USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 531 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 46 HIS : no HE2:sc= 0.597 K(o=0.59,f=-5.8!) USER MOD Set 1.2: A 51 SER OG : rot 180:sc=-0.00839 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 12 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.48) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.152 (180deg=-0.614) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0578) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.79) USER MOD Single : A 32 GLN : amide:sc= -0.406! C(o=-0.41!,f=-8!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 49 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 55 HIS : no HE2:sc= -0.941 K(o=-0.94,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= -0.285 K(o=-0.28,f=-1.5) USER MOD Single : A 58 ASN : amide:sc= 0.567 K(o=0.57,f=-8.7!) USER MOD Single : A 60 SER OG : rot -120:sc= 0.477 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.4!) USER MOD Single : A 68 GLN : amide:sc= -3.51! K(o=-3.5!,f=-0.049) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= 1.23 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.335 0.534 3.589 1.00 0.00 N ATOM 125 CA CYS A 9 13.276 1.129 2.654 1.00 0.00 C ATOM 126 C CYS A 9 13.608 0.088 1.600 1.00 0.00 C ATOM 127 O CYS A 9 14.641 -0.583 1.654 1.00 0.00 O ATOM 128 CB CYS A 9 14.538 1.630 3.367 1.00 0.00 C ATOM 129 SG CYS A 9 15.853 2.266 2.261 1.00 0.00 S ATOM 0 HA CYS A 9 12.827 2.004 2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.255 2.421 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.948 0.815 3.963 1.00 0.00 H new ATOM 134 N CYS A 10 12.682 -0.078 0.673 1.00 0.00 N ATOM 135 CA CYS A 10 12.762 -1.132 -0.314 1.00 0.00 C ATOM 136 C CYS A 10 13.835 -0.839 -1.348 1.00 0.00 C ATOM 137 O CYS A 10 13.779 0.166 -2.053 1.00 0.00 O ATOM 138 CB CYS A 10 11.405 -1.310 -0.995 1.00 0.00 C ATOM 139 SG CYS A 10 10.049 -1.682 0.163 1.00 0.00 S ATOM 0 H CYS A 10 11.856 0.514 0.586 1.00 0.00 H new ATOM 0 HA CYS A 10 13.033 -2.057 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.162 -0.401 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.478 -2.115 -1.726 1.00 0.00 H new ATOM 144 N THR A 11 14.824 -1.720 -1.418 1.00 0.00 N ATOM 145 CA THR A 11 15.859 -1.623 -2.430 1.00 0.00 C ATOM 146 C THR A 11 15.430 -2.341 -3.707 1.00 0.00 C ATOM 147 O THR A 11 16.155 -2.371 -4.701 1.00 0.00 O ATOM 148 CB THR A 11 17.182 -2.211 -1.915 1.00 0.00 C ATOM 149 OG1 THR A 11 16.917 -3.400 -1.154 1.00 0.00 O ATOM 150 CG2 THR A 11 17.929 -1.200 -1.056 1.00 0.00 C ATOM 0 H THR A 11 14.928 -2.511 -0.782 1.00 0.00 H new ATOM 0 HA THR A 11 16.012 -0.568 -2.655 1.00 0.00 H new ATOM 0 HB THR A 11 17.809 -2.458 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.762 -3.775 -0.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.862 -1.640 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.148 -0.311 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.313 -0.924 -0.201 1.00 0.00 H new ATOM 158 N GLN A 12 14.234 -2.912 -3.662 1.00 0.00 N ATOM 159 CA GLN A 12 13.633 -3.563 -4.813 1.00 0.00 C ATOM 160 C GLN A 12 12.154 -3.206 -4.894 1.00 0.00 C ATOM 161 O GLN A 12 11.574 -2.731 -3.916 1.00 0.00 O ATOM 162 CB GLN A 12 13.839 -5.089 -4.773 1.00 0.00 C ATOM 163 CG GLN A 12 13.701 -5.749 -3.398 1.00 0.00 C ATOM 164 CD GLN A 12 12.351 -5.532 -2.738 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.395 -6.266 -2.991 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.286 -4.557 -1.843 1.00 0.00 N ATOM 0 H GLN A 12 13.654 -2.936 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 12 14.131 -3.201 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.120 -5.551 -5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.832 -5.312 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.874 -6.820 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.481 -5.362 -2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.103 -3.973 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.419 -4.391 -1.332 1.00 0.00 H new ATOM 175 N LEU A 13 11.554 -3.409 -6.054 1.00 0.00 N ATOM 176 CA LEU A 13 10.157 -3.059 -6.265 1.00 0.00 C ATOM 177 C LEU A 13 9.451 -4.147 -7.065 1.00 0.00 C ATOM 178 O LEU A 13 9.984 -4.643 -8.057 1.00 0.00 O ATOM 179 CB LEU A 13 10.066 -1.712 -6.988 1.00 0.00 C ATOM 180 CG LEU A 13 10.666 -0.527 -6.217 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.891 0.663 -7.131 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.766 -0.135 -5.055 1.00 0.00 C ATOM 0 H LEU A 13 12.013 -3.816 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 13 9.661 -2.974 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.573 -1.796 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.018 -1.498 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 13 11.633 -0.840 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.316 1.487 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.578 0.384 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.940 0.975 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.207 0.706 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.785 0.151 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.660 -0.981 -4.376 1.00 0.00 H new ATOM 194 N TYR A 14 8.253 -4.514 -6.627 1.00 0.00 N ATOM 195 CA TYR A 14 7.497 -5.594 -7.253 1.00 0.00 C ATOM 196 C TYR A 14 7.087 -5.208 -8.671 1.00 0.00 C ATOM 197 O TYR A 14 7.178 -6.018 -9.596 1.00 0.00 O ATOM 198 CB TYR A 14 6.262 -5.915 -6.409 1.00 0.00 C ATOM 199 CG TYR A 14 5.650 -7.270 -6.695 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.163 -8.417 -6.100 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.557 -7.405 -7.543 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.610 -9.658 -6.346 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.998 -8.645 -7.792 1.00 0.00 C ATOM 204 CZ TYR A 14 4.527 -9.766 -7.190 1.00 0.00 C ATOM 205 OH TYR A 14 3.972 -11.001 -7.435 1.00 0.00 O ATOM 0 H TYR A 14 7.781 -4.077 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 14 8.129 -6.481 -7.311 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.534 -5.867 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.509 -5.145 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.009 -8.336 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.138 -6.528 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.024 -10.539 -5.879 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.150 -8.735 -8.455 1.00 0.00 H new ATOM 0 HH TYR A 14 3.216 -10.903 -8.051 1.00 0.00 H new ATOM 215 N ARG A 15 6.623 -3.962 -8.818 1.00 0.00 N ATOM 216 CA ARG A 15 6.288 -3.369 -10.121 1.00 0.00 C ATOM 217 C ARG A 15 4.984 -3.929 -10.698 1.00 0.00 C ATOM 218 O ARG A 15 4.154 -3.175 -11.207 1.00 0.00 O ATOM 219 CB ARG A 15 7.433 -3.553 -11.126 1.00 0.00 C ATOM 220 CG ARG A 15 8.740 -2.910 -10.690 1.00 0.00 C ATOM 221 CD ARG A 15 9.857 -3.197 -11.681 1.00 0.00 C ATOM 222 NE ARG A 15 10.088 -4.632 -11.845 1.00 0.00 N ATOM 223 CZ ARG A 15 10.763 -5.170 -12.860 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.315 -4.395 -13.785 1.00 0.00 N ATOM 225 NH2 ARG A 15 10.891 -6.486 -12.939 1.00 0.00 N ATOM 0 H ARG A 15 6.468 -3.331 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 15 6.141 -2.303 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.598 -4.619 -11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.133 -3.131 -12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.603 -1.833 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.020 -3.284 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.607 -2.757 -12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.775 -2.718 -11.341 1.00 0.00 H new ATOM 0 HE ARG A 15 9.708 -5.261 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.224 -3.381 -13.722 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.830 -4.813 -14.559 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.474 -7.083 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.407 -6.903 -13.714 1.00 0.00 H new ATOM 239 N LYS A 16 4.807 -5.239 -10.625 1.00 0.00 N ATOM 240 CA LYS A 16 3.601 -5.878 -11.136 1.00 0.00 C ATOM 241 C LYS A 16 2.399 -5.577 -10.246 1.00 0.00 C ATOM 242 O LYS A 16 2.543 -5.386 -9.041 