -8.670 1.00 0.00 C ATOM 347 OD1 ASN A 26 0.123 -18.209 -9.206 1.00 0.00 O ATOM 348 ND2 ASN A 26 -2.115 -18.038 -9.291 1.00 0.00 N ATOM 0 H ASN A 26 -0.764 -16.096 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 26 1.101 -16.906 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.933 -18.247 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.944 -16.911 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.150 -18.380 -10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.977 -17.787 -8.808 1.00 0.00 H new ATOM 355 N SER A 27 0.663 -14.101 -7.399 1.00 0.00 N ATOM 356 CA SER A 27 0.607 -12.844 -8.136 1.00 0.00 C ATOM 357 C SER A 27 1.714 -12.779 -9.184 1.00 0.00 C ATOM 358 O SER A 27 2.898 -12.739 -8.850 1.00 0.00 O ATOM 359 CB SER A 27 0.727 -11.659 -7.176 1.00 0.00 C ATOM 360 OG SER A 27 -0.530 -11.332 -6.610 1.00 0.00 O ATOM 0 H SER A 27 1.240 -14.071 -6.558 1.00 0.00 H new ATOM 0 HA SER A 27 -0.355 -12.793 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.435 -11.900 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.126 -10.795 -7.708 1.00 0.00 H new ATOM 0 HG SER A 27 -0.677 -11.873 -5.806 1.00 0.00 H new ATOM 366 N ALA A 28 1.320 -12.770 -10.453 1.00 0.00 N ATOM 367 CA ALA A 28 2.277 -12.708 -11.550 1.00 0.00 C ATOM 368 C ALA A 28 3.220 -11.520 -11.390 1.00 0.00 C ATOM 369 O ALA A 28 2.954 -10.584 -10.636 1.00 0.00 O ATOM 370 CB ALA A 28 1.548 -12.630 -12.883 1.00 0.00 C ATOM 0 H ALA A 28 0.344 -12.805 -10.747 1.00 0.00 H new ATOM 0 HA ALA A 28 2.876 -13.619 -11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.275 -12.584 -13.693 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.921 -13.513 -13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.924 -11.737 -12.905 1.00 0.00 H new ATOM 376 N PRO A 29 4.348 -11.557 -12.114 1.00 0.00 N ATOM 377 CA PRO A 29 5.353 -10.491 -12.068 1.00 0.00 C ATOM 378 C PRO A 29 4.862 -9.203 -12.720 1.00 0.00 C ATOM 379 O PRO A 29 5.201 -8.906 -13.864 1.00 0.00 O ATOM 380 CB PRO A 29 6.527 -11.076 -12.858 1.00 0.00 C ATOM 381 CG PRO A 29 5.907 -12.073 -13.776 1.00 0.00 C ATOM 382 CD PRO A 29 4.730 -12.643 -13.033 1.00 0.00 C ATOM 0 HA PRO A 29 5.606 -10.213 -11.045 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.055 -10.301 -13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.254 -11.546 -12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.590 -11.603 -14.707 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.618 -12.856 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.915 -12.902 -13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.997 -13.551 -12.493 1.00 0.00 H new ATOM 390 N GLY A 30 4.060 -8.440 -11.982 1.00 0.00 N ATOM 391 CA GLY A 30 3.535 -7.193 -12.505 1.00 0.00 C ATOM 392 C GLY A 30 2.206 -6.816 -11.882 1.00 0.00 C ATOM 393 O GLY A 30 1.735 -5.689 -12.036 1.00 0.00 O ATOM 0 H GLY A 30 3.765 -8.664 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.256 -6.395 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.415 -7.278 -13.585 1.00 0.00 H new ATOM 397 N THR A 31 1.595 -7.763 -11.176 1.00 0.00 N ATOM 398 CA THR A 31 0.311 -7.527 -10.530 1.00 0.00 C ATOM 399 C THR A 31 0.359 -6.283 -9.649 1.00 0.00 C ATOM 400 O THR A 31 1.263 -6.105 -8.833 1.00 0.00 O ATOM 401 CB THR A 31 -0.117 -8.733 -9.672 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.306 -9.883 -10.503 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.402 -8.430 -8.916 1.00 0.00 C ATOM 0 H THR A 31 1.970 -8.701 -11.038 1.00 0.00 H new ATOM 0 HA THR A 31 -0.420 -7.378 -11.325 1.00 0.00 H new ATOM 0 HB THR A 31 0.673 -8.935 -8.948 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.576 -10.645 -9.950 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.685 -9.296 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.246 -7.572 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.198 -8.205 -9.626 1.00 0.00 H new ATOM 411 N PRO A 32 -0.638 -5.401 -9.816 1.00 0.00 N ATOM 412 CA PRO A 32 -0.732 -4.158 -9.044 1.00 0.00 C ATOM 413 C PRO A 32 -1.068 -4.410 -7.578 1.00 0.00 C ATOM 414 O PRO A 32 -2.093 -5.016 -7.263 1.00 0.00 O ATOM 415 CB PRO A 32 -1.869 -3.399 -9.731 1.00 0.00 C ATOM 416 CG PRO A 32 -2.703 -4.458 -10.366 1.00 0.00 C ATOM 417 CD PRO A 32 -1.749 -5.548 -10.770 1.00 0.00 C ATOM 0 HA PRO A 32 0.213 -3.615 -9.029 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.447 -2.817 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.486 -2.699 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.453 -4.834 -9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.238 -4.067 -11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.211 -6.533 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.413 -5.426 -11.800 1.00 0.00 H new ATOM 425 N ILE A 33 -0.201 -3.942 -6.687 1.00 0.00 N ATOM 426 CA ILE A 33 -0.409 -4.116 -5.255 1.00 0.00 C ATOM 427 C ILE A 33 -1.244 -2.978 -4.679 1.00 0.00 C ATOM 428 O ILE A 33 -2.351 -3.194 -4.185 1.00 0.00 O ATOM 429 CB ILE A 33 0.930 -4.190 -4.497 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.796 -5.320 -5.058 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.686 -4.392 -3.009 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.265 -5.179 -4.722 1.00 0.00 C ATOM 0 H ILE A 33 0.652 -3.439 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.943 -5.057 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 33 1.461 -3.248 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.433 -6.272 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.681 -5.352 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.642 -4.442 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.103 -3.557 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.138 -5.321 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.818 -6.014 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.644 -4.243 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.392 -5.178 -3.639 1.00 0.00 H new ATOM 444 N LEU A 34 -0.707 -1.764 -4.746 1.00 0.00 N ATOM 445 CA LEU A 34 -1.403 -0.590 -4.232 1.00 0.00 C ATOM 446 C LEU A 34 -0.697 0.693 -4.661 1.00 0.00 C ATOM 447 O LEU A 34 0.322 0.650 -5.350 1.00 0.00 O ATOM 448 CB LEU A 34 -1.491 -0.652 -2.706 1.00 0.00 C ATOM 449 CG LEU A 34 -0.160 -0.760 -1.961 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.445 0.618 -1.746 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.350 -1.475 -0.631 1.00 0.00 C ATOM 0 H LEU A 34 0.208 -1.568 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.411 -0.585 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.009 0.240 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.108 -1.508 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 34 0.529 -1.345 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.392 0.521 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.618 1.094 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.240 1.229 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.607 -1.543 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.056 -0.917 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.738 -2.478 -0.809 1.00 0.00 H new ATOM 463 N GLN A 35 -1.244 1.830 -4.246 1.00 0.00 N ATOM 464 CA GLN A 35 -0.665 3.125 -4.586 1.00 0.00 C ATOM 465 C GLN A 35 -0.270 3.892 -3.328 1.00 0.00 C ATOM 466 O GLN A 35 -1.077 4.063 -2.414 1.00 0.00 O ATOM 467 CB GLN A 35 -1.655 3.949 -5.410 1.00 0.00 C ATOM 468 CG GLN A 35 -1.255 5.408 -5.561 1.00 0.00 C ATOM 469 CD GLN A 35 -0.212 5.618 -6.641 1.00 0.00 C ATOM 470 OE1 GLN A 35 0.823 6.242 -6.407 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.480 5.096 -7.832 1.00 0.00 N ATOM 0 H GLN A 35 -2.087 1.882 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 35 0.233 2.949 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.751 3.503 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.637 3.897 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.139 6.001 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.867 5.775 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.351 4.586 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.185 5.205 -8.598 1.00 0.00 H new ATOM 480 N LEU A 36 0.976 4.350 -3.288 1.00 0.00 N ATOM 481 CA LEU A 36 1.479 5.099 -2.142 1.00 0.00 C ATOM 482 C LEU A 36 1.202 6.590 -2.302 1.00 0.00 C ATOM 483 O LEU A 36 1.454 7.169 -3.359 1.00 0.00 O ATOM 484 CB LEU A 36 2.981 4.863 -1.973 1.00 0.00 C ATOM 485 CG LEU A 36 3.380 3.634 -1.156 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.531 2.419 -2.059 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.670 