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 -77:sc= 0.26 USER MOD Set 1.2: A 32 ASN : amide:sc= -0.866 X(o=-0.61,f=-0.55) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 92:sc= -4.66! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0.0992 (180deg=0.0113) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -40:sc= 0.00355 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -136:sc= -3.98 (180deg=-7.05!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.941 K(o=0.94,f=-0.084) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0086) 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= -0.49 X(o=-0.49,f=-0.36) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.717 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.281 -3.067 7.508 1.00 0.00 N ATOM 165 CA PRO A 14 -5.258 -1.622 7.265 1.00 0.00 C ATOM 166 C PRO A 14 -6.655 -1.044 7.071 1.00 0.00 C ATOM 167 O PRO A 14 -7.610 -1.777 6.811 1.00 0.00 O ATOM 168 CB PRO A 14 -4.442 -1.492 5.976 1.00 0.00 C ATOM 169 CG PRO A 14 -4.613 -2.801 5.286 1.00 0.00 C ATOM 170 CD PRO A 14 -4.733 -3.831 6.375 1.00 0.00 C ATOM 0 HA PRO A 14 -4.839 -1.074 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.804 -0.669 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.392 -1.292 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.501 -2.796 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.763 -3.015 4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.393 -4.648 6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.767 -4.273 6.618 1.00 0.00 H new ATOM 178 N SER A 15 -6.768 0.274 7.198 1.00 0.00 N ATOM 179 CA SER A 15 -8.051 0.950 7.040 1.00 0.00 C ATOM 180 C SER A 15 -8.064 1.801 5.774 1.00 0.00 C ATOM 181 O SER A 15 -7.020 2.256 5.307 1.00 0.00 O ATOM 182 CB SER A 15 -8.344 1.826 8.259 1.00 0.00 C ATOM 183 OG SER A 15 -8.911 1.063 9.311 1.00 0.00 O ATOM 0 H SER A 15 -5.987 0.895 7.410 1.00 0.00 H new ATOM 0 HA SER A 15 -8.826 0.189 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.423 2.297 8.602 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.026 2.628 7.979 1.00 0.00 H new ATOM 0 HG SER A 15 -9.087 1.645 10.079 1.00 0.00 H new ATOM 189 N GLY A 16 -9.255 2.012 5.222 1.00 0.00 N ATOM 190 CA GLY A 16 -9.383 2.807 4.015 1.00 0.00 C ATOM 191 C GLY A 16 -8.378 3.941 3.958 1.00 0.00 C ATOM 192 O GLY A 16 -7.613 4.055 3.000 1.00 0.00 O ATOM 0 H GLY A 16 -10.134 1.646 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.251 2.164 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.392 3.216 3.959 1.00 0.00 H new ATOM 196 N PHE A 17 -8.381 4.783 4.986 1.00 0.00 N ATOM 197 CA PHE A 17 -7.464 5.916 5.048 1.00 0.00 C ATOM 198 C PHE A 17 -6.032 5.473 4.762 1.00 0.00 C ATOM 199 O PHE A 17 -5.291 6.153 4.051 1.00 0.00 O ATOM 200 CB PHE A 17 -7.538 6.584 6.423 1.00 0.00 C ATOM 201 CG PHE A 17 -6.333 7.419 6.749 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.974 8.486 5.941 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.559 7.137 7.863 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.866 9.257 6.239 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.450 7.905 8.166 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.102 8.965 7.352 1.00 0.00 C ATOM 0 H PHE A 17 -9.007 4.703 5.787 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.762 6.635 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.428 7.212 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.654 5.815 7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.567 8.718 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.825 6.308 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.598 10.087 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.856 7.676 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.234 9.564 7.585 1.00 0.00 H new ATOM 216 N PHE A 18 -5.649 4.330 5.320 1.00 0.00 N ATOM 217 CA PHE A 18 -4.306 3.797 5.127 1.00 0.00 C ATOM 218 C PHE A 18 -4.077 3.417 3.667 1.00 0.00 C ATOM 219 O PHE A 18 -3.118 3.867 3.039 1.00 0.00 O ATOM 220 CB PHE A 18 -4.085 2.577 6.024 1.00 0.00 C ATOM 221 CG PHE A 18 -2.678 2.052 5.985 1.00 0.00 C ATOM 222 CD1 PHE A 18 -1.693 2.613 6.782 1.00 0.00 C ATOM 223 CD2 PHE A 18 -2.340 0.998 5.152 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.398 2.132 6.748 1.00 0.00 C ATOM 225 CE2 PHE A 18 -1.047 0.512 5.114 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.074 1.080 5.914 1.00 0.00 C ATOM 0 H PHE A 18 -6.250 3.755 5.910 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.591 4.573 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.338 2.840 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.769 1.784 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.940 3.435 7.437 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.097 0.551 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.361 2.579 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.797 -0.310 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.937 0.702 5.887 1.00 0.00 H new ATOM 236 N LEU A 19 -4.964 2.585 3.132 1.00 0.00 N ATOM 237 CA LEU A 19 -4.860 2.143 1.746 1.00 0.00 C ATOM 238 C LEU A 19 -4.600 3.324 0.816 1.00 0.00 C ATOM 239 O LEU A 19 -3.598 3.354 0.100 1.00 0.00 O ATOM 240 CB LEU A 19 -6.139 1.419 1.323 1.00 0.00 C ATOM 241 CG LEU A 19 -6.233 -0.058 1.709 1.00 0.00 C ATOM 242 CD1 LEU A 19 -5.844 -0.255 3.166 1.00 0.00 C ATOM 243 CD2 LEU A 19 -7.637 -0.588 1.453 1.00 0.00 C ATOM 0 H LEU A 19 -5.763 2.203 3.637 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.019 1.454 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.990 1.943 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.236 1.498 0.240 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.535 -0.621 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.917 -1.312 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.820 0.086 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.516 0.320 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.685 -1.640 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.354 -0.021 