USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 31 THR OG1 : rot -69:sc= 0.234 USER MOD Set 1.2: A 32 ASN : amide:sc= -0.136 X(o=0.097,f=-0.34) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -47:sc= -1.01 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -22:sc= 0.316 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc=-0.00275 (180deg=-0.457) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -133:sc= -1.82 (180deg=-7.27!) USER MOD Single : A 49 ASN : amide:sc=-0.00663 X(o=-0.0066,f=0) USER MOD Single : A 50 ASN : amide:sc= 1.14 K(o=1.1,f=-0.023) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.12) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.894 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.002 -2.898 7.484 1.00 0.00 N ATOM 165 CA PRO A 14 -5.018 -1.441 7.324 1.00 0.00 C ATOM 166 C PRO A 14 -6.413 -0.907 7.018 1.00 0.00 C ATOM 167 O PRO A 14 -7.258 -1.623 6.482 1.00 0.00 O ATOM 168 CB PRO A 14 -4.082 -1.204 6.137 1.00 0.00 C ATOM 169 CG PRO A 14 -4.124 -2.475 5.361 1.00 0.00 C ATOM 170 CD PRO A 14 -4.308 -3.572 6.374 1.00 0.00 C ATOM 0 HA PRO A 14 -4.711 -0.927 8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.415 -0.360 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.069 -0.977 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.943 -2.466 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.204 -2.617 4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.898 -4.395 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.353 -3.990 6.692 1.00 0.00 H new ATOM 178 N SER A 15 -6.647 0.356 7.362 1.00 0.00 N ATOM 179 CA SER A 15 -7.942 0.984 7.126 1.00 0.00 C ATOM 180 C SER A 15 -7.930 1.782 5.825 1.00 0.00 C ATOM 181 O SER A 15 -6.871 2.055 5.261 1.00 0.00 O ATOM 182 CB SER A 15 -8.308 1.900 8.295 1.00 0.00 C ATOM 183 OG SER A 15 -7.284 2.849 8.540 1.00 0.00 O ATOM 0 H SER A 15 -5.958 0.964 7.804 1.00 0.00 H new ATOM 0 HA SER A 15 -8.690 0.196 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.243 2.417 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.476 1.302 9.191 1.00 0.00 H new ATOM 0 HG SER A 15 -7.543 3.423 9.291 1.00 0.00 H new ATOM 189 N GLY A 16 -9.117 2.151 5.354 1.00 0.00 N ATOM 190 CA GLY A 16 -9.222 2.913 4.123 1.00 0.00 C ATOM 191 C GLY A 16 -8.277 4.098 4.092 1.00 0.00 C ATOM 192 O GLY A 16 -7.590 4.327 3.097 1.00 0.00 O ATOM 0 H GLY A 16 -10.008 1.936 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.009 2.260 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.246 3.266 4.004 1.00 0.00 H new ATOM 196 N PHE A 17 -8.243 4.854 5.184 1.00 0.00 N ATOM 197 CA PHE A 17 -7.377 6.024 5.278 1.00 0.00 C ATOM 198 C PHE A 17 -5.923 5.647 5.011 1.00 0.00 C ATOM 199 O PHE A 17 -5.125 6.476 4.574 1.00 0.00 O ATOM 200 CB PHE A 17 -7.503 6.670 6.659 1.00 0.00 C ATOM 201 CG PHE A 17 -6.437 7.689 6.944 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.984 8.535 5.945 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.888 7.799 8.211 1.00 0.00 C ATOM 204 CE1 PHE A 17 -5.004 9.474 6.204 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.907 8.737 8.476 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.464 9.574 7.472 1.00 0.00 C ATOM 0 H PHE A 17 -8.805 4.678 6.017 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.694 6.740 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.480 7.146 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.463 5.891 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.402 8.460 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.230 7.145 9.000 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.661 10.129 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.488 8.815 9.468 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.697 10.306 7.677 1.00 0.00 H new ATOM 216 N PHE A 18 -5.586 4.389 5.278 1.00 0.00 N ATOM 217 CA PHE A 18 -4.228 3.901 5.069 1.00 0.00 C ATOM 218 C PHE A 18 -4.026 3.456 3.623 1.00 0.00 C ATOM 219 O PHE A 18 -3.090 3.893 2.952 1.00 0.00 O ATOM 220 CB PHE A 18 -3.929 2.739 6.018 1.00 0.00 C ATOM 221 CG PHE A 18 -2.577 2.121 5.802 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.385 1.173 4.809 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.499 2.486 6.591 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.143 0.602 4.607 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.254 1.919 6.394 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.076 0.975 5.401 1.00 0.00 C ATOM 0 H PHE A 18 -6.235 3.690 5.639 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.539 4.719 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.997 3.094 7.046 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.694 1.973 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.216 0.877 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.633 3.222 7.370 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.007 -0.135 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.579 2.214 7.016 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.896 0.530 5.246 1.00 0.00 H new ATOM 236 N LEU A 19 -4.910 2.585 3.150 1.00 0.00 N ATOM 237 CA LEU A 19 -4.830 2.079 1.784 1.00 0.00 C ATOM 238 C LEU A 19 -4.580 3.215 0.797 1.00 0.00 C ATOM 239 O LEU A 19 -3.796 3.073 -0.142 1.00 0.00 O ATOM 240 CB LEU A 19 -6.120 1.343 1.416 1.00 0.00 C ATOM 241 CG LEU A 19 -6.205 -0.120 1.852 1.00 0.00 C ATOM 242 CD1 LEU A 19 -6.161 -0.228 3.368 1.00 0.00 C ATOM 243 CD2 LEU A 19 -7.471 -0.766 1.307 1.00 0.00 C ATOM 0 H LEU A 19 -5.691 2.214 3.692 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.993 1.383 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.960 1.882 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.244 1.387 0.334 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.345 -0.651 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.223 -1.276 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.227 0.197 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.002 0.318 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.515 -1.807 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.343 -0.233 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.462 -0.721 0.218 1.00 0.00 H new ATOM 255 N PHE A 20 -5.249 4.342 1.017 1.00 0.00 N ATOM 256 CA PHE A 20 -5.098 5.502 0.147 1.00 0.00 C ATOM 257 C PHE A 20 -3.770 6.208 0.408 1.00 0.00 C ATOM 258 O PHE A 20 -3.122 6.697 -0.519 1.00 0.00 O ATOM 259 CB PHE A 20 -6.257 6.478 0.359 1.00 0.00 C ATOM 260 CG PHE A 20 -5.919 7.897 -0.001 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.043 8.343 -1.307 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.478 8.785 0.967 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.732 9.648 -1.641 1.00 0.00 C ATOM 264 CE2 PHE A 20 -5.166 10.091 0.640 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.295 10.523 -0.666 1.00 0.00 C ATOM 0 H PHE A 20 -5.901 4.476 1.790 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.108 5.155 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.109 6.153 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.567 6.440 1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.387 7.663 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.377 8.452 1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.831 9.983 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.822 10.773 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.054 11.544 -0.924 1.00 0.00 H new ATOM 275 N CYS A 21 -3.372 6.258 1.674 1.00 0.00 N ATOM 276 CA CYS A 21 -2.122 6.905 2.058 1.00 0.00 C ATOM 277 C CYS A 21 -0.924 6.163 1.474 1.00 0.00 C ATOM 278 O CYS A 21 0.101 6.769 1.161 1.00 0.00 O ATOM 279 CB CYS A 21 -2.004 6.969 3.582 1.00 0.00 C ATOM 280 SG CYS A 21 -1.257 5.501 4.327 1.00 0.00 S ATOM 0 H CYS A 21 -3.896 5.858 2.452 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.129 7.919 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.411 7.843 3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.997 7.113 4.007 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.806 4.434 3.828 1.00 0.00 H new ATOM 286 N SER A 22 -1.061 4.849 1.332 1.00 0.00 N ATOM 287 CA SER A 22 0.013 4.023 0.790 1.00 0.00 C ATOM 288 C SER A 22 -0.082 3.938 -0.730 1.00 0.00 C ATOM 289 O SER A 22 0.855 3.500 -1.397 1.00 0.00 O ATOM 290 CB SER A 22 -0.041 2.619 1.395 1.00 0.00 C ATOM 291 OG SER A 22 1.229 1.992 1.342 1.00 0.00 O ATOM 0 H SER A 22 -1.904 4.333 1.584 1.00 0.00 H new ATOM 0 HA SER A 22 0.964 4.488 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.378 2.678 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.771 2.015 0.856 1.00 0.00 H new ATOM 0 HG SER A 22 1.169 1.097 1.736 1.00 0.00 H new ATOM 297 N GLU A 23 -1.221 4.360 -1.271 1.00 0.00 N ATOM 298 CA GLU A 23 -1.438 4.330 -2.712 1.00 0.00 C ATOM 299 C GLU A 23 -1.048 5.661 -3.349 1.00 0.00 C ATOM 300 O GLU A 23 -0.679 5.717 -4.522 1.00 0.00 O ATOM 301 CB GLU A 23 -2.903 4.014 -3.023 1.00 0.00 C ATOM 302 CG GLU A 23 -3.200 3.905 -4.509 1.00 0.00 C ATOM 303 CD GLU A 23 -4.380 2.999 -4.803 1.00 0.00 C ATOM 304 OE1 GLU A 23 -5.488 3.286 -4.304 1.00 0.00 O ATOM 305 OE2 GLU A 23 -4.195 2.003 -5.534 1.00 0.00 O ATOM 0 H GLU A 23 -2.007 4.726 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.807 3.547 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.175 3.077 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.533 4.791 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.401 4.899 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.318 3.526 -5.025 1.00 0.00 H new ATOM 312 N PHE A 24 -1.134 6.732 -2.566 1.00 0.00 N ATOM 313 CA PHE A 24 -0.792 8.064 -3.053 1.00 0.00 C ATOM 314 C PHE A 24 0.633 8.438 -2.656 1.00 0.00 C ATOM 315 O PHE A 24 1.213 9.378 -3.200 1.00 0.00 O ATOM 316 CB PHE A 24 -1.775 9.099 -2.502 1.00 0.00 C ATOM 317 CG PHE A 24 -2.977 9.309 -3.378 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.904 8.295 -3.559 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.181 10.520 -4.019 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.011 8.485 -4.365 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.286 10.716 -4.826 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.203 9.697 -4.998 1.00 0.00 C ATOM 0 H PHE A 24 -1.437 6.704 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.857 8.054 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.107 8.783 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.257 10.050 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.760 7.346 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.468 11.321 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.725 7.686 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.432 11.664 -5.321 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.068 9.848 -5.626 1.00 0.00 H new ATOM 332 N ARG A 25 1.190 7.696 -1.705 1.00 0.00 N ATOM 333 CA ARG A 25 2.546 7.951 -1.234 1.00 0.00 C ATOM 334 C ARG A 25 3.528 8.000 -2.401 1.00 0.00 C ATOM 335 O ARG A 25 4.382 8.882 -2.490 1.00 0.00 O ATOM 336 CB ARG A 25 2.975 6.870 -0.239 1.00 0.00 C ATOM 337 CG ARG A 25 3.928 7.372 0.833 1.00 0.00 C ATOM 338 CD ARG A 25 3.960 6.437 2.032 1.00 0.00 C ATOM 339 NE ARG A 25 4.829 6.939 3.094 1.00 0.00 N ATOM 340 CZ ARG A 25 6.149 6.793 3.094 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.750 6.165 2.093 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.871 7.277 4.096 1.00 0.00 N ATOM 0 H ARG A 25 0.724 6.914 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 25 2.553 8.920 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.088 6.457 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.452 6.055 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.931 7.465 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.623 8.368 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.949 6.310 2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.306 5.453 1.715 1.00 0.00 H new ATOM 0 HE ARG A 25 4.398 7.428 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.198 5.792 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.764 6.054 2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.412 7.762 