3.897 -0.392 1.00 0.00 C ATOM 0 H LEU A 36 1.657 4.216 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 36 0.959 4.745 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.429 4.777 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.416 5.744 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 36 2.589 3.429 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.815 1.554 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.584 2.218 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.302 2.613 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.939 3.011 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.469 4.128 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.527 4.740 0.284 1.00 0.00 H new ATOM 499 N ARG A 37 0.684 7.207 -1.244 1.00 0.00 N ATOM 500 CA ARG A 37 0.373 8.631 -1.267 1.00 0.00 C ATOM 501 C ARG A 37 0.798 9.301 0.037 1.00 0.00 C ATOM 502 O ARG A 37 1.055 8.630 1.036 1.00 0.00 O ATOM 503 CB ARG A 37 -1.123 8.845 -1.499 1.00 0.00 C ATOM 504 CG ARG A 37 -1.523 8.816 -2.965 1.00 0.00 C ATOM 505 CD ARG A 37 -0.967 10.014 -3.718 1.00 0.00 C ATOM 506 NE ARG A 37 -1.436 11.279 -3.158 1.00 0.00 N ATOM 507 CZ ARG A 37 -2.589 11.848 -3.493 1.00 0.00 C ATOM 508 NH1 ARG A 37 -3.385 11.267 -4.380 1.00 0.00 N ATOM 509 NH2 ARG A 37 -2.947 12.999 -2.940 1.00 0.00 N ATOM 0 H ARG A 37 0.471 6.743 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 37 0.929 9.085 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.679 8.075 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.415 9.804 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.161 7.896 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.610 8.806 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.122 9.987 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.260 9.951 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.846 11.751 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.113 10.381 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.270 11.706 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.337 13.448 -2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.832 13.435 -3.198 1.00 0.00 H new ATOM 697 N TYR A 51 8.407 8.454 -4.235 1.00 0.00 N ATOM 698 CA TYR A 51 8.129 7.216 -3.515 1.00 0.00 C ATOM 699 C TYR A 51 9.172 6.151 -3.838 1.00 0.00 C ATOM 700 O TYR A 51 8.955 5.292 -4.692 1.00 0.00 O ATOM 701 CB TYR A 51 6.732 6.701 -3.866 1.00 0.00 C ATOM 702 CG TYR A 51 5.666 7.773 -3.836 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.216 8.301 -2.633 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.109 8.259 -5.013 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.242 9.279 -2.601 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.136 9.238 -4.992 1.00 0.00 C ATOM 707 CZ TYR A 51 3.705 9.745 -3.783 1.00 0.00 C ATOM 708 OH TYR A 51 2.735 10.721 -3.756 1.00 0.00 O ATOM 0 HA TYR A 51 8.173 7.429 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.758 6.254 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.460 5.910 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.636 7.940 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.443 7.864 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.903 9.677 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.715 9.605 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 51 2.464 10.938 -4.672 1.00 0.00 H new ATOM 718 N VAL A 52 10.307 6.215 -3.148 1.00 0.00 N ATOM 719 CA VAL A 52 11.385 5.256 -3.359 1.00 0.00 C ATOM 720 C VAL A 52 11.410 4.207 -2.254 1.00 0.00 C ATOM 721 O VAL A 52 10.623 4.265 -1.309 1.00 0.00 O ATOM 722 CB VAL A 52 12.755 5.956 -3.419 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.845 6.849 -4.647 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.000 6.757 -2.149 1.00 0.00 C ATOM 0 H VAL A 52 10.503 6.921 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 52 11.193 4.768 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 52 13.530 5.193 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.820 7.335 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.717 6.246 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.063 7.607 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.973 7.245 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.221 7.512 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.982 6.089 -1.288 1.00 0.00 H new ATOM 734 N PHE A 53 12.321 3.247 -2.378 1.00 0.00 N ATOM 735 CA PHE A 53 12.450 2.183 -1.389 1.00 0.00 C ATOM 736 C PHE A 53 13.446 2.570 -0.300 1.00 0.00 C ATOM 737 O PHE A 53 14.649 2.651 -0.544 1.00 0.00 O ATOM 738 CB PHE A 53 12.894 0.883 -2.063 1.00 0.00 C ATOM 739 CG PHE A 53 11.751 0.029 -2.531 1.00 0.00 C ATOM 740 CD1 PHE A 53 10.785 -0.409 -1.639 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.642 -0.337 -3.863 1.00 0.00 C ATOM 742 CE1 PHE A 53 9.731 -1.194 -2.066 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.590 -1.122 -4.296 1.00 0.00 C ATOM 744 CZ PHE A 53 9.634 -1.552 -3.397 1.00 0.00 C ATOM 0 H PHE A 53 12.981 3.184 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 53 11.475 2.030 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.530 1.124 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.502 0.310 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.857 -0.133 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.387 -0.005 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.984 -1.527 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.516 -1.399 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.812 -2.167 -3.734 1.00 0.00 H new ATOM 754 N GLY A 54 12.934 2.809 0.904 1.00 0.00 N ATOM 755 CA GLY A 54 13.791 3.186 2.013 1.00 0.00 C ATOM 756 C GLY A 54 14.727 2.068 2.428 1.00 0.00 C ATOM 757 O GLY A 54 15.847 1.969 1.927 1.00 0.00 O ATOM 0 H GLY A 54 11.941 2.748 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.377 4.062 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.174 3.474 2.864 1.00 0.00 H new ATOM 761 N ALA A 55 14.269 1.225 3.347 1.00 0.00 N ATOM 762 CA ALA A 55 15.074 0.109 3.829 1.00 0.00 C ATOM 763 C ALA A 55 14.529 -1.221 3.320 1.00 0.00 C ATOM 764 O ALA A 55 14.371 -2.172 4.084 1.00 0.00 O ATOM 765 CB ALA A 55 15.124 0.113 5.350 1.00 0.00 C ATOM 0 H ALA A 55 13.345 1.293 3.773 1.00 0.00 H new ATOM 0 HA ALA A 55 16.086 0.229 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.728 -0.725 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.566 1.047 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.113 0.020 5.748 1.00 0.00 H new ATOM 771 N ALA A 56 14.243 -1.280 2.023 1.00 0.00 N ATOM 772 CA ALA A 56 13.717 -2.494 1.411 1.00 0.00 C ATOM 773 C ALA A 56 14.843 -3.367 0.869 1.00 0.00 C ATOM 774 O ALA A 56 15.507 -3.010 -0.104 1.00 0.00 O ATOM 775 CB ALA A 56 12.737 -2.144 0.301 1.00 0.00 C ATOM 0 H ALA A 56 14.367 -0.501 1.376 1.00 0.00 H new ATOM 0 HA ALA A 56 13.191 -3.060 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.352 -3.060 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.910 -1.567 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.246 -1.554 -0.461 1.00 0.00 H new ATOM 781 N THR A 57 15.053 -4.515 1.506 1.00 0.00 N ATOM 782 CA THR A 57 16.100 -5.439 1.089 1.00 0.00 C ATOM 783 C THR A 57 16.108 -5.615 -0.425 1.00 0.00 C ATOM 784 O THR A 57 15.077 -5.470 -1.081 1.00 0.00 O ATOM 785 CB THR A 57 15.930 -6.819 1.753 1.00 0.00 C ATOM 786 OG1 THR A 57 16.630 -7.815 1.000 1.00 0.00 O ATOM 787 CG2 THR A 57 14.459 -7.193 1.854 1.00 0.00 C ATOM 0 H THR A 57 14.512 -4.827 2.312 1.00 0.00 H new ATOM 0 HA THR A 57 17.048 -5.005 1.407 1.00 0.00 H new ATOM 0 HB THR A 57 16.345 -6.767 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.591 -7.624 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.364 -8.171 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.935 -6.448 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.023 -7.228 0.856 1.00 0.00 H new ATOM 795 N GLU A 58 17.277 -5.928 -0.975 1.00 0.00 N ATOM 796 CA GLU A 58 17.417 -6.123 -2.413 1.00 0.00 C ATOM 797 C GLU A 58 16.402 -7.141 -2.925 1.00 0.00 C ATOM 798 O GLU A 58 16.060 -7.151 -4.108 1.00 0.00 O ATOM 799 CB GLU A 58 18.835 -6.587 -2.751 1.00 0.00 C ATOM 800 CG GLU A 58 19.247 -7.861 -2.033 1.00 0.00 C ATOM 801 CD GLU A 58 19.678 -7.610 -0.601 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.348 -6.585 -0.355 1.00 0.00 O ATOM 803 OE2 GLU A 58 19.346 -8.437 0.273 1.00 0.00 O ATOM 0 H GLU A 58 18.141 -6.052 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 