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.878 -0.483 0.395 1.00 0.00 H new ATOM 255 N PHE A 20 -5.506 4.295 0.833 1.00 0.00 N ATOM 256 CA PHE A 20 -5.374 5.479 -0.008 1.00 0.00 C ATOM 257 C PHE A 20 -4.021 6.151 0.208 1.00 0.00 C ATOM 258 O PHE A 20 -3.404 6.645 -0.737 1.00 0.00 O ATOM 259 CB PHE A 20 -6.502 6.470 0.289 1.00 0.00 C ATOM 260 CG PHE A 20 -6.178 7.882 -0.105 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.437 8.698 0.734 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.615 8.395 -1.316 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.137 9.998 0.374 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.318 9.694 -1.682 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.579 10.497 -0.836 1.00 0.00 C ATOM 0 H PHE A 20 -6.340 4.286 1.420 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.441 5.164 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.402 6.152 -0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.729 6.442 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.089 8.313 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.194 7.772 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.558 10.623 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.664 10.081 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.347 11.513 -1.120 1.00 0.00 H new ATOM 275 N CYS A 21 -3.567 6.166 1.456 1.00 0.00 N ATOM 276 CA CYS A 21 -2.288 6.778 1.797 1.00 0.00 C ATOM 277 C CYS A 21 -1.133 6.022 1.149 1.00 0.00 C ATOM 278 O CYS A 21 -0.376 6.585 0.358 1.00 0.00 O ATOM 279 CB CYS A 21 -2.104 6.811 3.315 1.00 0.00 C ATOM 280 SG CYS A 21 -3.145 8.025 4.159 1.00 0.00 S ATOM 0 H CYS A 21 -4.066 5.761 2.249 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.289 7.799 1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.319 5.821 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.059 7.026 3.539 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.263 7.465 4.516 1.00 0.00 H new ATOM 286 N SER A 22 -1.004 4.744 1.490 1.00 0.00 N ATOM 287 CA SER A 22 0.063 3.912 0.945 1.00 0.00 C ATOM 288 C SER A 22 0.005 3.884 -0.579 1.00 0.00 C ATOM 289 O SER A 22 0.984 3.544 -1.242 1.00 0.00 O ATOM 290 CB SER A 22 -0.040 2.489 1.497 1.00 0.00 C ATOM 291 OG SER A 22 1.226 1.851 1.500 1.00 0.00 O ATOM 0 H SER A 22 -1.624 4.262 2.141 1.00 0.00 H new ATOM 0 HA SER A 22 1.017 4.343 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.439 2.517 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.741 1.911 0.894 1.00 0.00 H new ATOM 0 HG SER A 22 1.134 0.944 1.859 1.00 0.00 H new ATOM 297 N GLU A 23 -1.152 4.243 -1.128 1.00 0.00 N ATOM 298 CA GLU A 23 -1.339 4.257 -2.574 1.00 0.00 C ATOM 299 C GLU A 23 -0.971 5.619 -3.156 1.00 0.00 C ATOM 300 O GLU A 23 -0.571 5.724 -4.316 1.00 0.00 O ATOM 301 CB GLU A 23 -2.787 3.914 -2.927 1.00 0.00 C ATOM 302 CG GLU A 23 -3.112 4.088 -4.401 1.00 0.00 C ATOM 303 CD GLU A 23 -4.198 3.142 -4.875 1.00 0.00 C ATOM 304 OE1 GLU A 23 -4.117 1.938 -4.554 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.129 3.605 -5.566 1.00 0.00 O ATOM 0 H GLU A 23 -1.973 4.528 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.680 3.505 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.988 2.882 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.454 4.545 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.427 5.116 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.210 3.923 -4.990 1.00 0.00 H new ATOM 312 N PHE A 24 -1.110 6.661 -2.343 1.00 0.00 N ATOM 313 CA PHE A 24 -0.795 8.017 -2.776 1.00 0.00 C ATOM 314 C PHE A 24 0.625 8.401 -2.372 1.00 0.00 C ATOM 315 O PHE A 24 1.191 9.363 -2.891 1.00 0.00 O ATOM 316 CB PHE A 24 -1.794 9.011 -2.180 1.00 0.00 C ATOM 317 CG PHE A 24 -3.002 9.238 -3.042 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.880 8.200 -3.314 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.261 10.488 -3.580 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.992 8.406 -4.108 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.372 10.699 -4.375 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.239 9.657 -4.638 1.00 0.00 C ATOM 0 H PHE A 24 -1.439 6.592 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.866 8.050 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.117 8.648 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.291 9.964 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.693 7.220 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.587 11.307 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.668 7.589 -4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.562 11.678 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.109 9.820 -5.257 1.00 0.00 H new ATOM 332 N ARG A 25 1.195 7.641 -1.442 1.00 0.00 N ATOM 333 CA ARG A 25 2.548 7.902 -0.966 1.00 0.00 C ATOM 334 C ARG A 25 3.530 7.977 -2.132 1.00 0.00 C ATOM 335 O ARG A 25 4.375 8.869 -2.208 1.00 0.00 O ATOM 336 CB ARG A 25 2.986 6.813 0.014 1.00 0.00 C ATOM 337 CG ARG A 25 3.932 7.310 1.095 1.00 0.00 C ATOM 338 CD ARG A 25 4.384 6.177 2.004 1.00 0.00 C ATOM 339 NE ARG A 25 4.886 6.670 3.284 1.00 0.00 N ATOM 340 CZ ARG A 25 4.921 5.936 4.391 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.487 4.684 4.374 1.00 0.00 N ATOM 342 NH2 ARG A 25 5.393 6.455 5.517 1.00 0.00 N ATOM 0 H ARG A 25 0.741 6.840 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 25 2.546 8.864 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.102 6.384 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.472 6.011 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.802 7.776 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.437 8.078 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.550 5.498 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.164 5.602 1.506 1.00 0.00 H new ATOM 0 HE ARG A 25 5.228 7.630 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.125 4.281 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.515 4.123 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.729 7.418 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.420 