1.00 0.00 O ATOM 243 CB LYS A 16 3.809 -7.392 -11.256 1.00 0.00 C ATOM 244 CG LYS A 16 4.657 -7.786 -12.451 1.00 0.00 C ATOM 245 CD LYS A 16 3.939 -7.477 -13.757 1.00 0.00 C ATOM 246 CE LYS A 16 4.866 -7.590 -14.951 1.00 0.00 C ATOM 247 NZ LYS A 16 6.003 -6.638 -14.852 1.00 0.00 N ATOM 0 H LYS A 16 5.484 -5.883 -10.216 1.00 0.00 H new ATOM 0 HA LYS A 16 3.398 -5.471 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.282 -7.761 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.838 -7.881 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.607 -7.252 -12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.888 -8.850 -12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.101 -8.163 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.524 -6.470 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.248 -8.608 -15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.307 -7.396 -15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.383 -6.451 -15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.674 -5.747 -14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.749 -7.049 -14.255 1.00 0.00 H new ATOM 261 N PRO A 17 1.200 -5.505 -10.844 1.00 0.00 N ATOM 262 CA PRO A 17 -0.040 -5.271 -10.101 1.00 0.00 C ATOM 263 C PRO A 17 -0.342 -6.406 -9.130 1.00 0.00 C ATOM 264 O PRO A 17 -0.079 -7.578 -9.422 1.00 0.00 O ATOM 265 CB PRO A 17 -1.113 -5.194 -11.193 1.00 0.00 C ATOM 266 CG PRO A 17 -0.520 -5.892 -12.367 1.00 0.00 C ATOM 267 CD PRO A 17 0.958 -5.645 -12.289 1.00 0.00 C ATOM 0 HA PRO A 17 0.014 -4.372 -9.488 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.037 -5.676 -10.873 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.359 -4.159 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.740 -6.959 -12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.932 -5.506 -13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.527 -6.471 -12.714 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.245 -4.746 -12.834 1.00 0.00 H new ATOM 275 N LEU A 18 -0.888 -6.060 -7.978 1.00 0.00 N ATOM 276 CA LEU A 18 -1.178 -7.048 -6.953 1.00 0.00 C ATOM 277 C LEU A 18 -2.576 -7.620 -7.149 1.00 0.00 C ATOM 278 O LEU A 18 -3.465 -6.938 -7.658 1.00 0.00 O ATOM 279 CB LEU A 18 -1.045 -6.426 -5.562 1.00 0.00 C ATOM 280 CG LEU A 18 0.301 -5.752 -5.285 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.379 -5.279 -3.840 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.445 -6.702 -5.600 1.00 0.00 C ATOM 0 H LEU A 18 -1.140 -5.104 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.457 -7.861 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.838 -5.689 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.206 -7.203 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 18 0.388 -4.880 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.344 -4.803 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.420 -4.562 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.269 -6.133 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.395 -6.207 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.360 -7.593 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.402 -6.988 -6.651 1.00 0.00 H new ATOM 294 N SER A 19 -2.756 -8.878 -6.771 1.00 0.00 N ATOM 295 CA SER A 19 -4.048 -9.537 -6.892 1.00 0.00 C ATOM 296 C SER A 19 -5.055 -8.932 -5.914 1.00 0.00 C ATOM 297 O SER A 19 -4.750 -8.746 -4.737 1.00 0.00 O ATOM 298 CB SER A 19 -3.890 -11.034 -6.631 1.00 0.00 C ATOM 299 OG SER A 19 -2.832 -11.574 -7.408 1.00 0.00 O ATOM 0 H SER A 19 -2.020 -9.464 -6.377 1.00 0.00 H new ATOM 0 HA SER A 19 -4.424 -9.388 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.693 -11.204 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.821 -11.549 -6.869 1.00 0.00 H new ATOM 0 HG SER A 19 -2.747 -12.533 -7.224 1.00 0.00 H new ATOM 305 N ASP A 20 -6.252 -8.641 -6.408 1.00 0.00 N ATOM 306 CA ASP A 20 -7.292 -7.992 -5.607 1.00 0.00 C ATOM 307 C ASP A 20 -7.663 -8.847 -4.396 1.00 0.00 C ATOM 308 O ASP A 20 -8.069 -8.331 -3.352 1.00 0.00 O ATOM 309 CB ASP A 20 -8.529 -7.731 -6.470 1.00 0.00 C ATOM 310 CG ASP A 20 -9.484 -6.726 -5.852 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.036 -5.628 -5.463 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.697 -7.023 -5.769 1.00 0.00 O ATOM 0 H ASP A 20 -6.532 -8.845 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.903 -7.041 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.213 -7.369 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.056 -8.671 -6.633 1.00 0.00 H new ATOM 317 N LYS A 21 -7.510 -10.164 -4.539 1.00 0.00 N ATOM 318 CA LYS A 21 -7.789 -11.090 -3.447 1.00 0.00 C ATOM 319 C LYS A 21 -6.802 -10.902 -2.299 1.00 0.00 C ATOM 320 O LYS A 21 -7.198 -10.879 -1.135 1.00 0.00 O ATOM 321 CB LYS A 21 -7.741 -12.540 -3.930 1.00 0.00 C ATOM 322 CG LYS A 21 -8.758 -12.865 -5.009 1.00 0.00 C ATOM 323 CD LYS A 21 -8.809 -14.361 -5.271 1.00 0.00 C ATOM 324 CE LYS A 21 -9.735 -14.701 -6.427 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.174 -14.268 -7.736 1.00 0.00 N ATOM 0 H LYS A 21 -7.195 -10.611 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.794 -10.870 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.742 -12.753 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.905 -13.201 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.743 -12.511 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.500 -12.339 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.806 -14.726 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.146 -14.876 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.912 -15.776 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.702 -14.222 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.758 -14.650 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.171 -13.229 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.201 -14.622 -7.831 1.00 0.00 H new ATOM 339 N LEU A 22 -5.517 -10.785 -2.614 1.00 0.00 N ATOM 340 CA LEU A 22 -4.521 -10.537 -1.580 1.00 0.00 C ATOM 341 C LEU A 22 -4.624 -9.098 -1.091 1.00 0.00 C ATOM 342 O LEU A 22 -4.300 -8.801 0.057 1.00 0.00 O ATOM 343 CB LEU A 22 -3.095 -10.882 -2.060 1.00 0.00 C ATOM 344 CG LEU A 22 -2.515 -10.048 -3.214 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.929 -8.733 -2.714 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.455 -10.843 -3.958 1.00 0.00 C ATOM 0 H LEU A 22 -5.145 -10.856 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.728 -11.199 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.422 -10.791 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.086 -11.929 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.332 -9.813 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.528 -8.170 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.709 -8.149 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.130 -8.938 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.053 -10.240 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.651 -11.108 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.900 -11.751 -4.364 1.00 0.00 H new ATOM 358 N LEU A 23 -5.101 -8.220 -1.966 1.00 0.00 N ATOM 359 CA LEU A 23 -5.299 -6.819 -1.619 1.00 0.00 C ATOM 360 C LEU A 23 -6.326 -6.672 -0.503 1.00 0.00 C ATOM 361 O LEU A 23 -6.088 -5.963 0.466 1.00 0.00 O ATOM 362 CB LEU A 23 -5.724 -6.005 -2.847 1.00 0.00 C ATOM 363 CG LEU A 23 -4.617 -5.729 -3.869 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.162 -4.930 -5.045 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.463 -4.987 -3.215 1.00 0.00 C ATOM 0 H LEU A 23 -5.358 -8.456 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.347 -6.428 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.535 -6.533 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.127 -5.051 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.248 -6.684 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.361 -4.744 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.958 -5.494 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.557 -3.979 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.685 -4.799 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.821 -4.038 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.054 -5.591 -2.405 1.00 0.00 H new ATOM 377 N ARG A 24 -7.458 -7.366 -0.619 1.00 0.00 N ATOM 378 CA ARG A 24 -8.511 -7.280 0.400 1.00 0.00 C ATOM 379 C ARG A 24 -8.008 -7.791 1.755 1.00 0.00 C ATOM 380 O ARG A 24 -8.643 -7.579 2.787 1.00 0.00 O ATOM 381 CB ARG A 24 -9.752 -8.071 -0.031 1.00 0.00 C ATOM 382 CG ARG A 24 -9.593 -9.579 0.079 1.00 0.00 C ATOM 383 CD ARG A 24 -10.785 -10.318 -0.510 1.00 0.00 C ATOM 384 NE ARG A 24 -12.048 -9.925 0.116 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.231 -10.452 -0.197 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.305 -11.450 -1.067 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.335 -10.000 0.378 1.00 0.00 N ATOM 0 H ARG A 24 -7.671 -7.988 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.784 -6.230 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.599 -7.760 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.993 -7.816 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.684 -9.887 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.475 -9.856 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.837 -10.123 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.640 -11.391 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.021 -9.203 0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.456 -11.815 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.211 -11.852 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.281 -9.246 1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.239 -10.406 0.136 1.00 0.00 H new ATOM 401 N LYS A 25 -6.854 -8.450 1.734 1.00 0.00 N ATOM 402 CA LYS A 25 -6.232 -8.981 2.940 1.00 0.00 C ATOM 403 C LYS A 25 -5.100 -8.073 3.413 1.00 0.00 C ATOM 404 O LYS A 25 -4.319 -8.438 4.298 1.00 0.00 O ATOM 405 CB LYS A 25 -5.708 -10.392 2.697 1.00 0.00 C ATOM 406 CG LYS A 25 -6.815 -11.415 2.513 1.00 0.00 C ATOM 407 CD LYS A 25 -6.258 -12.805 2.284 1.00 0.00 C ATOM 408 CE LYS A 25 -5.453 -12.864 1.004 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.963 -14.237 0.719 1.00 0.00 N ATOM 0 H LYS A 25 -6.325 -8.630 0.881 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.991 -9.020 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.073 -10.390 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.082 -10.690 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.456 -11.420 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.439 -11.128 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.629 -13.092 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.075 -13.525 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.067 -12.518 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.604 -12.184 1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.417 -14.234 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.356 -14.558 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.773 -14.882 0.623 1.00 0.00 H new ATOM 423 N VAL A 26 -5.007 -6.899 2.805 1.00 0.00 N ATOM 424 CA VAL A 26 -4.087 -5.879 3.243 1.00 0.00 C ATOM 425 C VAL A 26 -4.676 -5.150 4.437 1.00 0.00 C ATOM 426 O VAL A 26 -5.847 -4.771 4.430 1.00 0.00 O ATOM 427 CB VAL A 26 -3.782 -4.887 2.100 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.236 -3.579 2.631 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.805 -5.504 1.119 1.00 0.00 C ATOM 0 H VAL A 26 -5.570 -6.635 1.996 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.148 -6.350 3.535 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.718 -4.672 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.033 -2.905 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.968 -3.123 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.313 -3.766 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.598 -4.795 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.877 -5.750 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.237 -6.412 0.698 1.00 0.00 H new ATOM 439 N ILE A 27 -3.874 -4.981 5.468 1.00 0.00 N ATOM 440 CA ILE A 27 -4.348 -4.371 6.694 1.00 0.00 C ATOM 441 C ILE A 27 -4.000 -2.890 6.747 1.00 0.00 C ATOM 442 O ILE A 27 -4.794 -2.080 7.224 1.00 0.00 O ATOM 443 CB ILE A 27 -3.795 -5.095 7.943 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.271 -5.243 7.861 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.462 -6.453 8.097 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.668 -6.028 9.008 1.00 0.00 C ATOM 0 H ILE A 27 -2.892 -5.257 5.482 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.433 -4.470 6.698 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.024 -4.492 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.013 -5.734 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.820 -4.251 7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.066 -6.955 8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.538 -6.319 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.261 -7.059 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.587 -6.089 8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.893 -5.527 9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.089 -7.033 9.022 1.00 0.00 H new ATOM 458 N GLN A 28 -2.829 -2.533 6.230 1.00 0.00 N ATOM 459 CA GLN A 28 -2.372 -1.149 6.263 1.00 0.00 C ATOM 460 C GLN A 28 -1.553 -0.807 5.027 1.00 0.00 C ATOM 461 O GLN A 28 -1.007 -1.690 4.359 1.00 0.00 O ATOM 462 CB GLN A 28 -1.536 -0.879 7.520 1.00 0.00 C ATOM 463 CG GLN A 28 -2.359 -0.734 8.792 1.00 0.00 C ATOM 464 CD GLN A 28 -3.338 0.424 8.722 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.081 1.428 8.054 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.468 0.290 9.399 1.00 0.00 N ATOM 0 H GLN A 28 -2.180 -3.182 5.784 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.260 -0.517 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.823 -1.693 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.956 0.031 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.907 -1.658 8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.689 -0.589 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.641 -0.558 9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.165 1.034 9.380 1.00 0.00 H new ATOM 475 N VAL A 29 -1.487 0.477 4.728 1.00 0.00 N ATOM 476 CA VAL A 29 -0.672 0.986 3.638 1.00 0.00 C ATOM 477 C VAL A 29 0.410 1.883 4.213 1.00 0.00 C ATOM 478 O VAL A 29 0.129 2.716 5.074 1.00 0.00 O ATOM 479 CB VAL A 29 -1.520 1.787 2.624 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.659 2.323 1.489 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.654 0.930 2.081 1.00 0.00 C ATOM 0 H VAL A 29 -1.998 1.199 5.235 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.230 0.141 3.111 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.952 2.641 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.283 2.882 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.110 2.980 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.187 1.491 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.240 1.511 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.241 0.054 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.295 0.611 2.903 1.00 0.00 H new ATOM 491 N GLU A 30 1.637 1.716 3.758 1.00 0.00 N ATOM 492 CA GLU A 30 2.738 2.481 4.305 1.00 0.00 C ATOM 493 C GLU A 30 3.501 3.212 3.208 1.00 0.00 C ATOM 494 O GLU A 30 3.741 2.674 2.125 1.00 0.00 O ATOM 495 CB GLU A 30 3.660 1.566 5.113 1.00 0.00 C ATOM 496 CG GLU A 30 4.218 0.393 4.325 1.00 0.00 C ATOM 497 CD GLU A 30 4.645 -0.752 5.230 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.050 -0.490 6.387 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.566 -1.918 4.799 1.00 0.00 O ATOM 0 H GLU A 30 1.894 1.063 3.018 1.00 0.00 H new ATOM 0 HA GLU A 30 2.335 3.241 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.490 2.156 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.111 1.183 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.464 0.038 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.072 0.726 3.735 1.00 0.00 H new ATOM 506 N LEU A 31 3.844 4.454 3.488 1.00 0.00 N ATOM 507 CA LEU A 31 4.589 5.270 2.553 1.00 0.00 C ATOM 508 C LEU A 31 6.071 5.241 2.891 1.00 0.00 C ATOM 509 O LEU A 31 6.483 5.693 3.960 1.00 0.00 O ATOM 510 CB LEU A 31 4.069 6.711 2.578 1.00 0.00 C