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.885 7.164 4.095 1.00 0.00 H new ATOM 356 N PRO A 26 3.405 7.029 -3.319 1.00 0.00 N ATOM 357 CA PRO A 26 4.272 6.940 -4.497 1.00 0.00 C ATOM 358 C PRO A 26 4.404 8.275 -5.223 1.00 0.00 C ATOM 359 O PRO A 26 5.511 8.736 -5.499 1.00 0.00 O ATOM 360 CB PRO A 26 3.559 5.917 -5.385 1.00 0.00 C ATOM 361 CG PRO A 26 2.776 5.074 -4.439 1.00 0.00 C ATOM 362 CD PRO A 26 2.409 5.945 -3.277 1.00 0.00 C ATOM 0 HA PRO A 26 5.291 6.659 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.909 6.407 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.273 5.318 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.882 4.680 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.364 4.218 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.394 6.331 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.455 5.396 -2.336 1.00 0.00 H new ATOM 370 N LYS A 27 3.267 8.891 -5.528 1.00 0.00 N ATOM 371 CA LYS A 27 3.255 10.175 -6.220 1.00 0.00 C ATOM 372 C LYS A 27 4.011 11.231 -5.421 1.00 0.00 C ATOM 373 O LYS A 27 4.927 11.874 -5.935 1.00 0.00 O ATOM 374 CB LYS A 27 1.815 10.635 -6.459 1.00 0.00 C ATOM 375 CG LYS A 27 1.013 9.691 -7.339 1.00 0.00 C ATOM 376 CD LYS A 27 -0.476 9.791 -7.053 1.00 0.00 C ATOM 377 CE LYS A 27 -1.240 8.625 -7.661 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.674 8.958 -7.883 1.00 0.00 N ATOM 0 H LYS A 27 2.342 8.522 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 27 3.753 10.046 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.311 10.738 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.830 11.623 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.199 9.923 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.348 8.667 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.640 9.813 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.862 10.729 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.781 8.345 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.166 7.759 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.161 8.138 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.119 9.201 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.746 9.768 -8.531 1.00 0.00 H new ATOM 392 N ILE A 28 3.623 11.404 -4.162 1.00 0.00 N ATOM 393 CA ILE A 28 4.267 12.380 -3.292 1.00 0.00 C ATOM 394 C ILE A 28 5.782 12.210 -3.301 1.00 0.00 C ATOM 395 O ILE A 28 6.528 13.189 -3.328 1.00 0.00 O ATOM 396 CB ILE A 28 3.757 12.266 -1.843 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.240 12.461 -1.796 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.455 13.284 -0.954 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.663 12.383 -0.400 1.00 0.00 C ATOM 0 H ILE A 28 2.866 10.881 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 28 4.013 13.366 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 28 3.988 11.268 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.993 13.430 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.765 11.703 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.084 13.191 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.530 13.102 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.252 14.289 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.584 12.530 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.879 11.404 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.110 13.158 0.222 1.00 0.00 H new ATOM 411 N LYS A 29 6.231 10.960 -3.279 1.00 0.00 N ATOM 412 CA LYS A 29 7.658 10.659 -3.287 1.00 0.00 C ATOM 413 C LYS A 29 8.267 10.949 -4.655 1.00 0.00 C ATOM 414 O LYS A 29 9.483 11.085 -4.787 1.00 0.00 O ATOM 415 CB LYS A 29 7.893 9.193 -2.913 1.00 0.00 C ATOM 416 CG LYS A 29 7.464 8.851 -1.497 1.00 0.00 C ATOM 417 CD LYS A 29 8.022 7.508 -1.055 1.00 0.00 C ATOM 418 CE LYS A 29 9.497 7.608 -0.697 1.00 0.00 C ATOM 419 NZ LYS A 29 10.085 6.275 -0.390 1.00 0.00 N ATOM 0 H LYS A 29 5.627 10.138 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 29 8.143 11.298 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.350 8.557 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.952 8.962 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.804 9.630 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.376 8.830 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.461 7.145 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.889 6.777 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.041 8.063 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.618 8.265 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.091 6.386 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.582 5.851 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.993 5.655 -1.220 1.00 0.00 H new ATOM 433 N SER A 30 7.414 11.044 -5.670 1.00 0.00 N ATOM 434 CA SER A 30 7.869 11.317 -7.028 1.00 0.00 C ATOM 435 C SER A 30 7.749 12.803 -7.354 1.00 0.00 C ATOM 436 O SER A 30 8.331 13.287 -8.325 1.00 0.00 O ATOM 437 CB SER A 30 7.059 10.496 -8.034 1.00 0.00 C ATOM 438 OG SER A 30 7.431 10.810 -9.365 1.00 0.00 O ATOM 0 H SER A 30 6.404 10.936 -5.577 1.00 0.00 H new ATOM 0 HA SER A 30 8.919 11.032 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.215 9.433 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.996 10.691 -7.895 1.00 0.00 H new ATOM 0 HG SER A 30 7.841 11.700 -9.389 1.00 0.00 H new ATOM 444 N THR A 31 6.990 13.523 -6.533 1.00 0.00 N ATOM 445 CA THR A 31 6.792 14.953 -6.733 1.00 0.00 C ATOM 446 C THR A 31 7.728 15.766 -5.847 1.00 0.00 C ATOM 447 O THR A 31 8.292 16.769 -6.280 1.00 0.00 O ATOM 448 CB THR A 31 5.337 15.365 -6.438 1.00 0.00 C ATOM 449 OG1 THR A 31 4.759 14.471 -5.480 1.00 0.00 O ATOM 450 CG2 THR A 31 4.505 15.359 -7.711 1.00 0.00 C ATOM 0 H THR A 31 6.503 13.139 -5.724 1.00 0.00 H new ATOM 0 HA THR A 31 7.015 15.160 -7.780 1.00 0.00 H new ATOM 0 HB THR A 31 5.344 16.376 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.632 13.590 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.482 15.653 -7.478 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.931 16.062 