5.891 6.367 1.00 0.00 H new ATOM 356 N PRO A 26 3.417 7.017 -3.063 1.00 0.00 N ATOM 357 CA PRO A 26 4.286 6.952 -4.241 1.00 0.00 C ATOM 358 C PRO A 26 4.405 8.298 -4.949 1.00 0.00 C ATOM 359 O PRO A 26 5.507 8.806 -5.156 1.00 0.00 O ATOM 360 CB PRO A 26 3.584 5.934 -5.144 1.00 0.00 C ATOM 361 CG PRO A 26 2.809 5.071 -4.209 1.00 0.00 C ATOM 362 CD PRO A 26 2.432 5.923 -3.036 1.00 0.00 C ATOM 0 HA PRO A 26 5.308 6.677 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.929 6.427 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.304 5.350 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.920 4.674 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.405 4.217 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.413 6.300 -3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.482 5.363 -2.102 1.00 0.00 H new ATOM 370 N LYS A 27 3.264 8.871 -5.317 1.00 0.00 N ATOM 371 CA LYS A 27 3.240 10.159 -6.000 1.00 0.00 C ATOM 372 C LYS A 27 3.997 11.213 -5.199 1.00 0.00 C ATOM 373 O LYS A 27 4.893 11.877 -5.721 1.00 0.00 O ATOM 374 CB LYS A 27 1.796 10.613 -6.224 1.00 0.00 C ATOM 375 CG LYS A 27 0.949 9.599 -6.974 1.00 0.00 C ATOM 376 CD LYS A 27 -0.525 9.743 -6.634 1.00 0.00 C ATOM 377 CE LYS A 27 -1.326 8.538 -7.102 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.782 8.702 -6.837 1.00 0.00 N ATOM 0 H LYS A 27 2.343 8.463 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 27 3.731 10.040 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.334 10.816 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.801 11.551 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.090 9.728 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.283 8.591 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.641 9.862 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.920 10.646 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.166 8.388 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.964 7.643 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.200 7.777 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.918 9.349 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.246 9.095 -7.681 1.00 0.00 H new ATOM 392 N ILE A 28 3.632 11.361 -3.930 1.00 0.00 N ATOM 393 CA ILE A 28 4.279 12.333 -3.058 1.00 0.00 C ATOM 394 C ILE A 28 5.796 12.187 -3.101 1.00 0.00 C ATOM 395 O ILE A 28 6.516 13.146 -3.380 1.00 0.00 O ATOM 396 CB ILE A 28 3.802 12.188 -1.601 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.274 12.251 -1.533 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.421 13.270 -0.730 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.732 12.262 -0.120 1.00 0.00 C ATOM 0 H ILE A 28 2.892 10.820 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 28 4.001 13.320 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 28 4.124 11.217 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.932 13.147 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.859 11.396 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.074 13.154 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.507 13.182 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.126 14.251 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.643 12.308 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.044 11.354 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.118 13.132 0.411 1.00 0.00 H new ATOM 411 N LYS A 29 6.276 10.979 -2.825 1.00 0.00 N ATOM 412 CA LYS A 29 7.708 10.704 -2.835 1.00 0.00 C ATOM 413 C LYS A 29 8.291 10.905 -4.230 1.00 0.00 C ATOM 414 O LYS A 29 9.505 11.020 -4.395 1.00 0.00 O ATOM 415 CB LYS A 29 7.977 9.274 -2.360 1.00 0.00 C ATOM 416 CG LYS A 29 7.695 9.061 -0.882 1.00 0.00 C ATOM 417 CD LYS A 29 8.339 7.783 -0.371 1.00 0.00 C ATOM 418 CE LYS A 29 9.772 8.023 0.080 1.00 0.00 C ATOM 419 NZ LYS A 29 10.392 6.788 0.636 1.00 0.00 N ATOM 0 H LYS A 29 5.694 10.175 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 29 8.192 11.404 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.364 8.586 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.018 9.022 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.070 9.912 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.618 9.018 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.756 7.388 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.325 7.028 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.364 8.378 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.789 8.809 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.368 6.992 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.842 6.463 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.400 6.045 -0.092 1.00 0.00 H new ATOM 433 N SER A 30 7.418 10.948 -5.231 1.00 0.00 N ATOM 434 CA SER A 30 7.847 11.133 -6.612 1.00 0.00 C ATOM 435 C SER A 30 7.732 12.597 -7.025 1.00 0.00 C ATOM 436 O SER A 30 8.250 13.005 -8.065 1.00 0.00 O ATOM 437 CB SER A 30 7.010 10.260 -7.550 1.00 0.00 C ATOM 438 OG SER A 30 7.687 10.032 -8.773 1.00 0.00 O ATOM 0 H SER A 30 6.409 10.857 -5.111 1.00 0.00 H new ATOM 0 HA SER A 30 8.893 10.834 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.793 9.307 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.053 10.744 -7.745 1.00 0.00 H new ATOM 0 HG SER A 30 8.137 10.855 -9.056 1.00 0.00 H new ATOM 444 N THR A 31 7.050 13.386 -6.201 1.00 0.00 N ATOM 445 CA THR A 31 6.865 14.805 -6.478 1.00 0.00 C ATOM 446 C THR A 31 7.801 15.658 -5.630 1.00 0.00 C ATOM 447 O THR A 31 8.302 16.686 -6.083 1.00 0.00 O ATOM 448 CB THR A 31 5.412 15.244 -6.219 1.00 0.00 C ATOM 449 OG1 THR A 31 4.819 14.408 -5.219 1.00 0.00 O ATOM 450 CG2 THR A 31 4.590 15.176 -7.497 1.00 0.00 C ATOM 0 H THR A 31 6.616 13.066 -5.335 1.00 0.00 H new ATOM 0 HA THR A 31 7.098 14.953 -7.532 1.00 0.00 H new ATOM 0 HB THR A 31 5.424 16.276 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.571 13.548 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.567 15.491 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.027 15.836 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.585 