58 17.228 -5.168 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.909 -6.746 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.538 -5.794 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.413 -8.563 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 58 20.065 -8.332 -2.578 1.00 0.00 H new ATOM 810 N SER A 59 15.924 -7.995 -2.026 1.00 0.00 N ATOM 811 CA SER A 59 14.951 -9.020 -2.388 1.00 0.00 C ATOM 812 C SER A 59 13.566 -8.409 -2.580 1.00 0.00 C ATOM 813 O SER A 59 12.781 -8.871 -3.409 1.00 0.00 O ATOM 814 CB SER A 59 14.897 -10.104 -1.310 1.00 0.00 C ATOM 815 OG SER A 59 14.228 -9.640 -0.151 1.00 0.00 O ATOM 0 H SER A 59 16.194 -7.998 -1.042 1.00 0.00 H new ATOM 0 HA SER A 59 15.265 -9.469 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.386 -10.984 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.909 -10.413 -1.050 1.00 0.00 H new ATOM 0 HG SER A 59 14.206 -10.353 0.521 1.00 0.00 H new ATOM 821 N VAL A 60 13.272 -7.369 -1.807 1.00 0.00 N ATOM 822 CA VAL A 60 11.982 -6.693 -1.892 1.00 0.00 C ATOM 823 C VAL A 60 11.894 -5.834 -3.149 1.00 0.00 C ATOM 824 O VAL A 60 10.880 -5.840 -3.847 1.00 0.00 O ATOM 825 CB VAL A 60 11.731 -5.807 -0.658 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.613 -4.813 -0.934 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.406 -6.664 0.556 1.00 0.00 C ATOM 0 H VAL A 60 13.909 -6.976 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 60 11.219 -7.470 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 60 12.640 -5.245 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.449 -4.195 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.890 -4.178 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.697 -5.353 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.232 -6.021 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.511 -7.254 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.242 -7.332 0.764 1.00 0.00 H new ATOM 837 N ARG A 61 12.962 -5.096 -3.431 1.00 0.00 N ATOM 838 CA ARG A 61 13.005 -4.230 -4.603 1.00 0.00 C ATOM 839 C ARG A 61 13.004 -5.054 -5.887 1.00 0.00 C ATOM 840 O ARG A 61 12.415 -4.655 -6.892 1.00 0.00 O ATOM 841 CB ARG A 61 14.247 -3.337 -4.558 1.00 0.00 C ATOM 842 CG ARG A 61 15.555 -4.111 -4.583 1.00 0.00 C ATOM 843 CD ARG A 61 16.735 -3.221 -4.226 1.00 0.00 C ATOM 844 NE ARG A 61 18.008 -3.810 -4.634 1.00 0.00 N ATOM 845 CZ ARG A 61 19.110 -3.100 -4.849 1.00 0.00 C ATOM 846 NH1 ARG A 61 19.096 -1.784 -4.694 1.00 0.00 N ATOM 847 NH2 ARG A 61 20.230 -3.708 -5.218 1.00 0.00 N ATOM 0 H ARG A 61 13.810 -5.080 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 61 12.114 -3.602 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.223 -2.653 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.213 -2.727 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.500 -4.943 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.707 -4.539 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.615 -2.250 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.745 -3.046 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 61 18.053 -4.821 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.237 -1.313 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.944 -1.242 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.245 -4.721 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.076 -3.162 -5.383 1.00 0.00 H new ATOM 861 N ARG A 62 13.667 -6.205 -5.847 1.00 0.00 N ATOM 862 CA ARG A 62 13.744 -7.084 -7.007 1.00 0.00 C ATOM 863 C ARG A 62 12.458 -7.891 -7.165 1.00 0.00 C ATOM 864 O ARG A 62 12.051 -8.219 -8.280 1.00 0.00 O ATOM 865 CB ARG A 62 14.940 -8.030 -6.880 1.00 0.00 C ATOM 866 CG ARG A 62 14.611 -9.335 -6.175 1.00 0.00 C ATOM 867 CD ARG A 62 15.838 -10.225 -6.048 1.00 0.00 C ATOM 868 NE ARG A 62 15.651 -11.276 -5.052 1.00 0.00 N ATOM 869 CZ ARG A 62 16.654 -11.945 -4.493 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.907 -11.673 -4.831 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.404 -12.888 -3.594 1.00 0.00 N ATOM 0 H ARG A 62 14.159 -6.551 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 62 13.874 -6.463 -7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.325 -8.251 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.737 -7.524 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.210 -9.123 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.833 -9.862 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.059 -10.677 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.700 -9.617 -5.776 1.00 0.00 H new ATOM 0 HE ARG A 62 14.699 -11.509 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.103 -10.949 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.675 -12.188 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.441 -13.100 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.174 -13.401 -3.165 1.00 0.00 H new ATOM 885 N LEU A 63 11.824 -8.207 -6.041 1.00 0.00 N ATOM 886 CA LEU A 63 10.584 -8.976 -6.053 1.00 0.00 C ATOM 887 C LEU A 63 9.378 -8.061 -6.239 1.00 0.00 C ATOM 888 O LEU A 63 8.314 -8.500 -6.678 1.00 0.00 O ATOM 889 CB LEU A 63 10.441 -9.770 -4.754 1.00 0.00 C ATOM 890 CG LEU A 63 9.068 -10.392 -4.495 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.769 -11.473 -5.521 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.996 -10.958 -3.084 1.00 0.00 C ATOM 0 H LEU A 63 12.148 -7.943 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 63 10.623 -9.670 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.184 -10.567 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.682 -9.111 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 63 8.313 -9.611 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.788 -11.904 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.777 -11.038 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.527 -12.253 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.012 -11.396 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.761 -11.725 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.164 -10.159 -2.362 1.00 0.00 H new ATOM 904 N LEU A 64 9.551 -6.787 -5.905 1.00 0.00 N ATOM 905 CA LEU A 64 8.477 -5.809 -6.037 1.00 0.00 C ATOM 906 C LEU A 64 8.995 -4.511 -6.648 1.00 0.00 C ATOM 907 O LEU A 64 10.042 -4.000 -6.250 1.00 0.00 O ATOM 908 CB LEU A 64 7.846 -5.527 -4.672 1.00 0.00 C ATOM 909 CG LEU A 64 7.374 -6.751 -3.886 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.465 -6.492 -2.390 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.951 -7.120 -4.279 1.00 0.00 C ATOM 0 H LEU A 64 10.425 -6.407 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 64 7.720 -6.225 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.571 -4.987 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.994 -4.863 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 64 8.027 -7.589 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.125 -7.374 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.499 -6.276 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.836 -5.641 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.631 -7.993 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.286 -6.284 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.915 -7.348 -5.344 1.00 0.00 H new ATOM 923 N ARG A 65 8.254 -3.981 -7.615 1.00 0.00 N ATOM 924 CA ARG A 65 8.638 -2.742 -8.281 1.00 0.00 C ATOM 925 C ARG A 65 7.852 -1.559 -7.722 1.00 0.00 C ATOM 926 O ARG A 65 6.671 -1.683 -7.395 1.00 0.00 O ATOM 927 CB ARG A 65 8.407 -2.855 -9.789 1.00 0.00 C ATOM 928 CG ARG A 65 8.996 -1.701 -10.583 1.00 0.00 C ATOM 929 CD ARG A 65 10.507 -1.821 -10.704 1.00 0.00 C ATOM 930 NE ARG A 65 11.130 -0.552 -11.071 1.00 0.00 N ATOM 931 CZ ARG A 65 12.407 -0.267 -10.841 1.00 0.00 C ATOM 932 NH1 ARG A 65 13.192 -1.156 -10.249 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.900 0.910 -11.204 1.00 0.00 N ATOM 0 H ARG A 65 7.384 -4.390 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 65 9.699 -2.572 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.841 -3.789 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.335 -2.908 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.551 -1.678 -11.578 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.743 -0.758 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.920 -2.167 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.752 -2.575 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 65 10.553 0.154 -11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.816 -2.062 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.172 -0.934 -10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.299 1.596 -11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.880 1.129 -11.027 1.00 0.00 H new ATOM 947 N LEU A 66 8.515 -0.413 -7.616 1.00 0.00 N ATOM 948 CA LEU A 66 7.879 0.793 -7.096 1.00 0.00 C ATOM 949 C LEU A 66 8.206 2.000 -7.970 1.00 0.00 C ATOM 950 O LEU A 66 9.273 2.067 -8.579 1.00 0.00 O ATOM 951 CB LEU A 66 8.331 1.053 -5.658 1.00 0.00 C ATOM 952 CG LEU A 66 7.977 2.423 -5.080 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.487 2.509 -4.785 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.788 2.698 -3.822 1.00 0.00 C ATOM 0 H LEU A 66 9.492 -0.293 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 66 6.800 0.639 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.894 0.287 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.413 0.930 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 66 8.225 3.183 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.254 3.491 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.924 2.358 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.214 1.739 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.522 3.678 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.572 1.933 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.851 2.680 -4.063 1.00 0.00 H new ATOM 966 N ASP A 67 7.281 2.952 -8.023 1.00 0.00 N ATOM 967 CA ASP A 67 7.472 4.159 -8.819 1.00 0.00 C ATOM 968 C ASP A 67 7.667 5.377 -7.922 1.00 0.00 C ATOM 969 O ASP A 67 7.483 5.300 -6.707 1.00 0.00 O ATOM 970 CB ASP A 67 6.275 4.380 -9.745 1.00 0.00 C ATOM 971 CG ASP A 67 6.649 5.137 -11.005 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.735 6.381 -10.946 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.856 4.484 -12.049 1.00 0.00 O ATOM 0 H ASP A 67 6.392 2.911 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 67 8.370 4.027 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.847 3.415 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.502 4.931 -9.209 1.00 0.00 H new ATOM 978 N GLU A 68 8.043 6.499 -8.528 1.00 0.00 N ATOM 979 CA GLU A 68 8.265 7.732 -7.782 1.00 0.00 C ATOM 980 C GLU A 68 7.393 8.861 -8.325 1.00 0.00 C ATOM 981 O GLU A 68 6.911 9.707 -7.571 1.00 0.00 O ATOM 982 CB GLU A 68 9.739 8.135 -7.847 1.00 0.00 C ATOM 983 CG GLU A 68 10.687 6.956 -7.991 1.00 0.00 C ATOM 984 CD GLU A 68 10.934 6.580 -9.439 1.00 0.00 C ATOM 985 OE1 GLU A 68 11.241 7.485 -10.243 1.00 0.00 O ATOM 986 OE2 GLU A 68 10.821 5.380 -9.768 1.00 0.00 O ATOM 0 H GLU A 68 8.200 6.579 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 68 7.991 7.552 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.885 8.812 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.996 8.689 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.637 7.198 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.275 6.097 -7.461 1.00 0.00 H new ATOM 993 N THR A 69 7.195 8.868 -9.640 1.00 0.00 N ATOM 994 CA THR A 69 6.383 9.892 -10.285 1.00 0.00 C ATOM 995 C THR A 69 4.899 9.556 -10.195 1.00 0.00 C ATOM 996 O THR A 69 4.055 10.447 -10.105 1.00 0.00 O ATOM 997 CB THR A 69 6.770 10.065 -11.766 1.00 0.00 C ATOM 998 OG1 THR A 69 5.749 10.794 -12.457 1.00 0.00 O ATOM 999 CG2 THR A 69 6.974 8.713 -12.433 1.00 0.00 C ATOM 0 H THR A 69 7.586 8.176 -10.279 1.00 0.00 H new ATOM 0 HA THR A 69 6.573 10.826 -9.756 1.00 0.00 H new ATOM 0 HB THR A 69 7.707 10.620 -11.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.003 10.901 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.247 8.860 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.771 8.172 -11.923 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.051 8.136 -12.377 1.00 0.00 H new ATOM 1007 N SER A 70 4.588 8.264 -10.219 1.00 0.00 N ATOM 1008 CA SER A 70 3.204 7.810 -10.143 1.00 0.00 C ATOM 1009 C SER A 70 2.877 7.294 -8.744 1.00 0.00 C ATOM 1010 O SER A 70 1.763 7.464 -8.252 1.00 0.00 O ATOM 1011 CB SER A 70 2.948 6.712 -11.177 1.00 0.00 C ATOM 1012 OG SER A 70 3.417 5.457 -10.715 1.00 0.00 O ATOM 0 H SER A 70 5.275 7.513 -10.290 1.00 0.00 H new ATOM 0 HA SER A 70 2.556 8.660 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.881 6.649 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.444 6.967 -12.113 1.00 0.00 H new ATOM 0 HG SER A 70 3.240 4.772 -11.393 1.00 0.00 H new ATOM 1018 N GLY A 71 3.860 6.661 -8.109 1.00 0.00 N ATOM 1019 CA GLY A 71 3.658 6.129 -6.774 1.00 0.00 C ATOM 1020 C GLY A 71 2.925 4.803 -6.783 1.00 0.00 C ATOM 1021 O GLY A 71 2.387 4.376 -5.761 1.00 0.00 O ATOM 0 H GLY A 71 4.791 6.508 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.625 6.003 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.093 6.849 -6.181 1.00 0.00 H new ATOM 1025 N TRP A 72 2.902 4.149 -7.939 1.00 0.00 N ATOM 1026 CA TRP A 72 2.227 2.864 -8.077 1.00 0.00 C ATOM 1027 C TRP A 72 3.122 1.725 -7.602 1.00 0.00 C ATOM 1028 O TRP A 72 4.321 1.704 -7.887 1.00 0.00 O ATOM 1029 CB TRP A 72 1.816 2.633 -9.533 1.00 0.00 C ATOM 1030 CG TRP A 72 0.442 3.141 -9.850 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.127 4.250 -10.582 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.801 2.560 -9.443 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.238 4.393 -10.655 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.830 3.368 -9.965 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.146 1.434 -8.690 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.177 3.085 -9.756 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.483 1.155 -8.483 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.486 1.977 -9.015 1.00 0.00 C ATOM 0 H TRP A 72 3.343 4.488 -8.794 1.00 0.00 H new ATOM 0 HA TRP A 72 1.333 2.883 -7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.537 3.122 -10.188 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.860 1.566 -9.751 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.845 4.917 -11.037 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.730 5.141 -11.144 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.381 0.793 -8.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.951 3.718 -10.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.760 0.288 -7.901 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.522 1.731 -8.837 1.00 0.00 H new ATOM 1049 N LEU A 73 2.535 0.779 -6.877 1.00 0.00 N ATOM 1050 CA LEU A 73 3.281 -0.364 -6.363 1.00 0.00 C ATOM 1051 C LEU A 73 2.745 -1.669 -6.943 1.00 0.00 C ATOM 1052 O LEU A 73 1.547 -1.944 -6.877 1.00 0.00 O ATOM 1053 CB LEU A 73 3.205 -0.402 -4.835 1.00 0.00 C ATOM 1054 CG LEU A 73 4.110 -1.422 -4.143 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.573 -1.096 -4.398 1.00 0.00 C ATOM 1056 CD2 LEU A 73 3.823 -1.463 -2.650 1.00 0.00 C ATOM 0 H LEU A 73 1.545 0.781 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 73 4.322 -0.254 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.451 0.589 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.174 -0.607 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 73 3.901 -2.407 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.202 -1.832 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.769 -1.119 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.798 -0.103 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.476 -2.194 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.004 -0.479 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.783 -1.745 -2.487 1.00 0.00 H new ATOM 1068 N SER A 74 3.642 -2.471 -7.508 1.00 0.00 N ATOM 1069 CA SER A 74 3.259 -3.747 -8.101 1.00 0.00 C ATOM 1070 C SER A 74 4.395 -4.760 -7.990 1.00 0.00 C ATOM 1071 O SER A 74 5.507 -4.421 -7.584 1.00 0.00 O ATOM 1072 CB SER A 74 2.873 -3.556 -9.569 1.00 0.00 C ATOM 1073 OG SER A 74 4.011 -3.274 -10.364 1.00 0.00 O ATOM 0 H SER A 74 4.638 -2.260 -7.568 1.00 0.00 H new ATOM 0 HA SER A 74 2.398 -4.130 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.381 -4.456 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.154 -2.741 -9.656 1.00 0.00 H new ATOM 0 HG SER A 74 3.737 -3.158 -11.298 1.00 0.00 H new ATOM 1079 N VAL A 75 4.107 -6.005 -8.355 1.00 0.00 N ATOM 1080 CA VAL A 75 5.103 -7.069 -8.298 1.00 0.00 C ATOM 1081 C VAL A 75 6.027 -7.021 -9.510 1.00 0.00 C ATOM 1082 O VAL A 75 5.638 -6.558 -10.583 1.00 0.00 O ATOM 1083 CB VAL A 75 4.438 -8.457 -8.227 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.493 -9.552 -8.179 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.514 -8.543 -7.022 1.00 0.00 C ATOM 0 H VAL A 75 3.192 -6.302 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 75 5.688 -6.908 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 75 3.839 -8.601 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.005 -10.525 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.111 -9.501 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.120 -9.415 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.053 -9.530 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.089 -8.379 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.738 -7.782 -7.104 1.00 0.00 H new ATOM 1095 N LEU A 76 7.252 -7.503 -9.331 1.00 0.00 N ATOM 1096 CA LEU A 76 8.233 -7.517 -10.411 1.00 0.00 C ATOM 1097 C LEU A 76 8.602 -8.947 -10.793 1.00 0.00 C ATOM 1098 O LEU A 76 8.795 -9.256 -11.970 1.00 0.00 O ATOM 1099 CB LEU A 76 9.488 -6.748 -9.995 1.00 0.00 C ATOM 1100 CG LEU A 76 10.524 -6.510 -11.094 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.967 -5.577 -12.159 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.807 -5.943 -10.504 1.00 0.00 C ATOM 0 H LEU A 76 7.590 -7.889 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 76 7.788 -7.032 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.182 -5.781 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.969 -7.290 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 76 10.755 -7.467 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.718 -5.419 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.076 -6.022 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.707 -4.621 -11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.533 -5.780 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.592 -4.996 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.216 -6.647 -9.779 1.00 0.00 H new ATOM 1114 N HIS A 77 8.696 -9.816 -9.792 1.00 0.00 N ATOM 1115 CA HIS A 77 9.039 -11.215 -10.024 1.00 0.00 C ATOM 1116 C HIS A 77 8.073 -12.140 -9.289 1.00 0.00 C ATOM 1117 O HIS A 77 7.589 -11.813 -8.205 1.00 0.00 O ATOM 1118 CB HIS A 77 10.473 -11.492 -9.571 1.00 0.00 C ATOM 1119 CG HIS A 77 11.507 -11.069 -10.568 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.479 -11.454 -11.892 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.604 -10.289 -10.428 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.514 -10.929 -12.523 1.00 0.00 C ATOM 1123 NE2 HIS A 77 13.213 -10.218 -11.657 1.00 0.00 N ATOM 0 H HIS A 77 8.540 -9.577 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 77 8.959 -11.411 -11.093 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.655 -10.974 -8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.584 -12.558 -9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.938 -9.811 -9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.749 -11.059 -13.569 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.066 -9.700 -11.867 1.00 0.00 H new ATOM 1132 N ARG A 78 7.797 -13.294 -9.887 1.00 0.00 N ATOM 1133 CA ARG A 78 6.887 -14.265 -9.290 1.00 0.00 C ATOM 1134 C ARG A 78 7.087 -14.340 -7.779 1.00 0.00 C ATOM 1135 O ARG A 78 8.209 -14.229 -7.285 1.00 0.00 O ATOM 1136 CB ARG A 78 7.102 -15.646 -9.912 1.00 0.00 C ATOM 1137 CG ARG A 78 6.445 -15.810 -11.273 1.00 0.00 C ATOM 1138 CD ARG A 78 4.994 -16.246 -11.142 1.00 0.00 C ATOM 1139 NE ARG A 78 4.862 -17.699 -11.080 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.776 -18.320 -10.634 1.00 0.00 C ATOM 1141 NH1 ARG A 78 2.732 -17.618 -10.215 1.00 0.00 N ATOM 1142 NH2 ARG A 78 3.732 -19.646 -10.608 1.00 0.00 N ATOM 0 H ARG A 78 8.190 -13.580 -10.784 1.00 0.00 H new ATOM 0 HA ARG A 78 5.866 -13.939 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.172 -15.828 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.710 -16.405 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.495 -14.868 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.996 -16.546 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.563 -15.804 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.424 -15.866 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 78 5.647 -18.268 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.762 -16.599 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.899 -18.097 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.533 -20.189 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.897 -20.122 -10.265 1.00 0.00 H new ATOM 1156 N ILE A 79 5.991 -14.527 -7.052 1.00 0.00 N ATOM 1157 CA ILE A 79 6.046 -14.617 -5.598 1.00 0.00 C ATOM 1158 C ILE A 79 5.580 -15.986 -5.113 1.00 0.00 C ATOM 1159 O ILE A 79 4.630 -16.555 -5.650 1.00 0.00 O ATOM 1160 CB ILE A 79 5.182 -13.529 -4.934 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.724 -12.139 -5.272 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.138 -13.734 -3.427 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.722 -11.028 -5.049 1.00 0.00 C ATOM 0 H ILE A 79 5.055 -14.619 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 79 7.087 -14.468 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 79 4.166 -13.606 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.609 -11.946 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.043 -12.126 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.524 -12.957 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.710 -14.712 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.149 -13.680 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.175 -10.072 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.846 -11.197 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.421 -11.014 -4.001 1.00 0.00 H new ATOM 1175 N ASP A 80 6.256 -16.508 -4.095 1.00 0.00 N ATOM 1176 CA ASP A 80 5.910 -17.810 -3.536 1.00 0.00 C ATOM 1177 C ASP A 80 5.692 -17.713 -2.029 1.00 0.00 C ATOM 1178 O ASP A 80 6.489 -17.105 -1.314 1.00 0.00 O ATOM 1179 CB ASP A 80 7.010 -18.828 -3.840 1.00 0.00 C ATOM 1180 CG ASP A 80 6.542 -20.258 -3.654 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.314 -20.477 -3.590 1.00 0.00 O ATOM 1182 OD2 ASP A 80 7.404 -21.159 -3.573 1.00 0.00 O ATOM 0 H ASP A 80 7.046 -16.050 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 80 4.981 -18.142 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.354 -18.692 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.864 -18.641 -3.190 1.00 0.00 H new ATOM 1187 N ARG A 81 4.607 -18.315 -1.553 1.00 0.00 N ATOM 1188 CA ARG A 81 4.283 -18.295 -0.132 1.00 0.00 C ATOM 1189 C ARG A 81 5.315 -19.080 0.672 1.00 0.00 C ATOM 1190 O ARG A 81 5.588 -18.760 1.829 1.00 0.00 O ATOM 1191 CB ARG A 81 2.888 -18.876 0.103 1.00 0.00 C ATOM 1192 CG ARG A 81 2.403 -18.734 1.537 1.00 0.00 C ATOM 1193 CD ARG A 81 2.803 -19.933 2.382 1.00 0.00 C ATOM 1194 NE ARG A 81 1.812 -21.004 2.317 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.697 -21.956 3.236 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.507 -21.970 4.285 1.00 0.00 N ATOM 1197 NH2 ARG A 81 0.770 -22.896 3.106 1.00 0.00 N ATOM 0 H ARG A 81 3.937 -18.823 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 81 4.298 -17.258 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.180 -18.380 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.893 -19.932 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.817 -17.825 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.318 -18.627 1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.767 -20.310 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.931 -19.620 3.418 1.00 0.00 H new ATOM 0 HE ARG A 81 1.173 -21.022 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.221 -21.249 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.417 -22.702 4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.145 -22.888 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.682 -23.627 3.812 1.00 0.00 H new ATOM 1211 N GLU A 82 5.884 -20.108 0.051 1.00 0.00 N ATOM 1212 CA GLU A 82 6.885 -20.939 0.711 1.00 0.00 C ATOM 1213 C GLU A 82 8.123 -20.121 1.067 1.00 0.00 C ATOM 1214 O GLU A 82 8.584 -20.140 2.208 1.00 0.00 O ATOM 1215 CB GLU A 82 7.278 -22.113 -0.189 1.00 0.00 C ATOM 1216 CG GLU A 82 6.198 -23.174 -0.312 1.00 0.00 C ATOM 1217 CD GLU A 82 6.411 -24.088 -1.503 1.00 0.00 C ATOM 1218 OE1 GLU A 82 6.633 -23.569 -2.617 1.00 0.00 O ATOM 1219 OE2 GLU A 82 6.356 -25.322 -1.321 1.00 0.00 O ATOM 0 H GLU A 82 5.670 -20.385 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 82 6.449 -21.326 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.518 -21.734 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.185 -22.573 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.175 -23.771 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.226 -22.689 -0.400 1.00 0.00 H new ATOM 1226 N GLU A 83 8.654 -19.403 0.083 1.00 0.00 N ATOM 1227 CA GLU A 83 9.839 -18.579 0.293 1.00 0.00 C ATOM 1228 C GLU A 83 9.550 -17.451 1.280 1.00 0.00 C ATOM 1229 O GLU A 83 10.423 -17.040 2.043 1.00 0.00 O ATOM 1230 CB GLU A 83 10.324 -17.996 -1.037 1.00 0.00 C ATOM 1231 CG GLU A 83 9.485 -16.830 -1.532 1.00 0.00 C ATOM 1232 CD GLU A 83 10.219 -15.972 -2.545 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.139 -16.282 -3.752 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.873 -14.992 -2.131 1.00 0.00 O ATOM 0 H GLU A 83 8.283 -19.375 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 83 10.621 -19.213 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.357 -17.667 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.320 -18.782 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.568 -17.212 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.191 -16.212 -0.683 1.00 0.00 H new ATOM 1241 N VAL A 84 8.316 -16.955 1.258 1.00 0.00 N ATOM 1242 CA VAL A 84 7.910 -15.876 2.150 1.00 0.00 C ATOM 1243 C VAL A 84 6.428 -15.976 2.494 1.00 0.00 C ATOM 1244 O VAL A 84 5.592 -16.203 1.621 1.00 0.00 O ATOM 1245 CB VAL A 84 8.190 -14.496 1.526 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.684 -14.296 1.319 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.437 -14.344 0.213 1.00 0.00 C ATOM 0 H VAL A 84 7.581 -17.284 0.632 1.00 0.00 H new ATOM 0 HA VAL A 84 8.499 -15.980 3.061 1.00 0.00 H new ATOM 0 HB VAL A 84 7.837 -13.727 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.862 -13.316 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.196 -14.360 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.066 -15.069 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.646 -13.363 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.758 -15.119 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.366 -14.440 0.394 1.00 0.00 H new ATOM 1257 N ASN A 85 6.110 -15.802 3.772 1.00 0.00 N ATOM 1258 CA ASN A 85 4.728 -15.872 4.233 1.00 0.00 C ATOM 1259 C ASN A 85 4.213 -14.489 4.619 1.00 0.00 C ATOM 1260 O ASN A 85 3.007 -14.279 4.743 1.00 0.00 O ATOM 1261 CB ASN A 85 4.614 -16.823 5.426 1.00 0.00 C ATOM 1262 CG ASN A 85 3.178 -17.220 5.713 1.00 0.00 C ATOM 1263 OD1 ASN A 85 2.248 -16.732 5.071 1.00 0.00 O ATOM 1264 ND2 ASN A 85 2.993 -18.109 6.682 1.00 0.00 N ATOM 0 H ASN A 85 6.791 -15.611 4.507 1.00 0.00 H new ATOM 0 HA ASN A 85 4.117 -16.252 3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.204 -17.719 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.040 -16.347 6.309 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.049 -18.414 6.921 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.794 -18.487 7.187 1.00 0.00 H new ATOM 1271 N GLN A 86 5.135 -13.551 4.807 1.00 0.00 N ATOM 1272 CA GLN A 86 4.774 -12.189 5.179 1.00 0.00 C ATOM 1273 C GLN A 86 5.934 -11.231 4.933 1.00 0.00 C ATOM 1274 O GLN A 86 6.919 -11.229 5.672 1.00 0.00 O ATOM 1275 CB GLN A 86 4.354 -12.133 6.649 1.00 0.00 C ATOM 1276 CG GLN A 86 4.007 -10.734 7.130 1.00 0.00 C ATOM 1277 CD GLN A 86 3.874 -10.651 8.638 1.00 0.00 C ATOM 1278 OE1 GLN A 86 3.344 -11.560 9.277 1.00 0.00 O ATOM 1279 NE2 GLN A 86 4.357 -9.557 9.216 1.00 0.00 N ATOM 0 H GLN A 86 6.138 -13.709 4.708 1.00 0.00 H new ATOM 0 HA GLN A 86 3.934 -11.881 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.492 -12.783 6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.162 -12.530 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.778 -10.038 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.072 -10.417 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.788 -8.828 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.296 -9.446 10.228 1.00 0.00 H new ATOM 1288 N LEU A 87 5.813 -10.418 3.889 1.00 0.00 N ATOM 1289 CA LEU A 87 6.853 -9.454 3.544 1.00 0.00 C ATOM 1290 C LEU A 87 6.700 -8.174 4.358 1.00 0.00 C ATOM 1291 O LEU A 87 5.586 -7.707 4.596 1.00 0.00 O ATOM 1292 CB LEU A 87 6.801 -9.131 2.050 1.00 0.00 C ATOM 1293 CG LEU A 87 7.031 -10.308 1.101 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.441 -10.012 -0.269 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.516 -10.619 0.987 1.00 0.00 C ATOM 0 H LEU A 87 5.005 -10.407 3.267 1.00 0.00 H new ATOM 0 HA LEU A 87 7.820 -9.899 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.827 -8.695 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.549 -8.367 1.837 1.00 0.00 H new ATOM 0 HG LEU A 87 6.527 -11.183 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.614 -10.861 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.369 -9.839 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.916 -9.124 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.661 -11.459 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.042 -9.746 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.911 -10.875 1.970 1.00 0.00 H new ATOM 1307 N ARG A 88 7.826 -7.610 4.782 1.00 0.00 N ATOM 1308 CA ARG A 88 7.818 -6.382 5.568 1.00 0.00 C ATOM 1309 C ARG A 88 8.987 -5.481 5.182 1.00 0.00 C ATOM 1310 O ARG A 88 10.142 -5.781 5.486 1.00 0.00 O ATOM 1311 CB ARG A 88 7.882 -6.708 7.062 1.00 0.00 C ATOM 1312 CG ARG A 88 7.195 -5.675 7.940 1.00 0.00 C ATOM 1313 CD ARG A 88 7.638 -5.794 9.390 1.00 0.00 C ATOM 1314 NE ARG A 88 9.075 -5.577 9.543 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.705 -5.629 10.711 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.030 -5.889 11.822 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.014 -5.420 10.769 1.00 0.00 N ATOM 0 H ARG A 88 8.756 -7.984 4.594 1.00 0.00 H new ATOM 0 HA ARG A 88 6.889 -5.852 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.422 -7.681 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.926 -6.791 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.420 -4.674 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.114 -5.803 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.095 -5.068 9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.378 -6.783 9.768 1.00 0.00 H new ATOM 0 HE ARG A 88 9.624 -5.375 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.024 -6.050 11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.517 -5.928 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.537 -5.219 9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.498 -5.460 11.666 1.00 0.00 H new ATOM 1331 N PHE A 89 8.679 -4.376 4.512 1.00 0.00 N ATOM 1332 CA PHE A 89 9.704 -3.431 4.083 1.00 0.00 C ATOM 1333 C PHE A 89 9.290 -1.998 4.402 1.00 0.00 C ATOM 1334 O PHE A 89 8.251 -1.761 5.019 1.00 0.00 O ATOM 1335 CB PHE A 89 9.966 -3.577 2.582 1.00 0.00 C ATOM 1336 CG PHE A 89 8.728 -3.444 1.742 1.00 0.00 C ATOM 1337 CD1 PHE A 89 7.913 -4.540 1.509 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.379 -2.224 1.187 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.773 -4.421 0.735 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.240 -2.099 0.413 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.436 -3.199 0.188 1.00 0.00 C ATOM 0 H PHE A 89 7.728 -4.112 4.254 1.00 0.00 H new ATOM 0 HA PHE A 89 10.621 -3.655 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.689 -2.822 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.421 -4.550 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.171 -5.498 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.004 -1.360 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.147 -5.283 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.979 -1.142 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.545 -3.103 -0.415 1.00 0.00 H new ATOM 1351 N THR A 90 10.112 -1.043 3.978 1.00 0.00 N ATOM 1352 CA THR A 90 9.834 0.368 4.219 1.00 0.00 C ATOM 1353 C THR A 90 9.974 1.182 2.938 1.00 0.00 C ATOM 1354 O THR A 90 10.745 0.829 2.046 1.00 0.00 O ATOM 1355 CB THR A 90 10.775 0.951 5.290 1.00 0.00 C ATOM 1356 OG1 THR A 90 11.010 -0.020 6.316 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.183 2.211 5.902 1.00 0.00 C ATOM 0 H THR A 90 10.976 -1.221 3.466 1.00 0.00 H new ATOM 0 HA THR A 90 8.806 0.431 4.576 1.00 0.00 H new ATOM 0 HB THR A 90 11.720 1.209 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.610 0.357 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.865 2.605 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.033 