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.506 14.358 -8.141 1.00 0.00 H new ATOM 458 N ASN A 32 7.889 15.326 -4.603 1.00 0.00 N ATOM 459 CA ASN A 32 8.758 16.015 -3.655 1.00 0.00 C ATOM 460 C ASN A 32 10.132 15.353 -3.597 1.00 0.00 C ATOM 461 O ASN A 32 10.256 14.130 -3.520 1.00 0.00 O ATOM 462 CB ASN A 32 8.124 16.023 -2.263 1.00 0.00 C ATOM 463 CG ASN A 32 6.762 16.689 -2.252 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.622 17.835 -1.824 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.749 15.972 -2.724 1.00 0.00 N ATOM 0 H ASN A 32 7.430 14.496 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 32 8.883 17.043 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.027 14.998 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.785 16.542 -1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.809 16.367 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.911 15.026 -3.069 1.00 0.00 H new ATOM 472 N PRO A 33 11.188 16.178 -3.633 1.00 0.00 N ATOM 473 CA PRO A 33 12.572 15.695 -3.584 1.00 0.00 C ATOM 474 C PRO A 33 12.939 15.127 -2.218 1.00 0.00 C ATOM 475 O PRO A 33 12.909 15.834 -1.212 1.00 0.00 O ATOM 476 CB PRO A 33 13.396 16.951 -3.880 1.00 0.00 C ATOM 477 CG PRO A 33 12.527 18.084 -3.454 1.00 0.00 C ATOM 478 CD PRO A 33 11.114 17.646 -3.724 1.00 0.00 C ATOM 0 HA PRO A 33 12.745 14.880 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.337 16.946 -3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.646 17.020 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.670 18.310 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.767 18.991 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.419 18.059 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.774 17.971 -4.707 1.00 0.00 H new ATOM 486 N GLY A 34 13.287 13.844 -2.190 1.00 0.00 N ATOM 487 CA GLY A 34 13.656 13.202 -0.941 1.00 0.00 C ATOM 488 C GLY A 34 12.863 13.729 0.238 1.00 0.00 C ATOM 489 O GLY A 34 13.435 14.094 1.266 1.00 0.00 O ATOM 0 H GLY A 34 13.320 13.238 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.500 12.127 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.719 13.356 -0.757 1.00 0.00 H new ATOM 493 N ILE A 35 11.543 13.772 0.090 1.00 0.00 N ATOM 494 CA ILE A 35 10.671 14.260 1.151 1.00 0.00 C ATOM 495 C ILE A 35 10.819 13.418 2.414 1.00 0.00 C ATOM 496 O ILE A 35 11.058 12.212 2.345 1.00 0.00 O ATOM 497 CB ILE A 35 9.195 14.254 0.714 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.340 15.030 1.717 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.689 12.825 0.573 1.00 0.00 C ATOM 500 CD1 ILE A 35 7.060 15.578 1.125 1.00 0.00 C ATOM 0 H ILE A 35 11.054 13.475 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 35 10.974 15.285 1.362 1.00 0.00 H new ATOM 0 HB ILE A 35 9.118 14.744 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.093 14.376 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.927 15.855 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.644 12.838 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.283 12.301 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.778 12.312 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.505 16.116 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.299 16.258 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.452 14.756 0.747 1.00 0.00 H new ATOM 512 N SER A 36 10.675 14.061 3.568 1.00 0.00 N ATOM 513 CA SER A 36 10.794 13.373 4.848 1.00 0.00 C ATOM 514 C SER A 36 9.473 12.715 5.236 1.00 0.00 C ATOM 515 O SER A 36 8.401 13.169 4.837 1.00 0.00 O ATOM 516 CB SER A 36 11.229 14.352 5.940 1.00 0.00 C ATOM 517 OG SER A 36 11.954 13.689 6.961 1.00 0.00 O ATOM 0 H SER A 36 10.476 15.058 3.643 1.00 0.00 H new ATOM 0 HA SER A 36 11.551 12.596 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.846 15.138 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.352 14.836 6.369 1.00 0.00 H new ATOM 0 HG SER A 36 12.222 14.337 7.646 1.00 0.00 H new ATOM 523 N ILE A 37 9.560 11.643 6.016 1.00 0.00 N ATOM 524 CA ILE A 37 8.373 10.923 6.460 1.00 0.00 C ATOM 525 C ILE A 37 7.337 11.878 7.043 1.00 0.00 C ATOM 526 O ILE A 37 6.168 11.851 6.661 1.00 0.00 O ATOM 527 CB ILE A 37 8.723 9.856 7.514 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.603 8.767 6.898 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.454 9.252 8.097 1.00 0.00 C ATOM 530 CD1 ILE A 37 11.082 9.080 6.958 1.00 0.00 C ATOM 0 H ILE A 37 10.440 11.254 6.354 1.00 0.00 H new ATOM 0 HA ILE A 37 7.956 10.430 5.582 1.00 0.00 H new ATOM 0 HB ILE A 37 9.280 10.333 8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.418 7.826 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.312 8.622 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.717 8.500 8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.861 10.036 8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.873 8.787 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.645 8.265 6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.280 10.005 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.387 9.196 7.998 1.00 0.00 H new ATOM 542 N GLY A 38 7.775 12.724 7.971 1.00 0.00 N ATOM 543 CA GLY A 38 6.874 13.677 8.591 1.00 0.00 C ATOM 544 C GLY A 38 6.097 14.488 7.572 1.00 0.00 C ATOM 545 O GLY A 38 4.885 14.662 7.700 1.00 0.00 O ATOM 0 H GLY A 38 8.738 12.766 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.175 13.145 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.446 14.352 9.228 1.00 0.00 H new ATOM 549 N ASP A 39 6.797 14.987 6.559 1.00 0.00 N ATOM 550 CA ASP A 39 6.166 15.785 5.514 1.00 0.00 C ATOM 551 C ASP A 39 5.063 14.994 4.817 1.00 0.00 C ATOM 552 O ASP A 39 3.896 15.386 4.835 1.00 0.00 O ATOM 553 CB ASP A 39 7.207 16.241 4.491 1.00 0.00 C ATOM 554 CG ASP A 39 7.879 17.541 4.889 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.213 18.595 4.828 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.071 17.503 5.261 1.00 0.00 O ATOM 0 H ASP A 39 7.801 14.853 6.439 1.00 0.00 H new ATOM 0 HA ASP A 39 5.719 16.662 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.963 