ATOM 511 CG LEU A 31 4.854 7.707 1.720 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.898 7.254 0.268 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.242 9.093 1.825 1.00 0.00 C ATOM 0 H LEU A 31 3.615 4.923 4.365 1.00 0.00 H new ATOM 0 HA LEU A 31 4.452 4.865 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.031 6.711 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.074 7.063 3.610 1.00 0.00 H new ATOM 0 HG LEU A 31 5.877 7.748 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.461 7.977 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.382 6.279 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.882 7.180 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.811 9.790 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.209 9.062 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.266 9.423 2.863 1.00 0.00 H new ATOM 525 N GLN A 32 6.860 4.685 1.986 1.00 0.00 N ATOM 526 CA GLN A 32 8.303 4.700 2.122 1.00 0.00 C ATOM 527 C GLN A 32 8.812 6.114 1.895 1.00 0.00 C ATOM 528 O GLN A 32 8.846 6.602 0.765 1.00 0.00 O ATOM 529 CB GLN A 32 8.936 3.727 1.130 1.00 0.00 C ATOM 530 CG GLN A 32 10.443 3.867 1.018 1.00 0.00 C ATOM 531 CD GLN A 32 11.059 2.792 0.154 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.591 1.657 0.115 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.102 3.149 -0.564 1.00 0.00 N ATOM 0 H GLN A 32 6.521 4.216 1.146 1.00 0.00 H new ATOM 0 HA GLN A 32 8.580 4.382 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.696 2.707 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.491 3.883 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.684 4.846 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.884 3.826 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.461 4.102 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.552 2.473 -1.181 1.00 0.00 H new ATOM 542 N GLU A 33 9.173 6.776 2.983 1.00 0.00 N ATOM 543 CA GLU A 33 9.614 8.157 2.925 1.00 0.00 C ATOM 544 C GLU A 33 10.971 8.258 2.251 1.00 0.00 C ATOM 545 O GLU A 33 11.915 7.554 2.619 1.00 0.00 O ATOM 546 CB GLU A 33 9.677 8.747 4.331 1.00 0.00 C ATOM 547 CG GLU A 33 8.351 8.687 5.070 1.00 0.00 C ATOM 548 CD GLU A 33 8.455 9.205 6.488 1.00 0.00 C ATOM 549 OE1 GLU A 33 9.068 8.521 7.331 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.921 10.299 6.770 1.00 0.00 O ATOM 0 H GLU A 33 9.168 6.375 3.921 1.00 0.00 H new ATOM 0 HA GLU A 33 8.895 8.725 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.431 8.212 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.002 9.785 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.609 9.272 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.995 7.657 5.088 1.00 0.00 H new ATOM 557 N ALA A 34 11.067 9.155 1.280 1.00 0.00 N ATOM 558 CA ALA A 34 12.293 9.343 0.509 1.00 0.00 C ATOM 559 C ALA A 34 13.311 10.182 1.270 1.00 0.00 C ATOM 560 O ALA A 34 14.202 10.783 0.673 1.00 0.00 O ATOM 561 CB ALA A 34 11.973 10.006 -0.823 1.00 0.00 C ATOM 0 H ALA A 34 10.303 9.771 1.003 1.00 0.00 H new ATOM 0 HA ALA A 34 12.730 8.360 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.893 10.143 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.287 9.375 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.509 10.976 -0.644 1.00 0.00 H new ATOM 567 N ASP A 35 13.197 10.202 2.588 1.00 0.00 N ATOM 568 CA ASP A 35 14.090 11.004 3.403 1.00 0.00 C ATOM 569 C ASP A 35 14.192 10.463 4.820 1.00 0.00 C ATOM 570 O ASP A 35 15.278 10.111 5.281 1.00 0.00 O ATOM 571 CB ASP A 35 13.602 12.452 3.437 1.00 0.00 C ATOM 572 CG ASP A 35 14.459 13.333 4.320 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.494 13.834 3.837 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.088 13.549 5.492 1.00 0.00 O ATOM 0 H ASP A 35 12.499 9.675 3.112 1.00 0.00 H new ATOM 0 HA ASP A 35 15.082 10.960 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.597 12.854 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.573 12.477 3.795 1.00 0.00 H new ATOM 579 N GLY A 36 13.054 10.402 5.503 1.00 0.00 N ATOM 580 CA GLY A 36 13.035 9.984 6.893 1.00 0.00 C ATOM 581 C GLY A 36 13.542 8.574 7.100 1.00 0.00 C ATOM 582 O GLY A 36 14.248 8.297 8.070 1.00 0.00 O ATOM 0 H GLY A 36 12.140 10.636 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.644 10.672 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.016 10.056 7.273 1.00 0.00 H new ATOM 586 N ASP A 37 13.181 7.685 6.194 1.00 0.00 N ATOM 587 CA ASP A 37 13.583 6.290 6.295 1.00 0.00 C ATOM 588 C ASP A 37 14.593 5.949 5.208 1.00 0.00 C ATOM 589 O ASP A 37 15.739 5.605 5.485 1.00 0.00 O ATOM 590 CB ASP A 37 12.355 5.384 6.157 1.00 0.00 C ATOM 591 CG ASP A 37 12.656 3.920 6.429 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.499 3.331 5.724 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.018 3.347 7.337 1.00 0.00 O ATOM 0 H ASP A 37 12.609 7.902 5.378 1.00 0.00 H new ATOM 0 HA ASP A 37 14.045 6.130 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.582 5.723 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.950 5.484 5.150 1.00 0.00 H new ATOM 598 N CYS A 38 14.154 6.078 3.971 1.00 0.00 N ATOM 599 CA CYS A 38 14.922 5.616 2.830 1.00 0.00 C ATOM 600 C CYS A 38 15.401 6.802 1.993 1.00 0.00 C ATOM 601 O CYS A 38 15.103 7.950 2.315 1.00 0.00 O ATOM 602 CB CYS A 38 14.029 4.699 2.000 1.00 0.00 C ATOM 603 SG CYS A 38 14.910 3.502 0.947 1.00 0.00 S ATOM 0 H CYS A 38 13.259 6.504 3.729 1.00 0.00 H new ATOM 0 HA CYS A 38 15.805 5.073 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.372 4.150 2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.392 5.316 1.366 1.00 0.00 H new ATOM 608 N HIS A 39 16.155 6.531 0.932 1.00 0.00 N ATOM 609 CA HIS A 39 16.571 7.586 0.009 1.00 0.00 C ATOM 610 C HIS A 39 15.526 7.790 -1.078 1.00 0.00 C ATOM 611 O HIS A 39 15.350 8.895 -1.593 1.00 0.00 O ATOM 612 CB HIS A 39 17.919 7.262 -0.642 1.00 0.00 C ATOM 613 CG HIS A 39 19.094 7.400 0.276 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.735 8.595 0.500 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.757 6.477 1.009 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.742 8.403 1.329 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.780 7.125 1.655 1.00 0.00 N ATOM 0 H HIS A 39 16.489 5.598 0.690 1.00 0.00 H new ATOM 0 HA HIS A 39 16.675 8.501 0.591 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.889 6.242 -1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.063 7.920 -1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.524 5.424 1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.422 9.164 1.682 1.00 0.00 H new ATOM 0 HE2 HIS A 39 21.457 6.691 2.283 1.00 0.00 H new ATOM 626 N LEU A 40 14.832 6.716 -1.425 1.00 0.00 N ATOM 627 CA LEU A 40 13.809 6.772 -2.458 1.00 0.00 C ATOM 628 C LEU A 40 12.431 6.564 -1.850 1.00 0.00 C ATOM 629 O LEU A 40 12.305 5.988 -0.766 1.00 0.00 O ATOM 630 CB LEU A 40 14.055 5.717 -3.537 1.00 0.00 C ATOM 631 CG LEU A 40 13.987 4.268 -3.058 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.318 3.404 -4.111 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.379 3.740 -2.743 1.00 0.00 C ATOM 0 H LEU A 40 14.959 5.795 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 40 13.857 7.759 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.321 5.855 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.037 5.892 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 40 13.395 4.231 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.274 2.373 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.307 3.769 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.892 3.449 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.308 2.707 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.997 3.786 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.830 4.349 -1.960 1.00 0.00 H new ATOM 645 N GLN A 41 11.406 7.035 -2.544 1.00 0.00 N ATOM 646 CA GLN A 41 10.039 6.891 -2.076 1.00 0.00 C ATOM 647 C GLN A 41 9.360 5.718 -2.765 1.00 0.00 C ATOM 648 O GLN A 41 9.587 5.462 -3.950 1.00 0.00 O ATOM 649 CB GLN A 41 9.241 8.170 -2.337 1.00 0.00 C ATOM 650 CG GLN A 41 7.818 8.111 -1.809 1.00 0.00 C ATOM 651 CD GLN A 41 7.028 9.366 -2.113 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.379 