2.958 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.226 1.975 6.367 1.00 0.00 H new ATOM 1365 N VAL A 91 9.222 2.276 2.853 1.00 0.00 N ATOM 1366 CA VAL A 91 9.264 3.142 1.681 1.00 0.00 C ATOM 1367 C VAL A 91 9.533 4.589 2.077 1.00 0.00 C ATOM 1368 O VAL A 91 8.889 5.127 2.977 1.00 0.00 O ATOM 1369 CB VAL A 91 7.946 3.076 0.886 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.778 1.707 0.244 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.764 3.400 1.788 1.00 0.00 C ATOM 0 H VAL A 91 8.577 2.583 3.581 1.00 0.00 H new ATOM 0 HA VAL A 91 10.078 2.783 1.051 1.00 0.00 H new ATOM 0 HB VAL A 91 7.983 3.821 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.842 1.679 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.610 1.519 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.762 0.941 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.841 3.349 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.721 2.680 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.882 4.404 2.196 1.00 0.00 H new ATOM 1381 N MET A 92 10.489 5.215 1.398 1.00 0.00 N ATOM 1382 CA MET A 92 10.843 6.602 1.678 1.00 0.00 C ATOM 1383 C MET A 92 10.103 7.551 0.741 1.00 0.00 C ATOM 1384 O MET A 92 9.549 7.130 -0.274 1.00 0.00 O ATOM 1385 CB MET A 92 12.353 6.803 1.540 1.00 0.00 C ATOM 1386 CG MET A 92 13.125 6.507 2.816 1.00 0.00 C ATOM 1387 SD MET A 92 14.699 7.383 2.895 1.00 0.00 S ATOM 1388 CE MET A 92 15.449 6.870 1.351 1.00 0.00 C ATOM 0 H MET A 92 11.032 4.784 0.650 1.00 0.00 H new ATOM 0 HA MET A 92 10.547 6.827 2.702 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.725 6.160 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.548 7.832 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.516 6.784 3.677 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.307 5.435 2.886 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.425 7.345 1.245 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.570 5.787 1.348 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.809 7.166 0.520 1.00 0.00 H new ATOM 1398 N ALA A 93 10.099 8.834 1.088 1.00 0.00 N ATOM 1399 CA ALA A 93 9.430 9.843 0.276 1.00 0.00 C ATOM 1400 C ALA A 93 10.173 11.173 0.331 1.00 0.00 C ATOM 1401 O ALA A 93 10.286 11.789 1.391 1.00 0.00 O ATOM 1402 CB ALA A 93 7.991 10.021 0.737 1.00 0.00 C ATOM 0 H ALA A 93 10.552 9.199 1.926 1.00 0.00 H new ATOM 0 HA ALA A 93 9.429 9.500 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.503 10.777 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.458 9.075 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.980 10.338 1.780 1.00 0.00 H new ATOM 1408 N ARG A 94 10.679 11.611 -0.818 1.00 0.00 N ATOM 1409 CA ARG A 94 11.413 12.868 -0.900 1.00 0.00 C ATOM 1410 C ARG A 94 10.484 14.016 -1.285 1.00 0.00 C ATOM 1411 O ARG A 94 9.414 13.798 -1.854 1.00 0.00 O ATOM 1412 CB ARG A 94 12.549 12.754 -1.918 1.00 0.00 C ATOM 1413 CG ARG A 94 13.419 11.523 -1.724 1.00 0.00 C ATOM 1414 CD ARG A 94 14.728 11.639 -2.489 1.00 0.00 C ATOM 1415 NE ARG A 94 14.616 11.118 -3.849 1.00 0.00 N ATOM 1416 CZ ARG A 94 14.756 9.834 -4.157 1.00 0.00 C ATOM 1417 NH1 ARG A 94 15.013 8.945 -3.208 1.00 0.00 N ATOM 1418 NH2 ARG A 94 14.639 9.437 -5.418 1.00 0.00 N ATOM 0 H ARG A 94 10.594 11.114 -1.704 1.00 0.00 H new ATOM 0 HA ARG A 94 11.835 13.078 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.125 12.734 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.174 13.644 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.627 11.387 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.878 10.638 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.035 12.684 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.509 11.096 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 94 14.420 11.776 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.104 9.246 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.120 7.959 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.441 10.118 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.747 8.451 -5.654 1.00 0.00 H new ATOM 1520 N LYS A 101 13.235 15.998 3.439 1.00 0.00 N ATOM 1521 CA LYS A 101 12.793 15.263 4.619 1.00 0.00 C ATOM 1522 C LYS A 101 12.205 13.911 4.228 1.00 0.00 C ATOM 1523 O LYS A 101 10.987 13.760 4.120 1.00 0.00 O ATOM 1524 CB LYS A 101 11.756 16.078 5.394 1.00 0.00 C ATOM 1525 CG LYS A 101 11.341 15.442 6.709 1.00 0.00 C ATOM 1526 CD LYS A 101 12.521 15.301 7.657 1.00 0.00 C ATOM 1527 CE LYS A 101 13.208 13.954 7.494 1.00 0.00 C ATOM 1528 NZ LYS A 101 12.631 12.924 8.402 1.00 0.00 N ATOM 0 HA LYS A 101 13.660 15.092 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.161 17.071 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.872 16.213 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.566 16.048 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.907 14.461 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.237 16.101 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.178 15.414 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.114 13.621 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.273 14.062 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.126 12.020 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.743 13.230 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.620 12.802 8.190 1.00 0.00 H new ATOM 1542 N THR A 102 13.076 12.929 4.020 1.00 0.00 N ATOM 1543 CA THR A 102 12.643 11.589 3.643 1.00 0.00 C ATOM 1544 C THR A 102 11.835 10.938 4.759 1.00 0.00 C ATOM 1545 O THR A 102 12.305 10.822 5.891 1.00 0.00 O ATOM 1546 CB THR A 102 13.842 10.687 3.298 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.720 10.587 4.425 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.605 11.235 2.102 1.00 0.00 C ATOM 0 H THR A 102 14.087 13.037 4.106 1.00 0.00 H new ATOM 0 HA THR A 102 12.014 11.697 2.759 1.00 0.00 H new ATOM 0 HB THR A 102 13.463 9.697 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.214 10.747 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.448 10.581 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.942 11.283 1.238 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.973 12.235 2.332 1.00 0.00 H new ATOM 1556 N ASP A 103 10.619 10.513 4.434 1.00 0.00 N ATOM 1557 CA ASP A 103 9.747 9.871 5.410 1.00 0.00 C ATOM 1558 C ASP A 103 9.598 8.383 5.109 1.00 0.00 C ATOM 1559 O ASP A 103 9.232 7.996 3.999 1.00 0.00 O ATOM 1560 CB ASP A 103 8.372 10.543 5.417 1.00 0.00 C ATOM 1561 CG ASP A 103 7.482 10.027 6.530 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.648 10.482 7.681 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.620 9.168 6.251 1.00 0.00 O ATOM 0 H ASP A 103 10.215 10.602 3.502 1.00 0.00 H new ATOM 0 HA ASP A 103 10.201 9.981 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.498 11.620 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.883 10.375 4.457 1.00 0.00 H new ATOM 1568 N LYS A 104 9.885 7.552 6.105 1.00 0.00 N ATOM 1569 CA LYS A 104 9.783 6.106 5.949 1.00 0.00 C ATOM 1570 C LYS A 104 8.378 5.619 6.289 1.00 0.00 C ATOM 1571 O LYS A 104 7.679 6.228 7.098 1.00 0.00 O ATOM 1572 CB LYS A 104 10.808 5.402 6.842 1.00 0.00 C ATOM 1573 CG LYS A 104 12.222 5.438 6.289 1.00 0.00 C ATOM 1574 CD LYS A 104 13.255 5.260 7.390 1.00 0.00 C ATOM 1575 CE LYS A 104 14.617 5.789 6.966 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.627 5.653 8.051 1.00 0.00 N ATOM 0 H LYS A 104 10.190 7.855 7.030 1.00 0.00 H new ATOM 0 HA LYS A 104 9.990 5.863 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.800 5.868 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.506 4.363 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.343 4.651 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.391 6.387 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.924 5.781 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.337 4.204 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.958 5.248 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.527 6.838 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.541 6.025 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.315 6.190 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.732 4.650 8.304 1.00 0.00 H new ATOM 1590 N ALA A 105 7.971 4.518 5.666 1.00 0.00 N ATOM 1591 CA ALA A 105 6.651 3.948 5.906 1.00 0.00 C ATOM 1592 C ALA A 105 6.657 2.438 5.691 1.00 0.00 C ATOM 1593 O ALA A 105 6.889 1.959 4.580 1.00 0.00 O ATOM 1594 CB ALA A 105 5.620 4.607 5.003 1.00 0.00 C ATOM 0 H ALA A 105 