14.153 -7.873 1.00 0.00 H new ATOM 458 N ASN A 32 8.033 15.224 -4.395 1.00 0.00 N ATOM 459 CA ASN A 32 8.910 15.948 -3.482 1.00 0.00 C ATOM 460 C ASN A 32 10.304 15.327 -3.459 1.00 0.00 C ATOM 461 O ASN A 32 10.468 14.115 -3.316 1.00 0.00 O ATOM 462 CB ASN A 32 8.319 15.955 -2.071 1.00 0.00 C ATOM 463 CG ASN A 32 7.033 16.755 -1.987 1.00 0.00 C ATOM 464 OD1 ASN A 32 7.007 17.852 -1.429 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.958 16.207 -2.542 1.00 0.00 N ATOM 0 H ASN A 32 7.626 14.375 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 32 8.995 16.975 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.127 14.930 -1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.049 16.371 -1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.064 16.698 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.026 15.295 -2.994 1.00 0.00 H new ATOM 472 N PRO A 33 11.332 16.176 -3.602 1.00 0.00 N ATOM 473 CA PRO A 33 12.730 15.734 -3.599 1.00 0.00 C ATOM 474 C PRO A 33 13.185 15.260 -2.224 1.00 0.00 C ATOM 475 O PRO A 33 13.307 16.054 -1.292 1.00 0.00 O ATOM 476 CB PRO A 33 13.500 16.990 -4.014 1.00 0.00 C ATOM 477 CG PRO A 33 12.622 18.124 -3.611 1.00 0.00 C ATOM 478 CD PRO A 33 11.210 17.633 -3.777 1.00 0.00 C ATOM 0 HA PRO A 33 12.889 14.882 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.468 17.043 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.692 17.000 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.814 18.419 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.806 19.000 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.542 18.072 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.809 17.888 -4.758 1.00 0.00 H new ATOM 486 N GLY A 34 13.437 13.960 -2.104 1.00 0.00 N ATOM 487 CA GLY A 34 13.876 13.403 -0.838 1.00 0.00 C ATOM 488 C GLY A 34 12.999 13.833 0.321 1.00 0.00 C ATOM 489 O GLY A 34 13.490 14.367 1.316 1.00 0.00 O ATOM 0 H GLY A 34 13.345 13.283 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.877 12.315 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.904 13.712 -0.646 1.00 0.00 H new ATOM 493 N ILE A 35 11.697 13.601 0.192 1.00 0.00 N ATOM 494 CA ILE A 35 10.749 13.969 1.237 1.00 0.00 C ATOM 495 C ILE A 35 10.881 13.051 2.447 1.00 0.00 C ATOM 496 O ILE A 35 11.122 11.852 2.306 1.00 0.00 O ATOM 497 CB ILE A 35 9.298 13.919 0.724 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.348 14.531 1.756 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.896 12.485 0.411 1.00 0.00 C ATOM 500 CD1 ILE A 35 7.048 15.027 1.161 1.00 0.00 C ATOM 0 H ILE A 35 11.275 13.160 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 35 10.986 14.991 1.532 1.00 0.00 H new ATOM 0 HB ILE A 35 9.232 14.503 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.127 13.787 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.850 15.361 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.868 12.466 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.558 12.081 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.974 11.880 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.424 15.448 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.258 15.795 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.524 14.196 0.688 1.00 0.00 H new ATOM 512 N SER A 36 10.719 13.621 3.637 1.00 0.00 N ATOM 513 CA SER A 36 10.822 12.854 4.873 1.00 0.00 C ATOM 514 C SER A 36 9.461 12.298 5.281 1.00 0.00 C ATOM 515 O SER A 36 8.438 12.970 5.148 1.00 0.00 O ATOM 516 CB SER A 36 11.386 13.727 5.995 1.00 0.00 C ATOM 517 OG SER A 36 12.587 14.363 5.591 1.00 0.00 O ATOM 0 H SER A 36 10.516 14.612 3.771 1.00 0.00 H new ATOM 0 HA SER A 36 11.500 12.018 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.650 14.479 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.574 13.115 6.877 1.00 0.00 H new ATOM 0 HG SER A 36 12.927 14.917 6.325 1.00 0.00 H new ATOM 523 N ILE A 37 9.458 11.066 5.779 1.00 0.00 N ATOM 524 CA ILE A 37 8.224 10.419 6.209 1.00 0.00 C ATOM 525 C ILE A 37 7.302 11.408 6.914 1.00 0.00 C ATOM 526 O ILE A 37 6.084 11.370 6.740 1.00 0.00 O ATOM 527 CB ILE A 37 8.508 9.236 7.153 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.369 8.187 6.447 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.204 8.620 7.637 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.067 7.239 7.397 1.00 0.00 C ATOM 0 H ILE A 37 10.296 10.496 5.895 1.00 0.00 H new ATOM 0 HA ILE A 37 7.733 10.046 5.310 1.00 0.00 H new ATOM 0 HB ILE A 37 9.057 9.605 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.741 7.611 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.117 8.693 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.421 7.785 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.624 9.371 8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.631 8.262 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.659 6.523 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.722 7.805 8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.324 6.705 7.990 1.00 0.00 H new ATOM 542 N GLY A 38 7.891 12.295 7.710 1.00 0.00 N ATOM 543 CA GLY A 38 7.108 13.283 8.428 1.00 0.00 C ATOM 544 C GLY A 38 6.303 14.171 7.500 1.00 0.00 C ATOM 545 O GLY A 38 5.130 14.444 7.754 1.00 0.00 O ATOM 0 H GLY A 38 8.897 12.347 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.433 12.776 9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.773 13.901 9.031 1.00 0.00 H new ATOM 549 N ASP A 39 6.934 14.623 6.422 1.00 0.00 N ATOM 550 CA ASP A 39 6.269 15.486 5.453 1.00 0.00 C ATOM 551 C ASP A 39 5.084 14.771 4.811 1.00 0.00 C ATOM 552 O ASP A 39 3.939 15.207 4.938 1.00 0.00 O ATOM 553 CB ASP A 39 7.256 15.933 4.373 1.00 0.00 C ATOM 554 CG ASP A 39 8.172 17.043 4.850 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.708 18.198 4.937 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.354 16.756 5.134 1.00 0.00 O ATOM 0 H ASP A 39 7.905 14.406 6.197 1.00 0.00 H new ATOM 0 HA ASP A 39 5.898 16.364 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.857 15.080 