15.465 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.728 16.365 3.520 1.00 0.00 H new ATOM 561 N VAL A 40 5.441 13.878 4.202 1.00 0.00 N ATOM 562 CA VAL A 40 4.484 13.031 3.499 1.00 0.00 C ATOM 563 C VAL A 40 3.282 12.712 4.379 1.00 0.00 C ATOM 564 O VAL A 40 2.142 12.711 3.914 1.00 0.00 O ATOM 565 CB VAL A 40 5.134 11.713 3.039 1.00 0.00 C ATOM 566 CG1 VAL A 40 4.087 10.777 2.454 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.239 11.987 2.029 1.00 0.00 C ATOM 0 H VAL A 40 6.403 13.539 4.176 1.00 0.00 H new ATOM 0 HA VAL A 40 4.151 13.589 2.624 1.00 0.00 H new ATOM 0 HB VAL A 40 5.579 11.226 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.565 9.851 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.334 10.555 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.611 11.254 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.687 11.044 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.820 12.497 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.002 12.617 2.486 1.00 0.00 H new ATOM 577 N ALA A 41 3.543 12.443 5.654 1.00 0.00 N ATOM 578 CA ALA A 41 2.482 12.125 6.601 1.00 0.00 C ATOM 579 C ALA A 41 1.489 13.276 6.720 1.00 0.00 C ATOM 580 O ALA A 41 0.276 13.073 6.660 1.00 0.00 O ATOM 581 CB ALA A 41 3.072 11.791 7.963 1.00 0.00 C ATOM 0 H ALA A 41 4.481 12.439 6.055 1.00 0.00 H new ATOM 0 HA ALA A 41 1.945 11.254 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.268 11.556 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.736 10.931 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.636 12.647 8.335 1.00 0.00 H new ATOM 587 N LYS A 42 2.012 14.486 6.890 1.00 0.00 N ATOM 588 CA LYS A 42 1.172 15.671 7.018 1.00 0.00 C ATOM 589 C LYS A 42 0.251 15.818 5.811 1.00 0.00 C ATOM 590 O LYS A 42 -0.958 15.998 5.957 1.00 0.00 O ATOM 591 CB LYS A 42 2.040 16.923 7.165 1.00 0.00 C ATOM 592 CG LYS A 42 1.310 18.100 7.788 1.00 0.00 C ATOM 593 CD LYS A 42 2.271 19.211 8.175 1.00 0.00 C ATOM 594 CE LYS A 42 2.543 20.144 7.005 1.00 0.00 C ATOM 595 NZ LYS A 42 3.710 19.694 6.196 1.00 0.00 N ATOM 0 H LYS A 42 3.014 14.672 6.942 1.00 0.00 H new ATOM 0 HA LYS A 42 0.557 15.555 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.910 16.682 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.411 17.215 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.572 18.485 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.765 17.765 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.855 19.780 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.209 18.778 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.659 20.197 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.727 21.151 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.137 20.513 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.415 19.252 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.394 19.003 5.486 1.00 0.00 H new ATOM 609 N LYS A 43 0.830 15.739 4.617 1.00 0.00 N ATOM 610 CA LYS A 43 0.062 15.860 3.384 1.00 0.00 C ATOM 611 C LYS A 43 -1.019 14.786 3.309 1.00 0.00 C ATOM 612 O LYS A 43 -2.208 15.093 3.210 1.00 0.00 O ATOM 613 CB LYS A 43 0.987 15.753 2.170 1.00 0.00 C ATOM 614 CG LYS A 43 1.606 17.078 1.759 1.00 0.00 C ATOM 615 CD LYS A 43 2.741 16.880 0.768 1.00 0.00 C ATOM 616 CE LYS A 43 2.219 16.720 -0.652 1.00 0.00 C ATOM 617 NZ LYS A 43 1.992 18.036 -1.311 1.00 0.00 N ATOM 0 H LYS A 43 1.830 15.592 4.478 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.420 16.837 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.783 15.043 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.424 15.348 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.841 17.716 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.979 17.596 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.419 17.733 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.319 15.998 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.931 16.139 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.286 16.157 -0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.637 17.884 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.293 18.581 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.887 18.563 -1.351 1.00 0.00 H new ATOM 631 N LEU A 44 -0.599 13.527 3.357 1.00 0.00 N ATOM 632 CA LEU A 44 -1.532 12.406 3.296 1.00 0.00 C ATOM 633 C LEU A 44 -2.792 12.702 4.103 1.00 0.00 C ATOM 634 O LEU A 44 -3.878 12.851 3.545 1.00 0.00 O ATOM 635 CB LEU A 44 -0.865 11.133 3.818 1.00 0.00 C ATOM 636 CG LEU A 44 0.097 10.436 2.856 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.759 9.245 3.532 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.634 9.997 1.595 1.00 0.00 C ATOM 0 H LEU A 44 0.381 13.256 3.438 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.817 12.258 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.320 11.380 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.646 10.425 4.095 1.00 0.00 H new ATOM 0 HG LEU A 44 0.875 11.146 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.440 8.762 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.317 9.586 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.005 8.533 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.066 9.503 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.433 9.304 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.060 10.869 1.099 1.00 0.00 H new ATOM 650 N GLY A 45 -2.638 12.788 5.421 1.00 0.00 N ATOM 651 CA GLY A 45 -3.771 13.067 6.284 1.00 0.00 C ATOM 652 C GLY A 45 -4.735 14.063 5.670 1.00 0.00 C ATOM 653 O GLY A 45 -5.926 13.784 5.542 1.00 0.00 O ATOM 0 H GLY A 45 -1.749 12.669 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.300 12.138 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.411 13.454 7.237 1.00 0.00 H new ATOM 657 N GLU A 46 -4.219 15.228 5.291 1.00 0.00 N ATOM 658 CA GLU A 46 -5.044 16.269 4.690 1.00 0.00 C ATOM 659 C GLU A 46 -5.779 15.739 3.461 1.00 0.00 C ATOM 660 O GLU A 46 -6.993 15.894 3.336 1.00 0.00 O ATOM 661 CB GLU A 46 -4.184 17.473 4.303 1.00 0.00 C ATOM 662 