9.469 -3.151 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.078 10.329 -1.206 1.00 0.00 N ATOM 0 H GLN A 41 11.497 7.521 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 41 10.069 6.705 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.757 9.012 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.215 8.361 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.309 7.252 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.841 7.954 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.629 10.202 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.565 11.198 -1.356 1.00 0.00 H new ATOM 662 N ALA A 42 8.525 5.017 -2.019 1.00 0.00 N ATOM 663 CA ALA A 42 7.771 3.899 -2.549 1.00 0.00 C ATOM 664 C ALA A 42 6.453 3.763 -1.809 1.00 0.00 C ATOM 665 O ALA A 42 6.358 4.096 -0.629 1.00 0.00 O ATOM 666 CB ALA A 42 8.568 2.611 -2.427 1.00 0.00 C ATOM 0 H ALA A 42 8.352 5.207 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 42 7.572 4.086 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.985 1.783 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.499 2.705 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.792 2.420 -1.378 1.00 0.00 H new ATOM 672 N PHE A 43 5.442 3.292 -2.500 1.00 0.00 N ATOM 673 CA PHE A 43 4.170 3.012 -1.873 1.00 0.00 C ATOM 674 C PHE A 43 4.076 1.530 -1.581 1.00 0.00 C ATOM 675 O PHE A 43 3.920 0.711 -2.486 1.00 0.00 O ATOM 676 CB PHE A 43 3.015 3.469 -2.753 1.00 0.00 C ATOM 677 CG PHE A 43 2.720 4.935 -2.631 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.897 5.396 -1.619 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.263 5.847 -3.519 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.619 6.742 -1.492 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.991 7.196 -3.397 1.00 0.00 C ATOM 682 CZ PHE A 43 2.168 7.644 -2.382 1.00 0.00 C ATOM 0 H PHE A 43 5.475 3.094 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 43 4.102 3.567 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.246 3.237 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.121 2.903 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.467 4.694 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.906 5.501 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.974 7.089 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.421 7.899 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.954 8.698 -2.285 1.00 0.00 H new ATOM 692 N VAL A 44 4.194 1.190 -0.317 1.00 0.00 N ATOM 693 CA VAL A 44 4.308 -0.193 0.087 1.00 0.00 C ATOM 694 C VAL A 44 3.015 -0.678 0.725 1.00 0.00 C ATOM 695 O VAL A 44 2.440 -0.009 1.588 1.00 0.00 O ATOM 696 CB VAL A 44 5.499 -0.366 1.047 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.668 -1.817 1.474 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.763 0.156 0.379 1.00 0.00 C ATOM 0 H VAL A 44 4.214 1.858 0.454 1.00 0.00 H new ATOM 0 HA VAL A 44 4.488 -0.803 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 44 5.305 0.210 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.518 -1.900 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.765 -2.154 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.842 -2.437 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.609 0.035 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.948 -0.405 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.638 1.212 0.139 1.00 0.00 H new ATOM 708 N LEU A 45 2.543 -1.827 0.271 1.00 0.00 N ATOM 709 CA LEU A 45 1.290 -2.374 0.754 1.00 0.00 C ATOM 710 C LEU A 45 1.554 -3.516 1.715 1.00 0.00 C ATOM 711 O LEU A 45 2.324 -4.433 1.419 1.00 0.00 O ATOM 712 CB LEU A 45 0.424 -2.831 -0.420 1.00 0.00 C ATOM 713 CG LEU A 45 0.064 -1.716 -1.400 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.892 -2.216 -2.468 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.533 -0.534 -0.657 1.00 0.00 C ATOM 0 H LEU A 45 3.011 -2.399 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 45 0.747 -1.597 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.949 -3.619 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.495 -3.269 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 45 0.978 -1.390 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.131 -1.402 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.425 -3.030 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.807 -2.576 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.785 0.253 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.434 -0.851 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.191 -0.154 0.064 1.00 0.00 H new ATOM 727 N HIS A 46 0.913 -3.458 2.868 1.00 0.00 N ATOM 728 CA HIS A 46 1.214 -4.389 3.935 1.00 0.00 C ATOM 729 C HIS A 46 0.030 -5.301 4.221 1.00 0.00 C ATOM 730 O HIS A 46 -0.986 -4.868 4.775 1.00 0.00 O ATOM 731 CB HIS A 46 1.602 -3.620 5.198 1.00 0.00 C ATOM 732 CG HIS A 46 2.576 -4.343 6.073 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.890 -3.960 6.197 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.425 -5.423 6.875 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.507 -4.766 7.036 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.642 -5.668 7.465 1.00 0.00 N ATOM 0 H HIS A 46 0.184 -2.779 3.087 1.00 0.00 H new ATOM 0 HA HIS A 46 2.050 -5.013 3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.031 -2.660 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.701 -3.407 5.773 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.321 -3.172 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.516 -5.988 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.546 -4.701 7.325 1.00 0.00 H new ATOM 745 N LEU A 47 0.164 -6.559 3.834 1.00 0.00 N ATOM 746 CA LEU A 47 -0.829 -7.564 4.153 1.00 0.00 C ATOM 747 C LEU A 47 -0.626 -8.012 5.589 1.00 0.00 C ATOM 748 O LEU A 47 0.400 -7.707 6.196 1.00 0.00 O ATOM 749 CB LEU A 47 -0.718 -8.783 3.226 1.00 0.00 C ATOM 750 CG LEU A 47 -1.061 -8.551 1.750 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.051 -7.794 1.033 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.332 -9.879 1.062 1.00 0.00 C ATOM 0 H LEU A 47 0.957 -6.907 3.295 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.818 -7.126 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.301 -9.164 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.373 -9.565 3.610 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.961 -7.937 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.224 -7.646 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.198 -6.825 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.976 -8.369 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.575 -9.703 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.446 -10.511 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.170 -10.377 1.550 1.00 0.00 H new ATOM 764 N ALA A 48 -1.586 -8.752 6.117 1.00 0.00 N ATOM 765 CA ALA A 48 -1.510 -9.264 7.483 1.00 0.00 C ATOM 766 C ALA A 48 -0.238 -10.077 7.719 1.00 0.00 C ATOM 767 O ALA A 48 0.217 -10.230 8.851 1.00 0.00 O ATOM 768 CB ALA A 48 -2.720 -10.131 7.764 1.00 0.00 C ATOM 0 H ALA A 48 -2.436 -9.016 5.619 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.489 -8.409 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.665 -10.514 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.627 -9.538 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.740 -10.966 7.063 1.00 0.00 H new ATOM 774 N GLN A 49 0.327 -10.592 6.641 1.00 0.00 N ATOM 775 CA GLN A 49 1.450 -11.506 6.727 1.00 0.00 C ATOM 776 C GLN A 49 2.511 -11.207 5.668 1.00 0.00 C ATOM 777 O GLN A 49 3.504 -11.929 5.559 1.00 0.00 O ATOM 778 CB GLN A 49 0.939 -12.936 6.555 1.00 0.00 C ATOM 779 CG GLN A 49 -0.068 -13.071 5.424 1.00 0.00 C ATOM 780 CD GLN A 49 -1.506 -12.927 5.875 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.859 -13.294 6.993 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.341 -12.364 5.014 1.00 0.00 N ATOM 0 H GLN A 49 0.022 -10.390 5.689 1.00 0.00 H new ATOM 0 HA GLN A 49 1.918 -11.382 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.784 -13.598 6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.479 -13.267 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.144 -12.316 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.060 -14.044 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.007 -12.073 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.318 -12.221 5.270 1.00 0.00 H new ATOM 791 N ARG A 50 2.316 -10.144 4.891 1.00 0.00 N ATOM 792 CA ARG A 50 3.190 -9.883 3.745 1.00 0.00 C ATOM 793 C ARG A 50 3.487 -8.395 3.589 1.00 0.00 C ATOM 794 O ARG A 50 2.732 -7.547 4.063 1.00 0.00 O ATOM 795 CB ARG A 50 2.559 -10.409 2.447 1.00 0.00 C ATOM 796 CG ARG A 50 2.270 -11.904 2.453 1.00 0.00 C ATOM 797 CD ARG A 50 1.735 -12.381 1.110 1.00 0.00 C ATOM 798 NE ARG A 50 2.726 -12.239 0.042 1.00 0.00 N ATOM 799 CZ ARG A 50 2.453 -12.392 -1.257 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.226 -12.705 -1.654 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.413 -12.240 -2.161 1.00 0.00 N ATOM 0 H ARG A 50 1.574 -9.458 5.028 1.00 0.00 H new ATOM 0 HA ARG A 50 4.127 -10.407 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.628 -9.871 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.226 -10.183 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.182 -12.450 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.545 -12.131 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.436 -13.426 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.841 -11.812 0.853 1.00 0.00 H new ATOM 0 HE ARG A 50 3.684 -12.009 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.484 -12.830 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.025 -12.820 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.360 -12.006 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.203 -12.357 -3.152 1.00 0.00 H new ATOM 815 N SER A 51 4.589 -8.094 2.916 1.00 0.00 N ATOM 816 CA SER A 51 4.957 -6.721 2.601 1.00 0.00 C ATOM 817 C SER A 51 5.399 -6.638 1.143 1.00 0.00 C ATOM 818 O SER A 51 6.303 -7.363 0.722 1.00 0.00 O ATOM 819 CB SER A 51 6.093 -6.251 3.512 1.00 0.00 C ATOM 820 OG SER A 51 5.814 -6.520 4.878 1.00 0.00 O ATOM 0 H SER A 51 5.250 -8.791 2.574 1.00 0.00 H new ATOM 0 HA SER A 51 4.093 -6.076 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.020 -6.748 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.250 -5.181 3.376 1.00 0.00 H new ATOM 0 HG SER A 51 6.560 -6.208 5.432 1.00 0.00 H new ATOM 826 N ILE A 52 4.763 -5.770 0.372 1.00 0.00 N ATOM 827 CA ILE A 52 5.070 -5.650 -1.047 1.00 0.00 C ATOM 828 C ILE A 52 5.403 -4.206 -1.397 1.00 0.00 C ATOM 829 O ILE A 52 4.667 -3.291 -1.033 1.00 0.00 O ATOM 830 CB ILE A 52 3.893 -6.142 -1.917 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.546 -7.592 -1.560 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.239 -6.024 -3.395 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.350 -8.142 -2.308 1.00 0.00 C ATOM 0 H ILE A 52 4.033 -5.139 0.703 1.00 0.00 H new ATOM 0 HA ILE A 52 5.936 -6.278 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 52 3.023 -5.516 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.411 -8.223 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.352 -7.655 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.399 -6.375 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.448 -4.982 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.118 -6.630 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.170 -9.172 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.471 -7.537 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.547 -8.114 -3.380 1.00 0.00 H new ATOM 845 N CYS A 53 6.489 -4.008 -2.131 1.00 0.00 N ATOM 846 CA CYS A 53 6.972 -2.668 -2.418 1.00 0.00 C ATOM 847 C CYS A 53 6.582 -2.248 -3.829 1.00 0.00 C ATOM 848 O CYS A 53 6.936 -2.901 -4.812 1.00 0.00 O ATOM 849 CB CYS A 53 8.494 -2.621 -2.267 1.00 0.00 C ATOM 850 SG CYS A 53 9.104 -3.269 -0.676 1.00 0.00 S ATOM 0 H CYS A 53 7.050 -4.757 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 53 6.516 -1.976 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.947 -3.192 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.828 -1.589 -2.379 1.00 0.00 H new ATOM 855 N ILE A 54 5.849 -1.153 -3.920 1.00 0.00 N ATOM 856 CA ILE A 54 5.340 -0.674 -5.189 1.00 0.00 C ATOM 857 C ILE A 54 5.899 0.709 -5.521 1.00 0.00 C ATOM 858 O ILE A 54 5.945 1.599 -4.671 1.00 0.00 O ATOM 859 CB ILE A 54 3.795 -0.638 -5.171 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.225 -2.051 -5.327 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.250 0.289 -6.244 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.711 -2.100 -5.337 1.00 0.00 C ATOM 0 H ILE A 54 5.592 -0.575 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 54 5.667 -1.366 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 54 3.479 -0.243 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.600 -2.484 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.594 -2.674 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.161 0.291 -6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.621 1.300 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.576 -0.058 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.381 -3.133 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.328 -1.698 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.333 -1.505 -6.168 1.00 0.00 H new ATOM 874 N HIS A 55 6.347 0.871 -6.758 1.00 0.00 N ATOM 875 CA HIS A 55 6.804 2.165 -7.252 1.00 0.00 C ATOM 876 C HIS A 55 5.609 3.103 -7.440 1.00 0.00 C ATOM 877 O HIS A 55 4.580 2.686 -7.967 1.00 0.00 O ATOM 878 CB HIS A 55 7.546 1.980 -8.588 1.00 0.00 C ATOM 879 CG HIS A 55 8.049 3.261 -9.188 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.312 4.004 -10.080 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.204 3.942 -9.000 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.981 5.088 -10.414 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.134 5.076 -9.773 1.00 0.00 N ATOM 0 H HIS A 55 6.404 0.117 -7.443 1.00 0.00 H new ATOM 0 HA HIS A 55 7.486 2.605 -6.525 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.389 1.307 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.877 1.495 -9.299 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.387 3.753 -10.430 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.025 3.649 -8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.644 5.855 -11.095 1.00 0.00 H new ATOM 892 N PRO A 56 5.722 4.370 -6.993 1.00 0.00 N ATOM 893 CA PRO A 56 4.674 5.386 -7.198 1.00 0.00 C ATOM 894 C PRO A 56 4.270 5.507 -8.670 1.00 0.00 C ATOM 895 O PRO A 56 5.015 5.100 -9.558 1.00 0.00 O ATOM 896 CB PRO A 56 5.336 6.679 -6.714 1.00 0.00 C ATOM 897 CG PRO A 56 6.366 6.233 -5.734 1.00 0.00 C ATOM 898 CD PRO A 56 6.868 4.907 -6.236 1.00 0.00 C ATOM 0 HA PRO A 56 3.753 5.141 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.787 7.226 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.610 7.346 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.178 6.957 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.939 6.136 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.748 5.024 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.151 4.248 -5.415 1.00 0.00 H new ATOM 906 N GLN A 57 3.090 6.060 -8.921 1.00 0.00 N ATOM 907 CA GLN A 57 2.548 6.163 -10.278 1.00 0.00 C ATOM 908 C GLN A 57 2.271 4.785 -10.867 1.00 0.00 C ATOM 909 O GLN A 57 2.302 4.588 -12.084 1.00 0.00 O ATOM 910 CB GLN A 57 3.465 6.979 -11.203 1.00 0.00 C ATOM 911 CG GLN A 57 3.236 8.477 -11.096 1.00 0.00 C ATOM 912 CD GLN A 57 3.658 9.045 -9.758 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.656 8.623 -9.172 1.00 0.00 O ATOM 914 NE2 GLN A 57 2.876 9.979 -9.247 1.00 0.00 N ATOM 0 H GLN A 57 2.483 6.448 -8.199 1.00 0.00 H new ATOM 0 HA GLN A 57 1.601 6.698 -10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.505 6.758 -10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.304 6.665 -12.234 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.788 8.981 -11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.179 8.690 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.059 10.300 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.089 10.379 -8.333 1.00 0.00 H new ATOM 923 N ASN A 58 1.991 3.839 -9.983 1.00 0.00 N ATOM 924 CA ASN A 58 1.584 2.501 -10.383 1.00 0.00 C ATOM 925 C ASN A 58 0.081 2.360 -10.201 1.00 0.00 C ATOM 926 O ASN