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.703 16.273 3.498 1.00 0.00 H new ATOM 561 N VAL A 40 5.366 13.671 4.121 1.00 0.00 N ATOM 562 CA VAL A 40 4.324 12.895 3.459 1.00 0.00 C ATOM 563 C VAL A 40 3.124 12.692 4.377 1.00 0.00 C ATOM 564 O VAL A 40 1.982 12.932 3.986 1.00 0.00 O ATOM 565 CB VAL A 40 4.850 11.519 3.008 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.731 10.699 2.383 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.008 11.685 2.035 1.00 0.00 C ATOM 0 H VAL A 40 6.308 13.297 4.006 1.00 0.00 H new ATOM 0 HA VAL A 40 4.015 13.463 2.581 1.00 0.00 H new ATOM 0 HB VAL A 40 5.215 10.983 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.121 9.730 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.936 10.551 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.333 11.227 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.368 10.703 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.671 12.240 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.816 12.231 2.521 1.00 0.00 H new ATOM 577 N ALA A 41 3.390 12.247 5.601 1.00 0.00 N ATOM 578 CA ALA A 41 2.332 12.014 6.576 1.00 0.00 C ATOM 579 C ALA A 41 1.405 13.220 6.680 1.00 0.00 C ATOM 580 O ALA A 41 0.184 13.087 6.598 1.00 0.00 O ATOM 581 CB ALA A 41 2.931 11.688 7.936 1.00 0.00 C ATOM 0 H ALA A 41 4.329 12.041 5.941 1.00 0.00 H new ATOM 0 HA ALA A 41 1.741 11.163 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.130 11.516 8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.546 10.792 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.547 12.522 8.272 1.00 0.00 H new ATOM 587 N LYS A 42 1.993 14.398 6.860 1.00 0.00 N ATOM 588 CA LYS A 42 1.220 15.630 6.974 1.00 0.00 C ATOM 589 C LYS A 42 0.301 15.809 5.770 1.00 0.00 C ATOM 590 O LYS A 42 -0.889 16.089 5.921 1.00 0.00 O ATOM 591 CB LYS A 42 2.156 16.834 7.097 1.00 0.00 C ATOM 592 CG LYS A 42 1.446 18.171 6.983 1.00 0.00 C ATOM 593 CD LYS A 42 2.405 19.332 7.188 1.00 0.00 C ATOM 594 CE LYS A 42 1.784 20.651 6.754 1.00 0.00 C ATOM 595 NZ LYS A 42 0.753 21.123 7.720 1.00 0.00 N ATOM 0 H LYS A 42 3.003 14.526 6.930 1.00 0.00 H new ATOM 0 HA LYS A 42 0.605 15.562 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.671 16.786 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.920 16.770 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.979 18.253 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.647 18.224 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.688 19.390 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.319 19.155 6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.565 21.406 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.332 20.533 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.354 22.024 7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.005 20.414 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.189 21.260 8.654 1.00 0.00 H new ATOM 609 N LYS A 43 0.858 15.643 4.576 1.00 0.00 N ATOM 610 CA LYS A 43 0.088 15.783 3.345 1.00 0.00 C ATOM 611 C LYS A 43 -1.059 14.779 3.304 1.00 0.00 C ATOM 612 O LYS A 43 -2.224 15.157 3.172 1.00 0.00 O ATOM 613 CB LYS A 43 0.995 15.589 2.128 1.00 0.00 C ATOM 614 CG LYS A 43 1.777 16.834 1.747 1.00 0.00 C ATOM 615 CD LYS A 43 2.660 16.588 0.535 1.00 0.00 C ATOM 616 CE LYS A 43 3.899 17.470 0.561 1.00 0.00 C ATOM 617 NZ LYS A 43 3.562 18.907 0.364 1.00 0.00 N ATOM 0 H LYS A 43 1.841 15.411 4.434 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.332 16.788 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.695 14.779 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.387 15.278 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.085 17.649 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.393 17.150 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.958 15.540 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.093 16.782 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.414 17.345 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.590 17.149 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.433 19.474 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.094 19.031 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.923 19.221 1.122 1.00 0.00 H new ATOM 631 N LEU A 44 -0.723 13.499 3.418 1.00 0.00 N ATOM 632 CA LEU A 44 -1.726 12.439 3.396 1.00 0.00 C ATOM 633 C LEU A 44 -2.937 12.818 4.242 1.00 0.00 C ATOM 634 O LEU A 44 -4.066 12.837 3.754 1.00 0.00 O ATOM 635 CB LEU A 44 -1.123 11.129 3.905 1.00 0.00 C ATOM 636 CG LEU A 44 -0.118 10.446 2.976 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.804 9.532 3.767 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.842 9.666 1.888 1.00 0.00 C ATOM 0 H LEU A 44 0.236 13.169 3.527 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.054 12.304 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.631 11.325 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.936 10.431 4.103 1.00 0.00 H new ATOM 0 HG LEU A 44 0.489 11.216 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.512 9.055 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.349 10.117 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.213 8.768 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.111 9.187 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.475 8.905 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.459 10.347 1.302 1.00 0.00 H new ATOM 650 N GLY A 45 -2.693 13.121 5.513 1.00 0.00 N ATOM 651 CA GLY A 45 -3.773 13.497 6.407 1.00 0.00 C ATOM 652 C GLY A 45 -4.736 14.479 5.770 1.00 0.00 C ATOM 653 O GLY A 45 -5.950 14.284 5.815 1.00 0.00 O ATOM 0 H GLY A 45 -1.767 13.113 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.318 12.603 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.355 13.938 7.312 1.00 0.00 H new ATOM 657 N GLU A 46 -4.194 15.538 5.178 1.00 0.00 N ATOM 658 CA GLU A 46 -5.015 16.556 4.532 1.00 0.00 C ATOM 659 C GLU A 46 -5.752 15.976 3.328 1.00 0.00 C ATOM 660 O GLU A 46 -6.951 16.197 3.156 1.00 0.00 O ATOM 661 CB GLU A 46 -4.149 17.738 4.093 1.00 0.00 C ATOM 662 CG GLU A 46 -4.017 