USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 414 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 50 CYS SG : rot 80:sc= 0.178 USER MOD Set 1.2: A 53 CYS SG : rot -51:sc= -1.39 USER MOD Set 1.3: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 66 HIS : no HD1:sc= -1.28 K(o=-3.4,f=-2.2) USER MOD Set 1.5: A 70 CYS SG : rot 143:sc= -0.901 USER MOD Set 2.1: A 18 CYS SG : rot 164:sc= 1 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -0.297 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.83 K(o=-1.7,f=-5.5!) USER MOD Set 2.4: A 39 HIS : no HD1:sc= -0.622 X(o=-1.7,f=-1.8) USER MOD Set 3.1: A 19 SER OG : rot 133:sc= 0.282 USER MOD Set 3.2: A 20 HIS : no HE2:sc= -2.18 K(o=-1.9,f=-5.9) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.518 K(o=-0.52,f=-3.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.163 K(o=-0.16,f=-6.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -166:sc= -0.055 (180deg=-0.433) USER MOD Single : A 69 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 16 -17.324 4.455 3.574 1.00 0.00 N ATOM 194 CA TYR A 16 -16.273 5.023 2.738 1.00 0.00 C ATOM 195 C TYR A 16 -16.740 5.157 1.292 1.00 0.00 C ATOM 196 O TYR A 16 -16.820 4.171 0.560 1.00 0.00 O ATOM 197 CB TYR A 16 -15.016 4.154 2.802 1.00 0.00 C ATOM 198 CG TYR A 16 -14.554 3.860 4.211 1.00 0.00 C ATOM 199 CD1 TYR A 16 -15.156 2.863 4.967 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.513 4.579 4.786 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.738 2.591 6.255 1.00 0.00 C ATOM 202 CE2 TYR A 16 -13.086 4.314 6.073 1.00 0.00 C ATOM 203 CZ TYR A 16 -13.702 3.319 6.803 1.00 0.00 C ATOM 204 OH TYR A 16 -13.281 3.051 8.086 1.00 0.00 O ATOM 0 HA TYR A 16 -16.039 6.017 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -15.209 3.212 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.212 4.653 2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.966 2.290 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.029 5.359 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -15.219 1.813 6.830 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.275 4.882 6.505 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.543 3.651 8.320 1.00 0.00 H new ATOM 214 N ALA A 17 -17.046 6.386 0.887 1.00 0.00 N ATOM 215 CA ALA A 17 -17.501 6.651 -0.472 1.00 0.00 C ATOM 216 C ALA A 17 -16.537 7.579 -1.203 1.00 0.00 C ATOM 217 O ALA A 17 -16.378 8.742 -0.834 1.00 0.00 O ATOM 218 CB ALA A 17 -18.900 7.251 -0.451 1.00 0.00 C ATOM 0 H ALA A 17 -16.987 7.213 1.481 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.530 5.704 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.228 7.444 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.588 6.553 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -18.886 8.186 0.109 1.00 0.00 H new ATOM 224 N CYS A 18 -15.894 7.056 -2.242 1.00 0.00 N ATOM 225 CA CYS A 18 -14.944 7.836 -3.025 1.00 0.00 C ATOM 226 C CYS A 18 -15.532 9.193 -3.400 1.00 0.00 C ATOM 227 O CYS A 18 -16.739 9.323 -3.605 1.00 0.00 O ATOM 228 CB CYS A 18 -14.546 7.073 -4.291 1.00 0.00 C ATOM 229 SG CYS A 18 -13.070 7.737 -5.127 1.00 0.00 S ATOM 0 H CYS A 18 -16.014 6.095 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 18 -14.057 8.001 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.365 6.030 -4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.383 7.087 -4.989 1.00 0.00 H new ATOM 0 HG CYS A 18 -12.613 6.855 -5.966 1.00 0.00 H new ATOM 234 N SER A 19 -14.671 10.201 -3.488 1.00 0.00 N ATOM 235 CA SER A 19 -15.105 11.549 -3.835 1.00 0.00 C ATOM 236 C SER A 19 -15.068 11.761 -5.346 1.00 0.00 C ATOM 237 O SER A 19 -16.036 12.233 -5.942 1.00 0.00 O ATOM 238 CB SER A 19 -14.220 12.587 -3.142 1.00 0.00 C ATOM 239 OG SER A 19 -12.867 12.454 -3.544 1.00 0.00 O ATOM 0 H SER A 19 -13.668 10.110 -3.324 1.00 0.00 H new ATOM 0 HA SER A 19 -16.133 11.671 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.576 13.590 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.295 12.470 -2.061 1.00 0.00 H new ATOM 0 HG SER A 19 -12.505 13.336 -3.772 1.00 0.00 H new ATOM 245 N HIS A 20 -13.943 11.407 -5.959 1.00 0.00 N ATOM 246 CA HIS A 20 -13.778 11.556 -7.401 1.00 0.00 C ATOM 247 C HIS A 20 -14.885 10.823 -8.153 1.00 0.00 C ATOM 248 O HIS A 20 -15.361 11.290 -9.188 1.00 0.00 O ATOM 249 CB HIS A 20 -12.412 11.027 -7.837 1.00 0.00 C ATOM 250 CG HIS A 20 -11.264 11.851 -7.340 1.00 0.00 C ATOM 251 ND1 HIS A 20 -11.230 12.413 -6.081 1.00 0.00 N ATOM 252 CD2 HIS A 20 -10.104 12.207 -7.940 1.00 0.00 C ATOM 253 CE1 HIS A 20 -10.100 13.079 -5.929 1.00 0.00 C ATOM 254 NE2 HIS A 20 -9.398 12.969 -7.042 1.00 0.00 N ATOM 0 H HIS A 20 -13.132 11.015 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.841 12.617 -7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.296 10.004 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.377 10.989 -8.926 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.963 12.328 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.792 11.941 -8.939 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.801 13.622 -5.044 1.00 0.00 H new ATOM 262 N CYS A 21 -15.289 9.672 -7.626 1.00 0.00 N ATOM 263 CA CYS A 21 -16.338 8.872 -8.247 1.00 0.00 C ATOM 264 C CYS A 21 -17.424 8.520 -7.235 1.00 0.00 C ATOM 265 O CYS A 21 -17.371 8.941 -6.080 1.00 0.00 O ATOM 266 CB CYS A 21 -15.747 7.593 -8.844 1.00 0.00 C ATOM 267 SG CYS A 21 -15.101 6.424 -7.606 1.00 0.00 S ATOM 0 H CYS A 21 -14.905 9.272 -6.770 1.00 0.00 H new ATOM 0 HA CYS A 21 -16.787 9.463 -9.045 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.514 7.093 -9.435 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.942 7.862 -9.528 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.293 7.047 -6.801 1.00 0.00 H new ATOM 272 N ASP A 22 -18.407 7.744 -7.678 1.00 0.00 N ATOM 273 CA ASP A 22 -19.506 7.333 -6.812 1.00 0.00 C ATOM 274 C ASP A 22 -19.326 5.889 -6.354 1.00 0.00 C ATOM 275 O ASP A 22 -20.257 5.085 -6.418 1.00 0.00 O ATOM 276 CB ASP A 22 -20.843 7.488 -7.539 1.00 0.00 C ATOM 277 CG ASP A 22 -22.018 7.551 -6.583 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.037 8.458 -5.725 1.00 0.00 O ATOM 279 OD2 ASP A 22 -22.919 6.693 -6.694 1.00 0.00 O ATOM 0 H ASP A 22 -18.465 7.387 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 22 -19.503 7.977 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.821 8.395 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.980 6.651 -8.224 1.00 0.00 H new ATOM 284 N LYS A 23 -18.123 5.565 -5.894 1.00 0.00 N ATOM 285 CA LYS A 23 -17.820 4.218 -5.425 1.00 0.00 C ATOM 286 C LYS A 23 -17.743 4.176 -3.902 1.00 0.00 C ATOM 287 O LYS A 23 -17.393 5.167 -3.260 1.00 0.00 O ATOM 288 CB LYS A 23 -16.499 3.732 -6.026 1.00 0.00 C ATOM 289 CG LYS A 23 -16.617 3.283 -7.472 1.00 0.00 C ATOM 290 CD LYS A 23 -16.910 1.796 -7.573 1.00 0.00 C ATOM 291 CE LYS A 23 -15.631 0.985 -7.723 1.00 0.00 C ATOM 292 NZ LYS A 23 -15.777 -0.388 -7.166 1.00 0.00 N ATOM 0 H LYS A 23 -17.341 6.217 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.625 3.558 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.764 4.534 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.120 2.904 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.410 3.845 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.691 3.509 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.447 1.469 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.563 1.610 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.362 0.923 