A 58 -0.442 2.596 -9.109 1.00 0.00 O ATOM 927 CB ASN A 58 2.326 1.443 -9.554 1.00 0.00 C ATOM 928 CG ASN A 58 2.062 0.011 -10.001 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.962 -0.346 -10.425 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.083 -0.824 -9.916 1.00 0.00 N ATOM 0 H ASN A 58 2.039 3.976 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 58 1.837 2.346 -11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.397 1.639 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.036 1.546 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.973 -1.796 -10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.981 -0.497 -9.560 1.00 0.00 H new ATOM 937 N PRO A 59 -0.629 1.985 -11.277 1.00 0.00 N ATOM 938 CA PRO A 59 -2.081 1.807 -11.256 1.00 0.00 C ATOM 939 C PRO A 59 -2.561 0.958 -10.081 1.00 0.00 C ATOM 940 O PRO A 59 -3.580 1.265 -9.473 1.00 0.00 O ATOM 941 CB PRO A 59 -2.365 1.092 -12.576 1.00 0.00 C ATOM 942 CG PRO A 59 -1.276 1.537 -13.483 1.00 0.00 C ATOM 943 CD PRO A 59 -0.063 1.722 -12.614 1.00 0.00 C ATOM 0 HA PRO A 59 -2.600 2.759 -11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.359 0.009 -12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.345 1.361 -12.970 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.089 0.797 -14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.542 2.467 -13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.569 0.834 -12.614 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.554 2.552 -12.958 1.00 0.00 H new ATOM 951 N SER A 60 -1.808 -0.088 -9.743 1.00 0.00 N ATOM 952 CA SER A 60 -2.208 -1.004 -8.679 1.00 0.00 C ATOM 953 C SER A 60 -2.272 -0.289 -7.330 1.00 0.00 C ATOM 954 O SER A 60 -3.062 -0.659 -6.465 1.00 0.00 O ATOM 955 CB SER A 60 -1.245 -2.192 -8.593 1.00 0.00 C ATOM 956 OG SER A 60 -1.728 -3.187 -7.701 1.00 0.00 O ATOM 0 H SER A 60 -0.921 -0.321 -10.190 1.00 0.00 H new ATOM 0 HA SER A 60 -3.204 -1.374 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.109 -2.625 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.267 -1.846 -8.259 1.00 0.00 H new ATOM 0 HG SER A 60 -1.081 -3.320 -6.977 1.00 0.00 H new ATOM 962 N LEU A 61 -1.446 0.733 -7.158 1.00 0.00 N ATOM 963 CA LEU A 61 -1.407 1.479 -5.910 1.00 0.00 C ATOM 964 C LEU A 61 -2.557 2.485 -5.865 1.00 0.00 C ATOM 965 O LEU A 61 -3.291 2.558 -4.881 1.00 0.00 O ATOM 966 CB LEU A 61 -0.052 2.187 -5.769 1.00 0.00 C ATOM 967 CG LEU A 61 0.384 2.539 -4.338 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.501 3.615 -3.734 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.386 1.299 -3.454 1.00 0.00 C ATOM 0 H LEU A 61 -0.793 1.064 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.524 0.790 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.714 1.552 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.083 3.106 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 61 1.399 2.932 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.163 3.838 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.444 4.517 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.532 3.263 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.698 1.571 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.617 0.874 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.079 0.563 -3.861 1.00 0.00 H new ATOM 981 N SER A 62 -2.719 3.248 -6.938 1.00 0.00 N ATOM 982 CA SER A 62 -3.787 4.239 -7.013 1.00 0.00 C ATOM 983 C SER A 62 -5.160 3.563 -6.955 1.00 0.00 C ATOM 984 O SER A 62 -6.040 3.954 -6.172 1.00 0.00 O ATOM 985 CB SER A 62 -3.646 5.055 -8.297 1.00 0.00 C ATOM 986 OG SER A 62 -2.352 5.629 -8.383 1.00 0.00 O ATOM 0 H SER A 62 -2.127 3.201 -7.767 1.00 0.00 H new ATOM 0 HA SER A 62 -3.705 4.908 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.825 4.416 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.401 5.841 -8.320 1.00 0.00 H new ATOM 0 HG SER A 62 -2.278 6.147 -9.212 1.00 0.00 H new ATOM 992 N GLN A 63 -5.334 2.532 -7.770 1.00 0.00 N ATOM 993 CA GLN A 63 -6.564 1.757 -7.770 1.00 0.00 C ATOM 994 C GLN A 63 -6.794 1.129 -6.405 1.00 0.00 C ATOM 995 O GLN A 63 -7.931 0.896 -6.010 1.00 0.00 O ATOM 996 CB GLN A 63 -6.529 0.680 -8.853 1.00 0.00 C ATOM 997 CG GLN A 63 -6.667 1.238 -10.262 1.00 0.00 C ATOM 998 CD GLN A 63 -6.488 0.189 -11.347 1.00 0.00 C ATOM 999 OE1 GLN A 63 -6.071 0.502 -12.464 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.781 -1.062 -11.028 1.00 0.00 N ATOM 0 H GLN A 63 -4.635 2.213 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.392 2.432 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.591 0.130 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.333 -0.034 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.650 1.696 -10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.930 2.028 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.124 -1.283 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.664 -1.805 -11.717 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.715 0.865 -5.680 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.832 0.295 -4.350 1.00 0.00 C ATOM 1011 C TRP A 64 -6.485 1.278 -3.386 1.00 0.00 C ATOM 1012 O TRP A 64 -7.225 0.865 -2.505 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.478 -0.176 -3.807 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.579 -0.774 -2.437 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.788 -0.502 -1.357 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.555 -1.723 -1.989 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.211 -1.225 -0.269 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.295 -1.976 -0.633 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.626 -2.380 -2.604 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.068 -2.853 0.117 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.389 -3.247 -1.859 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.109 -3.474 -0.513 1.00 0.00 C ATOM 0 H TRP A 64 -4.758 1.036 -5.989 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.474 -0.582 -4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.054 -0.912 -4.490 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.789 0.668 -3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.952 0.182 -1.359 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.787 -1.205 0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.850 -2.209 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.854 -3.037 1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.218 -3.760 -2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.730 -4.158 0.046 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.240 2.568 -3.555 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.917 3.564 -2.730 1.00 0.00 C ATOM 1035 C PHE A 65 -8.425 3.460 -2.918 1.00 0.00 C ATOM 1036 O PHE A 65 -9.194 3.553 -1.959 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.444 4.979 -3.060 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.105 5.326 -2.470 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.938 5.394 -1.096 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.021 5.593 -3.286 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.715 5.724 -0.548 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.794 5.923 -2.743 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.641 5.988 -1.373 1.00 0.00 C ATOM 0 H PHE A 65 -5.590 2.948 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.667 3.362 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.393 5.091 -4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.185 5.693 -2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.775 5.186 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.135 5.543 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.599 5.775 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.955 6.130 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.682 6.245 -0.947 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.847 3.235 -4.155 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.267 3.070 -4.448 1.00 0.00 C ATOM 1055 C GLU A 66 -10.758 1.691 -3.985 1.00 0.00 C ATOM 1056 O GLU A 66 -11.825 1.557 -3.370 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.516 3.251 -5.947 