CG GLU A 46 -4.029 18.494 5.418 1.00 0.00 C ATOM 663 CD GLU A 46 -5.164 19.499 5.450 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.289 20.284 4.487 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.928 19.500 6.438 1.00 0.00 O ATOM 0 H GLU A 46 -3.234 15.474 5.390 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.783 16.582 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.197 17.122 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.626 17.961 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.980 17.976 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.084 19.023 5.293 1.00 0.00 H new ATOM 672 N MET A 47 -5.032 15.114 2.557 1.00 0.00 N ATOM 673 CA MET A 47 -5.612 14.561 1.338 1.00 0.00 C ATOM 674 C MET A 47 -6.797 13.657 1.662 1.00 0.00 C ATOM 675 O MET A 47 -7.786 13.629 0.930 1.00 0.00 O ATOM 676 CB MET A 47 -4.556 13.777 0.556 1.00 0.00 C ATOM 677 CG MET A 47 -3.284 14.566 0.294 1.00 0.00 C ATOM 678 SD MET A 47 -2.449 14.055 -1.221 1.00 0.00 S ATOM 679 CE MET A 47 -2.397 12.279 -0.995 1.00 0.00 C ATOM 0 H MET A 47 -4.025 14.978 2.645 1.00 0.00 H new ATOM 0 HA MET A 47 -5.967 15.390 0.725 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.305 12.871 1.108 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.981 13.462 -0.397 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.526 15.627 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.605 14.443 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.395 11.913 -1.220 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.649 12.036 0.037 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.115 11.806 -1.664 1.00 0.00 H new ATOM 689 N TRP A 48 -6.690 12.920 2.762 1.00 0.00 N ATOM 690 CA TRP A 48 -7.754 12.015 3.182 1.00 0.00 C ATOM 691 C TRP A 48 -9.001 12.792 3.587 1.00 0.00 C ATOM 692 O TRP A 48 -10.057 12.652 2.972 1.00 0.00 O ATOM 693 CB TRP A 48 -7.280 11.143 4.345 1.00 0.00 C ATOM 694 CG TRP A 48 -8.355 10.261 4.903 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.991 10.402 6.104 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.920 9.100 4.283 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.916 9.399 6.267 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.892 8.588 5.163 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.700 8.445 3.068 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.641 7.452 4.866 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.443 7.318 2.775 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.404 6.831 3.670 1.00 0.00 C ATOM 0 H TRP A 48 -5.878 12.931 3.379 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.007 11.374 2.337 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.449 10.523 4.009 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.898 11.785 5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.795 11.187 6.820 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.522 9.278 7.078 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.962 8.814 2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.382 7.075 5.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.280 6.803 1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.969 5.948 3.411 1.00 0.00 H new ATOM 713 N ASN A 49 -8.872 13.610 4.626 1.00 0.00 N ATOM 714 CA ASN A 49 -9.990 14.409 5.114 1.00 0.00 C ATOM 715 C ASN A 49 -10.693 15.121 3.962 1.00 0.00 C ATOM 716 O ASN A 49 -11.913 15.281 3.970 1.00 0.00 O ATOM 717 CB ASN A 49 -9.503 15.434 6.141 1.00 0.00 C ATOM 718 CG ASN A 49 -10.648 16.141 6.840 1.00 0.00 C ATOM 719 OD1 ASN A 49 -10.770 17.364 6.771 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.492 15.372 7.517 1.00 0.00 N ATOM 0 H ASN A 49 -8.004 13.737 5.147 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.703 13.737 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.881 14.933 6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.874 16.172 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.282 15.791 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.351 14.362 7.546 1.00 0.00 H new ATOM 727 N ASN A 50 -9.914 15.546 2.973 1.00 0.00 N ATOM 728 CA ASN A 50 -10.461 16.241 1.814 1.00 0.00 C ATOM 729 C ASN A 50 -11.391 15.327 1.021 1.00 0.00 C ATOM 730 O ASN A 50 -12.474 15.738 0.601 1.00 0.00 O ATOM 731 CB ASN A 50 -9.331 16.742 0.913 1.00 0.00 C ATOM 732 CG ASN A 50 -8.860 18.132 1.295 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.470 19.132 0.915 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.770 18.201 2.051 1.00 0.00 N ATOM 0 H ASN A 50 -8.902 15.421 2.951 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.037 17.095 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.492 16.049 0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.671 16.748 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.406 19.109 2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.297 17.346 2.343 1.00 0.00 H new ATOM 741 N LEU A 51 -10.962 14.087 0.819 1.00 0.00 N ATOM 742 CA LEU A 51 -11.756 13.113 0.077 1.00 0.00 C ATOM 743 C LEU A 51 -13.220 13.168 0.501 1.00 0.00 C ATOM 744 O LEU A 51 -13.536 13.554 1.625 1.00 0.00 O ATOM 745 CB LEU A 51 -11.203 11.704 0.293 1.00 0.00 C ATOM 746 CG LEU A 51 -9.834 11.417 -0.327 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.188 10.213 0.341 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.964 11.192 -1.826 1.00 0.00 C ATOM 0 H LEU A 51 -10.068 13.731 1.158 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.694 13.362 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.139 11.521 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.919 10.988 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.194 12.284 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.215 10.024 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.060 10.413 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.826 9.339 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.981 10.989 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.621 10.342 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.384 