18.822 5.150 1.00 0.00 C ATOM 663 CD GLU A 46 -5.154 19.823 5.105 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.083 20.764 4.286 1.00 0.00 O ATOM 665 OE2 GLU A 46 -6.115 19.667 5.887 1.00 0.00 O ATOM 0 H GLU A 46 -3.190 15.714 5.132 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.753 16.904 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.155 17.373 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.575 18.174 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.984 18.360 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.071 19.346 5.011 1.00 0.00 H new ATOM 672 N MET A 47 -5.027 15.235 2.498 1.00 0.00 N ATOM 673 CA MET A 47 -5.611 14.623 1.310 1.00 0.00 C ATOM 674 C MET A 47 -6.847 13.804 1.673 1.00 0.00 C ATOM 675 O MET A 47 -7.869 13.871 0.990 1.00 0.00 O ATOM 676 CB MET A 47 -4.583 13.733 0.610 1.00 0.00 C ATOM 677 CG MET A 47 -3.298 14.459 0.248 1.00 0.00 C ATOM 678 SD MET A 47 -2.499 13.769 -1.214 1.00 0.00 S ATOM 679 CE MET A 47 -2.334 12.052 -0.732 1.00 0.00 C ATOM 0 H MET A 47 -4.033 15.043 2.626 1.00 0.00 H new ATOM 0 HA MET A 47 -5.911 15.421 0.631 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.344 12.889 1.257 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.027 13.323 -0.297 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.517 15.513 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.608 14.411 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.340 11.693 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.475 11.961 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.086 11.455 -1.248 1.00 0.00 H new ATOM 689 N TRP A 48 -6.745 13.034 2.750 1.00 0.00 N ATOM 690 CA TRP A 48 -7.854 12.202 3.202 1.00 0.00 C ATOM 691 C TRP A 48 -9.084 13.052 3.502 1.00 0.00 C ATOM 692 O TRP A 48 -10.159 12.820 2.951 1.00 0.00 O ATOM 693 CB TRP A 48 -7.450 11.409 4.446 1.00 0.00 C ATOM 694 CG TRP A 48 -8.504 10.448 4.906 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.159 10.462 6.105 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.024 9.332 4.176 1.00 0.00 C ATOM 697 NE1 TRP A 48 -10.054 9.421 6.164 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.991 8.713 4.992 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.768 8.796 2.911 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.699 7.586 4.584 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.472 7.677 2.507 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.429 7.083 3.341 1.00 0.00 C ATOM 0 H TRP A 48 -5.906 12.968 3.326 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.103 11.505 2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.533 10.858 4.235 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.225 12.105 5.254 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.997 11.185 6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.666 9.209 6.952 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.033 9.248 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.435 7.125 5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.281 7.253 1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.964 6.211 2.995 1.00 0.00 H new ATOM 713 N ASN A 49 -8.918 14.036 4.379 1.00 0.00 N ATOM 714 CA ASN A 49 -10.016 14.920 4.753 1.00 0.00 C ATOM 715 C ASN A 49 -10.642 15.562 3.518 1.00 0.00 C ATOM 716 O ASN A 49 -11.849 15.793 3.470 1.00 0.00 O ATOM 717 CB ASN A 49 -9.521 16.006 5.710 1.00 0.00 C ATOM 718 CG ASN A 49 -10.657 16.683 6.453 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.116 17.757 6.063 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.115 16.057 7.531 1.00 0.00 N ATOM 0 H ASN A 49 -8.034 14.242 4.844 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.776 14.322 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.831 15.565 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.961 16.754 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.877 16.465 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.704 15.168 7.818 1.00 0.00 H new ATOM 727 N ASN A 50 -9.810 15.848 2.521 1.00 0.00 N ATOM 728 CA ASN A 50 -10.282 16.463 1.285 1.00 0.00 C ATOM 729 C ASN A 50 -11.251 15.540 0.553 1.00 0.00 C ATOM 730 O ASN A 50 -12.248 15.992 -0.012 1.00 0.00 O ATOM 731 CB ASN A 50 -9.098 16.802 0.376 1.00 0.00 C ATOM 732 CG ASN A 50 -8.528 18.179 0.659 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.050 19.188 0.184 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.452 18.226 1.435 1.00 0.00 N ATOM 0 H ASN A 50 -8.807 15.664 2.545 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.809 17.382 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.316 16.054 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.416 16.750 -0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.024 19.124 1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.053 17.364 1.807 1.00 0.00 H new ATOM 741 N LEU A 51 -10.953 14.246 0.569 1.00 0.00 N ATOM 742 CA LEU A 51 -11.799 13.258 -0.093 1.00 0.00 C ATOM 743 C LEU A 51 -13.236 13.348 0.409 1.00 0.00 C ATOM 744 O LEU A 51 -13.481 13.709 1.559 1.00 0.00 O ATOM 745 CB LEU A 51 -11.251 11.849 0.143 1.00 0.00 C ATOM 746 CG LEU A 51 -9.884 11.549 -0.471 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.254 10.336 0.195 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.010 11.330 -1.972 1.00 0.00 C ATOM 0 H LEU A 51 -10.133 13.856 1.033 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.794 13.469 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.189 11.680 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.970 11.131 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.235 12.408 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.281 10.138 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.128 10.530 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.900 9.469 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.027 11.118 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.676 10.488 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.418 12.227 -2.438 1.00 0.00 H new ATOM 760 N ASN A 52 -14.183 13.015 -0.462 1.00 0.00 N ATOM 761 CA ASN A 52 -15.597 13.057 -0.106 1.00 0.00 C ATOM 762 C ASN A 52 -16.078 11.691 0.374 1.00 0.00 C ATOM 763 O ASN A 52 -15.382 10.687 0.219 1.00 0.00 O ATOM 764 CB ASN A 52 -16.433 13.511 -1.305 1.00 0.00 C ATOM 765 CG ASN A 52 -16.006 14.870 -1.825 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.900 15.833 -1.065 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.759 14.954 -3.127 1.00 0.00 N ATOM 0 H ASN A 52 -13.997 12.713 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.720 13.773 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.346 12.775 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.484 13.548 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.468 15.843 -3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.860 14.130 -3.719 1.00 0.00 H new ATOM 774 N ASP A 53 -17.271 11.661 0.957 1.00 0.00 N ATOM 775 CA ASP A 53 -17.846 10.419 1.459 1.00 0.00 C ATOM 776 C ASP A 53 -18.026 9.408 0.331 1.00 0.00 C ATOM 777 O ASP A 53 -18.200 8.215 0.575 1.00 0.00 O ATOM 778 CB ASP A 53 -19.191 10.691 2.135 1.00 0.00 C ATOM 779 CG ASP A 53 -20.023 9.434 2.296 1.00 0.00 C ATOM 780 OD1 ASP A 53 -20.613 8.981 1.293 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.085 8.903 3.425 1.00 0.00 O ATOM 0 H ASP A 53 -17.859 12.483 1.094 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.157 10.000 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.018 11.137 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.749 11.420 1.547 1.00 0.00 H new ATOM 786 N SER A 54 -17.983 9.895 -0.905 1.00 0.00 N ATOM 787 CA SER A 54 -18.145 9.036 -2.072 1.00 0.00 C ATOM 788 C SER A 54 -16.790 8.591 -2.613 1.00 0.00 C ATOM 789 O SER A 54 -16.695 7.612 -3.351 1.00 0.00 O ATOM 790 CB SER A 54 -18.929 9.765 -3.165 1.00 0.00 C ATOM 791 OG SER A 54 -18.797 9.108 -4.413 1.00 0.00 O ATOM 0 H SER A 54 -17.837 10.880 -1.124 1.00 0.00 H new ATOM 0 HA SER A 54 -18.702 8.151 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.982 9.817 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.571 10.791 -3.251 1.00 0.00 H new ATOM 0 HG SER A 54 -19.309 9.593 -5.094 1.00 0.00 H new ATOM 797 N GLU A 55 -15.743 9.320 -2.239 1.00 0.00 N ATOM 798 CA GLU A 55 -14.392 9.002 -2.687 1.00 0.00 C ATOM 799 C GLU A 55 -13.779 7.900 -1.827 1.00 0.00 C ATOM 800 O GLU A 55 -13.010 7.072 -2.314 1.00 0.00 O ATOM 801 CB GLU A 55 -13.508 10.250 -2.642 1.00 0.00 C ATOM 802 CG GLU A 55 -13.794 11.238 -3.760 1.00 0.00 C ATOM 803 CD GLU A 55 -13.327 10.738 -5.114 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.111 10.040 -5.790 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.179 11.044 -5.497 1.00 0.00 O ATOM 0 H GLU A 55 -15.804 10.134 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.453 8.646 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.647 10.749 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.462 9.947 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.865 11.436 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.303 12.185 -3.537 1.00 0.00 H new ATOM 812 N LYS A 56 -14.124 7.898 -0.544 1.00 0.00 N ATOM 813 CA LYS A 56 -13.610 6.899 0.386 1.00 0.00 C ATOM 814 C LYS A 56 -14.390 5.594 0.267 1.00 0.00 C ATOM 815 O LYS A 56 -13.901 4.532 0.653 1.00 0.00 O ATOM 816 CB LYS A 56 -13.686 7.423 1.822 1.00 0.00 C ATOM 817 CG LYS A 56 -12.898 8.702 2.045 1.00 0.00 C ATOM 818 CD LYS A 56 -13.225 9.331 3.389 1.00 0.00 C ATOM 819 CE LYS A 56 -12.684 10.749 3.487 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.297 11.499 4.618 1.00 0.00 N ATOM 0 H LYS A 56 -14.758 8.578 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.568 6.703 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.730 7.600 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.315 6.655 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.831 8.487 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.119 9.411 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.305 9.342 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.802 8.723 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.602 10.717 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.878 11.277 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.902 12.461 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.327 11.552 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.091 11.009 5.512 1.00 0.00 H new ATOM 834 N GLN A 57 -15.603 5.680 -0.269 1.00 0.00 N ATOM 835 CA GLN A 57 -16.448 4.504 -0.438 1.00 0.00 C ATOM 836 C GLN A 57 -15.639 3.323 -0.963 1.00 0.00 C ATOM 837 O GLN A 57 -15.570 2.262 -0.342 1.00 0.00 O ATOM 838 CB GLN A 57 -17.602 4.813 -1.394 1.00 0.00 C ATOM 839 CG GLN A 57 -18.868 5.273 -0.690 1.00 0.00 C ATOM 840 CD GLN A 57 -19.417 4.232 0.264 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.042 3.257 -0.155 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.187 4.432 1.557 1.00 0.00 N ATOM 0 H GLN A 57 -16.022 6.551 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.855 4.237 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.285 5.585 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.826 3.922 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.660 6.191 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.626 5.513 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.664 5.254 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.533 3.764 2.246 1.00 0.00 H new ATOM 851 N PRO A 58 -15.012 3.509 -2.134 1.00 0.00 N ATOM 852 CA PRO A 58 -14.196 2.469 -2.768 1.00 0.00 C ATOM 853 C PRO A 58 -12.903 2.201 -2.006 1.00 0.00 C ATOM 854 O PRO A 58 -12.191 1.238 -2.291 1.00 0.00 O ATOM 855 CB PRO A 58 -13.892 3.051 -4.151 1.00 0.00 C ATOM 856 CG PRO A 58 -13.989 4.527 -3.970 1.00 0.00 C ATOM 857 CD PRO A 58 -15.051 4.748 -2.928 1.00 0.00 C ATOM 0 HA PRO A 58 -14.711 1.509 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.900 2.759 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.604 2.696 -4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.035 4.944 