8.537 4.003 4.991 1.00 0.00 H new ATOM 0 HA ALA A 105 6.384 4.139 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.639 4.172 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.588 5.677 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.893 4.445 3.960 1.00 0.00 H new ATOM 1600 N THR A 106 6.402 1.691 6.760 1.00 0.00 N ATOM 1601 CA THR A 106 6.380 0.236 6.689 1.00 0.00 C ATOM 1602 C THR A 106 5.198 -0.256 5.861 1.00 0.00 C ATOM 1603 O THR A 106 4.108 0.313 5.916 1.00 0.00 O ATOM 1604 CB THR A 106 6.306 -0.395 8.092 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.384 0.086 8.903 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.367 -1.912 8.008 1.00 0.00 C ATOM 0 H THR A 106 6.208 2.071 7.687 1.00 0.00 H new ATOM 0 HA THR A 106 7.310 -0.070 6.210 1.00 0.00 H new ATOM 0 HB THR A 106 5.356 -0.110 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.329 -0.319 9.794 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.313 -2.334 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.529 -2.278 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.303 -2.213 7.537 1.00 0.00 H new ATOM 1614 N VAL A 107 5.421 -1.318 5.093 1.00 0.00 N ATOM 1615 CA VAL A 107 4.374 -1.888 4.254 1.00 0.00 C ATOM 1616 C VAL A 107 4.227 -3.386 4.500 1.00 0.00 C ATOM 1617 O VAL A 107 5.031 -4.186 4.023 1.00 0.00 O ATOM 1618 CB VAL A 107 4.660 -1.650 2.759 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.597 -2.316 1.899 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.741 -0.160 2.463 1.00 0.00 C ATOM 0 H VAL A 107 6.318 -1.801 5.035 1.00 0.00 H new ATOM 0 HA VAL A 107 3.445 -1.386 4.523 1.00 0.00 H new ATOM 0 HB VAL A 107 5.623 -2.098 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.816 -2.137 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.593 -3.389 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.619 -1.900 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.944 -0.010 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.795 0.314 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.543 0.285 3.052 1.00 0.00 H new ATOM 1630 N VAL A 108 3.193 -3.758 5.248 1.00 0.00 N ATOM 1631 CA VAL A 108 2.939 -5.160 5.557 1.00 0.00 C ATOM 1632 C VAL A 108 2.028 -5.796 4.513 1.00 0.00 C ATOM 1633 O VAL A 108 0.883 -5.380 4.336 1.00 0.00 O ATOM 1634 CB VAL A 108 2.298 -5.321 6.948 1.00 0.00 C ATOM 1635 CG1 VAL A 108 1.988 -6.784 7.227 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.207 -4.745 8.023 1.00 0.00 C ATOM 0 H VAL A 108 2.518 -3.108 5.651 1.00 0.00 H new ATOM 0 HA VAL A 108 3.904 -5.666 5.550 1.00 0.00 H new ATOM 0 HB VAL A 108 1.360 -4.767 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.536 -6.878 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.296 -7.159 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.910 -7.364 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.738 -4.867 9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.163 -5.269 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.372 -3.685 7.830 1.00 0.00 H new ATOM 1646 N LEU A 109 2.544 -6.808 3.824 1.00 0.00 N ATOM 1647 CA LEU A 109 1.776 -7.504 2.797 1.00 0.00 C ATOM 1648 C LEU A 109 1.537 -8.959 3.187 1.00 0.00 C ATOM 1649 O LEU A 109 2.437 -9.793 3.095 1.00 0.00 O ATOM 1650 CB LEU A 109 2.507 -7.438 1.454 1.00 0.00 C ATOM 1651 CG LEU A 109 2.766 -6.037 0.899 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.495 -6.117 -0.433 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.458 -5.274 0.748 1.00 0.00 C ATOM 0 H LEU A 109 3.490 -7.165 3.958 1.00 0.00 H new ATOM 0 HA LEU A 109 0.809 -7.009 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.464 -7.948 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.927 -7.997 0.719 1.00 0.00 H new ATOM 0 HG LEU A 109 3.399 -5.498 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.671 -5.110 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.450 -6.625 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.888 -6.673 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.661 -4.279 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.801 -5.810 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.974 -5.186 1.721 1.00 0.00 H new ATOM 1665 N ASN A 110 0.317 -9.257 3.622 1.00 0.00 N ATOM 1666 CA ASN A 110 -0.042 -10.612 4.025 1.00 0.00 C ATOM 1667 C ASN A 110 -0.096 -11.542 2.818 1.00 0.00 C ATOM 1668 O ASN A 110 -0.916 -11.360 1.918 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.392 -10.612 4.744 1.00 0.00 C ATOM 1670 CG ASN A 110 -1.268 -10.239 6.209 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -1.100 -11.104 7.069 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -1.350 -8.946 6.499 1.00 0.00 N ATOM 0 H ASN A 110 -0.440 -8.578 3.704 1.00 0.00 H new ATOM 0 HA ASN A 110 0.725 -10.976 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.064 -9.911 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.845 -11.600 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.273 -8.635 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.490 -8.264 5.754 1.00 0.00 H new ATOM 1679 N ILE A 111 0.783 -12.539 2.806 1.00 0.00 N ATOM 1680 CA ILE A 111 0.834 -13.498 1.710 1.00 0.00 C ATOM 1681 C ILE A 111 -0.329 -14.482 1.786 1.00 0.00 C ATOM 1682 O ILE A 111 -0.240 -15.516 2.447 1.00 0.00 O ATOM 1683 CB ILE A 111 2.158 -14.285 1.712 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.347 -13.327 1.616 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.182 -15.284 0.565 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.464 -12.643 0.272 1.00 0.00 C ATOM 0 H ILE A 111 1.469 -12.703 3.543 1.00 0.00 H new ATOM 0 HA ILE A 111 0.762 -12.925 0.786 1.00 0.00 H new ATOM 0 HB ILE A 111 2.234 -14.836 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.256 -12.569 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.265 -13.879 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.124 -15.832 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.353 -15.983 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.086 -14.753 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.328 -11.979 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.586 -13.394 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.562 -12.063 0.079 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.420 -14.153 1.102 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.601 -15.007 1.088 1.00 0.00 C ATOM 1700 C LYS A 112 -2.380 -16.227 0.199 1.00 0.00 C ATOM 1701 O LYS A 112 -1.385 -16.310 -0.520 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.819 -14.221 0.600 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.165 -13.028 1.475 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.867 -13.459 2.752 1.00 0.00 C ATOM 1705 CE LYS A 112 -3.877 -13.677 3.886 1.00 0.00 C ATOM 1706 NZ LYS A 112 -4.507 -13.468 5.219 1.00 0.00 N ATOM 0 H LYS A 112 -1.510 -13.300 0.550 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.782 -15.350 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.633 -13.874 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.679 -14.890 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.255 -12.483 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.805 -12.342 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.594 -12.700 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.422 -14.379 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.476 -14.689 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.036 -12.993 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.800 -13.626 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.868 -12.495 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.294 -14.137 5.340 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.314 -17.170 0.253 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.223 -18.384 -0.550 1.00 0.00 C ATOM 1722 C ASP A 113 -4.326 -18.424 -1.602 1.00 0.00 C ATOM 1723 O ASP A 113 -5.479 -18.725 -1.294 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.309 -19.620 0.346 1.00 0.00 C ATOM 1725 CG ASP A 113 -4.388 -19.495 1.403 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -4.293 -18.575 2.241 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -5.328 -20.318 1.393 1.00 0.00 O ATOM 0 H ASP A 113 -4.143 -17.117 0.845 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.260 -18.382 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.507 -20.498 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.346 -19.781 0.831 1.00 0.00 H new