12.083 -2.293 1.00 0.00 H new ATOM 760 N ASN A 52 -14.108 12.777 -0.407 1.00 0.00 N ATOM 761 CA ASN A 52 -15.540 12.780 -0.126 1.00 0.00 C ATOM 762 C ASN A 52 -16.017 11.389 0.280 1.00 0.00 C ATOM 763 O ASN A 52 -15.354 10.389 0.004 1.00 0.00 O ATOM 764 CB ASN A 52 -16.320 13.263 -1.351 1.00 0.00 C ATOM 765 CG ASN A 52 -15.985 14.694 -1.722 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.952 15.578 -0.866 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.736 14.930 -3.005 1.00 0.00 N ATOM 0 H ASN A 52 -13.862 12.454 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.721 13.463 0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.103 12.611 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.389 13.183 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.506 15.874 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.774 14.167 -3.681 1.00 0.00 H new ATOM 774 N ASP A 53 -17.172 11.334 0.934 1.00 0.00 N ATOM 775 CA ASP A 53 -17.740 10.066 1.377 1.00 0.00 C ATOM 776 C ASP A 53 -17.824 9.075 0.220 1.00 0.00 C ATOM 777 O ASP A 53 -17.887 7.864 0.430 1.00 0.00 O ATOM 778 CB ASP A 53 -19.129 10.287 1.978 1.00 0.00 C ATOM 779 CG ASP A 53 -19.114 11.287 3.117 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.196 11.212 3.960 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.022 12.144 3.166 1.00 0.00 O ATOM 0 H ASP A 53 -17.733 12.153 1.169 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.084 9.650 2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.807 10.637 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.521 9.336 2.338 1.00 0.00 H new ATOM 786 N SER A 54 -17.826 9.599 -1.002 1.00 0.00 N ATOM 787 CA SER A 54 -17.908 8.761 -2.192 1.00 0.00 C ATOM 788 C SER A 54 -16.519 8.320 -2.643 1.00 0.00 C ATOM 789 O SER A 54 -16.363 7.279 -3.281 1.00 0.00 O ATOM 790 CB SER A 54 -18.609 9.513 -3.325 1.00 0.00 C ATOM 791 OG SER A 54 -20.017 9.385 -3.227 1.00 0.00 O ATOM 0 H SER A 54 -17.772 10.599 -1.193 1.00 0.00 H new ATOM 0 HA SER A 54 -18.489 7.873 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.333 10.567 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.271 9.126 -4.286 1.00 0.00 H new ATOM 0 HG SER A 54 -20.442 9.876 -3.961 1.00 0.00 H new ATOM 797 N GLU A 55 -15.512 9.121 -2.306 1.00 0.00 N ATOM 798 CA GLU A 55 -14.136 8.814 -2.676 1.00 0.00 C ATOM 799 C GLU A 55 -13.563 7.719 -1.782 1.00 0.00 C ATOM 800 O GLU A 55 -12.782 6.880 -2.231 1.00 0.00 O ATOM 801 CB GLU A 55 -13.267 10.070 -2.584 1.00 0.00 C ATOM 802 CG GLU A 55 -13.556 11.092 -3.671 1.00 0.00 C ATOM 803 CD GLU A 55 -12.983 10.689 -5.016 1.00 0.00 C ATOM 804 OE1 GLU A 55 -13.522 9.745 -5.631 1.00 0.00 O ATOM 805 OE2 GLU A 55 -11.996 11.316 -5.453 1.00 0.00 O ATOM 0 H GLU A 55 -15.624 9.986 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.136 8.455 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.418 10.536 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.218 9.780 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.634 11.223 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.141 12.056 -3.378 1.00 0.00 H new ATOM 812 N LYS A 56 -13.955 7.734 -0.512 1.00 0.00 N ATOM 813 CA LYS A 56 -13.483 6.743 0.447 1.00 0.00 C ATOM 814 C LYS A 56 -14.224 5.421 0.274 1.00 0.00 C ATOM 815 O LYS A 56 -13.723 4.365 0.657 1.00 0.00 O ATOM 816 CB LYS A 56 -13.666 7.259 1.876 1.00 0.00 C ATOM 817 CG LYS A 56 -12.875 8.522 2.173 1.00 0.00 C ATOM 818 CD LYS A 56 -13.485 9.304 3.324 1.00 0.00 C ATOM 819 CE LYS A 56 -12.632 10.508 3.693 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.042 11.099 4.997 1.00 0.00 N ATOM 0 H LYS A 56 -14.599 8.423 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.423 6.571 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.724 7.454 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.366 6.479 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.845 8.259 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.842 9.150 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.486 9.636 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.592 8.653 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.585 10.210 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.712 11.263 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.437 11.917 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.034 11.407 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.942 10.386 5.748 1.00 0.00 H new ATOM 834 N GLN A 57 -15.418 5.489 -0.307 1.00 0.00 N ATOM 835 CA GLN A 57 -16.226 4.296 -0.531 1.00 0.00 C ATOM 836 C GLN A 57 -15.365 3.140 -1.028 1.00 0.00 C ATOM 837 O GLN A 57 -15.300 2.074 -0.416 1.00 0.00 O ATOM 838 CB GLN A 57 -17.338 4.591 -1.539 1.00 0.00 C ATOM 839 CG GLN A 57 -18.649 5.011 -0.894 1.00 0.00 C ATOM 840 CD GLN A 57 -19.286 3.897 -0.087 1.00 0.00 C ATOM 841 OE1 GLN A 57 -19.916 2.995 -0.640 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.124 3.953 1.230 1.00 0.00 N ATOM 0 H GLN A 57 -15.846 6.356 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.674 4.007 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.005 5.380 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.510 3.703 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.472 5.869 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.343 5.336 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.594 4.719 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.529 3.230 1.825 1.00 0.00 H new ATOM 851 N PRO A 58 -14.687 3.354 -2.166 1.00 0.00 N ATOM 852 CA PRO A 58 -13.817 2.341 -2.771 1.00 0.00 C ATOM 853 C PRO A 58 -12.556 2.095 -1.950 1.00 0.00 C ATOM 854 O PRO A 58 -11.831 1.127 -2.183 1.00 0.00 O ATOM 855 CB PRO A 58 -13.461 2.946 -4.131 1.00 0.00 C ATOM 856 CG PRO A 58 -13.601 4.417 -3.940 1.00 0.00 C ATOM 857 CD PRO A 58 -14.717 4.601 -2.949 1.00 0.00 C ATOM 0 HA PRO A 58 -14.307 1.369 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.447 2.680 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.128 2.583 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.673 4.852 