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.253 5.018 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.837 5.624 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.031 4.905 -3.379 1.00 0.00 H new ATOM 865 N TYR A 59 -12.605 3.059 -1.036 1.00 0.00 N ATOM 866 CA TYR A 59 -11.396 2.916 -0.234 1.00 0.00 C ATOM 867 C TYR A 59 -11.688 2.168 1.063 1.00 0.00 C ATOM 868 O TYR A 59 -10.800 1.547 1.648 1.00 0.00 O ATOM 869 CB TYR A 59 -10.801 4.290 0.079 1.00 0.00 C ATOM 870 CG TYR A 59 -9.966 4.859 -1.046 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.863 4.171 -1.535 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.282 6.084 -1.619 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.097 4.688 -2.562 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.522 6.608 -2.648 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.431 5.906 -3.115 1.00 0.00 C ATOM 876 OH TYR A 59 -7.671 6.424 -4.139 1.00 0.00 O ATOM 0 H TYR A 59 -13.184 3.861 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.674 2.338 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.610 4.984 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.185 4.214 0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.600 3.216 -1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.136 6.636 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.241 4.141 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.781 7.562 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.041 7.288 -4.416 1.00 0.00 H new ATOM 886 N ILE A 60 -12.939 2.231 1.506 1.00 0.00 N ATOM 887 CA ILE A 60 -13.350 1.559 2.732 1.00 0.00 C ATOM 888 C ILE A 60 -13.822 0.137 2.448 1.00 0.00 C ATOM 889 O ILE A 60 -13.516 -0.793 3.196 1.00 0.00 O ATOM 890 CB ILE A 60 -14.476 2.329 3.446 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.004 3.734 3.824 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.937 1.569 4.681 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.124 4.652 4.259 1.00 0.00 C ATOM 0 H ILE A 60 -13.686 2.741 1.034 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.475 1.526 3.382 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.321 2.422 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.274 3.658 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.492 4.178 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.733 2.126 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.309 0.588 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.099 1.448 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.715 5.630 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.844 4.758 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.622 4.230 5.132 1.00 0.00 H new ATOM 905 N THR A 61 -14.569 -0.027 1.360 1.00 0.00 N ATOM 906 CA THR A 61 -15.083 -1.335 0.976 1.00 0.00 C ATOM 907 C THR A 61 -13.957 -2.357 0.862 1.00 0.00 C ATOM 908 O THR A 61 -14.105 -3.508 1.275 1.00 0.00 O ATOM 909 CB THR A 61 -15.839 -1.270 -0.364 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.907 -0.321 -0.278 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.396 -2.635 -0.738 1.00 0.00 C ATOM 0 H THR A 61 -14.831 0.731 0.729 1.00 0.00 H new ATOM 0 HA THR A 61 -15.774 -1.645 1.760 1.00 0.00 H new ATOM 0 HB THR A 61 -15.137 -0.958 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.541 0.587 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.926 -2.564 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.578 -3.349 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.084 -2.972 0.037 1.00 0.00 H new ATOM 919 N LYS A 62 -12.831 -1.929 0.301 1.00 0.00 N ATOM 920 CA LYS A 62 -11.678 -2.806 0.135 1.00 0.00 C ATOM 921 C LYS A 62 -11.191 -3.326 1.483 1.00 0.00 C ATOM 922 O LYS A 62 -11.021 -4.531 1.670 1.00 0.00 O ATOM 923 CB LYS A 62 -10.545 -2.063 -0.577 1.00 0.00 C ATOM 924 CG LYS A 62 -9.531 -2.984 -1.233 1.00 0.00 C ATOM 925 CD LYS A 62 -8.511 -2.203 -2.044 1.00 0.00 C ATOM 926 CE LYS A 62 -7.358 -3.088 -2.491 1.00 0.00 C ATOM 927 NZ LYS A 62 -7.647 -3.764 -3.786 1.00 0.00 N ATOM 0 H LYS A 62 -12.692 -0.980 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.985 -3.657 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.972 -1.408 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.032 -1.425 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.019 -3.567 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.047 -3.692 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.996 -1.767 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.126 -1.376 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.455 -2.486 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.159 -3.839 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.837 -4.358 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.494 -4.359 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.812 -3.048 -4.522 1.00 0.00 H new ATOM 941 N ALA A 63 -10.969 -2.410 2.420 1.00 0.00 N ATOM 942 CA ALA A 63 -10.504 -2.778 3.753 1.00 0.00 C ATOM 943 C ALA A 63 -11.379 -3.871 4.356 1.00 0.00 C ATOM 944 O ALA A 63 -10.879 -4.798 4.993 1.00 0.00 O ATOM 945 CB ALA A 63 -10.482 -1.556 4.659 1.00 0.00 C ATOM 0 H ALA A 63 -11.103 -1.408 2.281 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.490 -3.169 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.133 -1.844 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.810 -0.806 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.487 -1.141 4.734 1.00 0.00 H new ATOM 951 N ALA A 64 -12.687 -3.756 4.153 1.00 0.00 N ATOM 952 CA ALA A 64 -13.631 -4.735 4.677 1.00 0.00 C ATOM 953 C ALA A 64 -13.170 -6.157 4.375 1.00 0.00 C ATOM 954 O ALA A 64 -13.021 -6.979 5.280 1.00 0.00 O ATOM 955 CB ALA A 64 -15.018 -4.494 4.099 1.00 0.00 C ATOM 0 H ALA A 64 -13.117 -2.994 3.629 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.676 -4.617 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.712 -5.233 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.356 -3.494 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.980 -4.583 3.013 1.00 0.00 H new