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.992 4.574 -6.485 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.237 4.750 -7.971 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.655 3.985 -8.772 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.002 5.663 -8.347 1.00 0.00 O ATOM 0 H GLU A 66 -8.233 3.163 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.827 3.831 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.042 2.432 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.586 3.185 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.467 5.393 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.922 4.641 -6.289 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.954 0.670 -4.263 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.297 -0.705 -3.918 1.00 0.00 C ATOM 1070 C HIS A 67 -10.360 -0.904 -2.407 1.00 0.00 C ATOM 1071 O HIS A 67 -11.259 -1.570 -1.913 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.295 -1.689 -4.530 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.535 -1.992 -5.978 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.391 -3.256 -6.512 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.890 -1.190 -7.012 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.649 -3.217 -7.804 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.952 -1.977 -8.132 1.00 0.00 N ATOM 0 H HIS A 67 -9.053 0.771 -4.730 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.286 -0.903 -4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.290 -1.283 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.327 -2.621 -3.965 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.126 -4.090 -5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.087 -0.129 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.617 -4.059 -8.480 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.414 -0.324 -1.677 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.387 -0.469 -0.226 1.00 0.00 C ATOM 1088 C GLN A 68 -10.609 0.197 0.382 1.00 0.00 C ATOM 1089 O GLN A 68 -11.170 -0.296 1.357 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.102 0.122 0.375 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.063 1.644 0.419 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.723 2.186 0.882 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -6.652 3.230 1.525 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.650 1.493 0.540 1.00 0.00 N ATOM 0 H GLN A 68 -8.661 0.247 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.402 -1.533 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.981 -0.261 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.249 -0.233 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.285 2.037 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.845 2.004 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.749 0.630 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.723 1.821 0.811 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.037 1.298 -0.232 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.219 2.027 0.218 1.00 0.00 C ATOM 1105 C GLU A 69 -13.442 1.107 0.255 1.00 0.00 C ATOM 1106 O GLU A 69 -14.328 1.264 1.095 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.472 3.227 -0.707 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.773 3.979 -0.440 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.859 4.579 0.953 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.031 5.450 1.280 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.769 4.192 1.716 1.00 0.00 O ATOM 0 H GLU A 69 -10.579 1.706 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.043 2.391 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.640 3.924 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.476 2.877 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.879 4.776 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.612 3.298 -0.585 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.473 0.128 -0.641 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.601 -0.797 -0.702 1.00 0.00 C ATOM 1120 C ARG A 70 -14.253 -2.159 -0.086 1.00 0.00 C ATOM 1121 O ARG A 70 -15.003 -3.123 -0.235 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.064 -0.965 -2.152 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.028 -1.611 -3.056 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.399 -1.480 -4.521 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.370 -0.090 -4.971 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.982 0.294 -6.186 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -13.552 -0.604 -7.070 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -14.011 1.582 -6.505 1.00 0.00 N ATOM 0 H ARG A 70 -12.740 -0.046 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.415 -0.373 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.972 -1.568 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.325 0.013 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.056 -1.148 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.928 -2.666 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.709 -2.071 -5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.395 -1.892 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.665 0.632 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.518 -1.592 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.256 -0.304 -7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.329 2.270 -5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.716 1.884 -7.433 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.121 -2.233 0.613 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.691 -3.476 1.262 1.00 0.00 C ATOM 1144 C LYS A 71 -12.141 -3.189 2.662 1.00 0.00 C ATOM 1145 O LYS A 71 -12.642 -2.308 3.368 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.599 -4.165 0.436 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.949 -4.392 -1.019 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.748 -4.934 -1.767 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.933 -4.850 -3.269 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.959 -5.801 -3.766 1.00 0.00 N ATOM 0 H LYS A 71 -12.483 -1.448 0.746 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.560 -4.130 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.691 -3.564 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.370 -5.127 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.781 -5.092 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.277 -3.456 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.858 -4.374 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.579 -5.972 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.221 -3.834 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.982 -5.055 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.494 -6.575 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.489 -6.192 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.614 -5.304 -4.403 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.117 -3.961 3.055 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.388 -3.751 4.301 1.00 0.00 C ATOM 1166 C LEU A 72 -11.269 -3.915 5.532 1.00 0.00 C ATOM 1167 O LEU A 72 -10.952 -3.382 6.595 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.719 -2.376 4.300 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.528 -2.216 3.344 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.291 -1.838 4.123 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.262 -3.488 2.554 1.00 0.00 C ATOM 0 H LEU A 72 -10.774 -4.752 2.509 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.622 -4.525 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.469 -1.627 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.381 -2.156 5.313 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.778 -1.426 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.450 -1.726 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.463 -0.896 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.066 -2.619 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.412 -3.333 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.041 -4.304 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.143 -3.740 1.963 1.00 0.00 H new