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.831 4.913 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.555 5.475 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.677 4.740 -3.446 1.00 0.00 H new ATOM 865 N TYR A 59 -12.299 2.976 -0.990 1.00 0.00 N ATOM 866 CA TYR A 59 -11.124 2.855 -0.135 1.00 0.00 C ATOM 867 C TYR A 59 -11.468 2.138 1.166 1.00 0.00 C ATOM 868 O TYR A 59 -10.592 1.589 1.836 1.00 0.00 O ATOM 869 CB TYR A 59 -10.545 4.238 0.169 1.00 0.00 C ATOM 870 CG TYR A 59 -9.772 4.838 -0.984 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.705 4.158 -1.560 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.109 6.084 -1.499 1.00 0.00 C ATOM 873 CE1 TYR A 59 -7.996 4.703 -2.613 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.407 6.635 -2.553 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.351 5.942 -3.106 1.00 0.00 C ATOM 876 OH TYR A 59 -7.648 6.487 -4.156 1.00 0.00 O ATOM 0 H TYR A 59 -12.889 3.782 -0.784 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.378 2.265 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.358 4.911 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.889 4.165 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.426 3.187 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.934 6.631 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.168 4.162 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.684 7.604 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.025 7.362 -4.383 1.00 0.00 H new ATOM 886 N ILE A 60 -12.749 2.146 1.518 1.00 0.00 N ATOM 887 CA ILE A 60 -13.210 1.496 2.738 1.00 0.00 C ATOM 888 C ILE A 60 -13.663 0.066 2.461 1.00 0.00 C ATOM 889 O ILE A 60 -13.339 -0.856 3.210 1.00 0.00 O ATOM 890 CB ILE A 60 -14.371 2.273 3.387 1.00 0.00 C ATOM 891 CG1 ILE A 60 -13.939 3.706 3.704 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.843 1.565 4.648 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.093 4.681 3.783 1.00 0.00 C ATOM 0 H ILE A 60 -13.486 2.596 0.975 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.365 1.481 3.426 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.202 2.311 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.402 3.714 4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.240 4.044 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.664 2.126 5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.185 0.561 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.019 1.499 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.713 5.677 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.617 4.702 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.781 4.367 4.568 1.00 0.00 H new ATOM 905 N THR A 61 -14.413 -0.112 1.378 1.00 0.00 N ATOM 906 CA THR A 61 -14.910 -1.429 1.001 1.00 0.00 C ATOM 907 C THR A 61 -13.768 -2.429 0.863 1.00 0.00 C ATOM 908 O THR A 61 -13.925 -3.613 1.162 1.00 0.00 O ATOM 909 CB THR A 61 -15.693 -1.376 -0.324 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.726 -0.387 -0.244 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.306 -2.731 -0.645 1.00 0.00 C ATOM 0 H THR A 61 -14.689 0.640 0.747 1.00 0.00 H new ATOM 0 HA THR A 61 -15.580 -1.754 1.798 1.00 0.00 H new ATOM 0 HB THR A 61 -14.998 -1.111 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.333 0.505 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.854 -2.669 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.515 -3.476 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 61 -16.988 -3.020 0.154 1.00 0.00 H new ATOM 919 N LYS A 62 -12.616 -1.946 0.409 1.00 0.00 N ATOM 920 CA LYS A 62 -11.445 -2.796 0.233 1.00 0.00 C ATOM 921 C LYS A 62 -10.926 -3.293 1.579 1.00 0.00 C ATOM 922 O LYS A 62 -10.651 -4.480 1.749 1.00 0.00 O ATOM 923 CB LYS A 62 -10.341 -2.033 -0.502 1.00 0.00 C ATOM 924 CG LYS A 62 -9.220 -2.924 -1.009 1.00 0.00 C ATOM 925 CD LYS A 62 -8.109 -2.110 -1.651 1.00 0.00 C ATOM 926 CE LYS A 62 -6.761 -2.804 -1.517 1.00 0.00 C ATOM 927 NZ LYS A 62 -5.629 -1.853 -1.690 1.00 0.00 N ATOM 0 H LYS A 62 -12.469 -0.969 0.156 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.740 -3.659 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.779 -1.499 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.922 -1.282 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.814 -3.506 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.618 -3.634 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.335 -1.952 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.061 -1.126 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.692 -3.277 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.686 -3.598 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.728 -2.364 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.680 -1.420 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.686 -1.110 -0.965 1.00 0.00 H new ATOM 941 N ALA A 63 -10.795 -2.376 2.532 1.00 0.00 N ATOM 942 CA ALA A 63 -10.312 -2.721 3.863 1.00 0.00 C ATOM 943 C ALA A 63 -11.194 -3.785 4.508 1.00 0.00 C ATOM 944 O ALA A 63 -10.712 -4.632 5.260 1.00 0.00 O ATOM 945 CB ALA A 63 -10.251 -1.480 4.741 1.00 0.00 C ATOM 0 H ALA A 63 -11.017 -1.388 2.407 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.307 -3.131 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.889 -1.753 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.574 -0.752 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.247 -1.045 4.826 1.00 0.00 H new ATOM 951 N ALA A 64 -12.488 -3.734 4.210 1.00 0.00 N ATOM 952 CA ALA A 64 -13.437 -4.694 4.760 1.00 0.00 C ATOM 953 C ALA A 64 -13.039 -6.123 4.408 1.00 0.00 C ATOM 954 O ALA A 64 -13.175 -7.036 5.223 1.00 0.00 O ATOM 955 CB ALA A 64 -14.841 -4.397 4.256 1.00 0.00 C ATOM 0 H ALA A 64 -12.903 -3.038 3.591 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.424 -4.598 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.539 -5.122 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.133 -3.393 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.859 -4.463 3.168 1.00 0.00 H new