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.814 1.498 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.885 -0.909 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.009 -0.329 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.540 -0.887 -7.667 1.00 0.00 H new ATOM 306 N THR A 24 -18.071 3.022 -3.329 1.00 0.00 N ATOM 307 CA THR A 24 -18.040 2.851 -1.882 1.00 0.00 C ATOM 308 C THR A 24 -17.259 1.601 -1.493 1.00 0.00 C ATOM 309 O THR A 24 -17.120 0.671 -2.288 1.00 0.00 O ATOM 310 CB THR A 24 -19.461 2.759 -1.296 1.00 0.00 C ATOM 311 OG1 THR A 24 -20.138 1.615 -1.830 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.257 4.017 -1.607 1.00 0.00 C ATOM 0 H THR A 24 -18.361 2.192 -3.846 1.00 0.00 H new ATOM 0 HA THR A 24 -17.543 3.729 -1.471 1.00 0.00 H new ATOM 0 HB THR A 24 -19.378 2.659 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.040 1.563 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.257 3.929 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.754 4.882 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.331 4.143 -2.687 1.00 0.00 H new ATOM 320 N PHE A 25 -16.752 1.583 -0.265 1.00 0.00 N ATOM 321 CA PHE A 25 -15.985 0.446 0.230 1.00 0.00 C ATOM 322 C PHE A 25 -16.139 0.302 1.741 1.00 0.00 C ATOM 323 O PHE A 25 -16.273 1.292 2.459 1.00 0.00 O ATOM 324 CB PHE A 25 -14.507 0.605 -0.131 1.00 0.00 C ATOM 325 CG PHE A 25 -14.280 1.065 -1.543 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.501 2.385 -1.899 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.846 0.176 -2.513 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.293 2.811 -3.198 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.636 0.596 -3.813 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.861 1.915 -4.156 1.00 0.00 C ATOM 0 H PHE A 25 -16.859 2.344 0.406 1.00 0.00 H new ATOM 0 HA PHE A 25 -16.373 -0.456 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.049 1.319 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.000 -0.349 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.840 3.090 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.670 -0.857 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.468 3.843 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.296 -0.106 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.699 2.245 -5.172 1.00 0.00 H new ATOM 340 N ARG A 26 -16.120 -0.940 2.216 1.00 0.00 N ATOM 341 CA ARG A 26 -16.259 -1.215 3.641 1.00 0.00 C ATOM 342 C ARG A 26 -15.102 -0.606 4.428 1.00 0.00 C ATOM 343 O ARG A 26 -15.312 0.203 5.330 1.00 0.00 O ATOM 344 CB ARG A 26 -16.320 -2.723 3.887 1.00 0.00 C ATOM 345 CG ARG A 26 -17.039 -3.102 5.171 1.00 0.00 C ATOM 346 CD ARG A 26 -17.118 -4.611 5.341 1.00 0.00 C ATOM 347 NE ARG A 26 -17.943 -4.991 6.485 1.00 0.00 N ATOM 348 CZ ARG A 26 -18.378 -6.228 6.699 1.00 0.00 C ATOM 349 NH1 ARG A 26 -18.068 -7.199 5.852 1.00 0.00 N ATOM 350 NH2 ARG A 26 -19.125 -6.495 7.763 1.00 0.00 N ATOM 0 H ARG A 26 -16.010 -1.771 1.635 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.188 -0.760 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.822 -3.200 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.305 -3.119 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.518 -2.666 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -18.045 -2.683 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.528 -5.057 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.113 -5.014 5.469 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.199 -4.267 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.494 -6.998 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.403 -8.148 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.366 -5.750 8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.459 -7.445 7.927 1.00 0.00 H new ATOM 364 N GLN A 27 -13.883 -1.003 4.078 1.00 0.00 N ATOM 365 CA GLN A 27 -12.693 -0.497 4.753 1.00 0.00 C ATOM 366 C GLN A 27 -12.014 0.585 3.921 1.00 0.00 C ATOM 367 O GLN A 27 -12.106 0.589 2.693 1.00 0.00 O ATOM 368 CB GLN A 27 -11.712 -1.639 5.026 1.00 0.00 C ATOM 369 CG GLN A 27 -12.269 -2.713 5.946 1.00 0.00 C ATOM 370 CD GLN A 27 -12.073 -2.385 7.413 1.00 0.00 C ATOM 371 OE1 GLN A 27 -13.039 -2.227 8.160 1.00 0.00 O ATOM 372 NE2 GLN A 27 -10.818 -2.281 7.834 1.00 0.00 N ATOM 0 H GLN A 27 -13.693 -1.672 3.332 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.002 -0.059 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.427 -2.096 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.804 -1.229 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.333 -2.842 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.785 -3.664 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.048 -2.420 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.624 -2.062 8.811 1.00 0.00 H new ATOM 381 N LYS A 28 -11.331 1.503 4.597 1.00 0.00 N ATOM 382 CA LYS A 28 -10.635 2.591 3.921 1.00 0.00 C ATOM 383 C LYS A 28 -9.547 2.050 2.998 1.00 0.00 C ATOM 384 O LYS A 28 -9.229 2.659 1.977 1.00 0.00 O ATOM 385 CB LYS A 28 -10.020 3.546 4.947 1.00 0.00 C ATOM 386 CG LYS A 28 -8.865 2.940 5.726 1.00 0.00 C ATOM 387 CD LYS A 28 -7.535 3.190 5.035 1.00 0.00 C ATOM 388 CE LYS A 28 -6.363 2.841 5.939 1.00 0.00 C ATOM 389 NZ LYS A 28 -5.970 3.987 6.805 1.00 0.00 N ATOM 0 H LYS A 28 -11.245 1.515 5.613 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.362 3.135 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.671 4.442 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.794 3.861 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.840 3.364 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.023 1.867 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.481 2.597 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.469 4.237 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.628 1.988 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.512 2.538 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.168 3.709 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.693 4.793 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.774 4.260 7.405 1.00 0.00 H new ATOM 403 N GLN A 29 -8.983 0.904 3.364 1.00 0.00 N ATOM 404 CA GLN A 29 -7.931 0.282 2.568 1.00 0.00 C ATOM 405 C GLN A 29 -8.397 0.056 1.133 1.00 0.00 C ATOM 406 O GLN A 29 -7.652 0.298 0.182 1.00 0.00 O ATOM 407 CB GLN A 29 -7.506 -1.047 3.194 1.00 0.00 C ATOM 408 CG GLN A 29 -6.275 -1.659 2.546 1.00 0.00 C ATOM 409 CD GLN A 29 -4.985 -1.030 3.034 1.00 0.00 C ATOM 410 OE1 GLN A 29 -4.777 0.175 2.893 1.00 0.00 O ATOM 411 NE2 GLN A 29 -4.110 -1.845 3.611 1.00 0.00 N ATOM 0 H GLN A 29 -9.236 0.387 4.206 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.075 0.957 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.309 -0.893 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.333 -1.753 3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.254 -2.729 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.344 -1.545 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.324 -2.838 3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.224 -1.478 3.958 1.00 0.00 H new ATOM 420 N LEU A 30 -9.632 -0.408 0.983 1.00 0.00 N ATOM 421 CA LEU A 30 -10.198 -0.668 -0.336 1.00 0.00 C ATOM 422 C LEU A 30 -10.375 0.630 -1.117 1.00 0.00 C ATOM 423 O LEU A 30 -9.990 0.723 -2.284 1.00 0.00 O ATOM 424 CB LEU A 30 -11.543 -1.384 -0.204 1.00 0.00 C ATOM 425 CG LEU A 30 -11.479 -2.875 0.130 1.00 0.00 C ATOM 426 CD1 LEU A 30 -10.538 -3.596 -0.823 1.00 0.00 C ATOM 427 CD2 LEU A 30 -11.040 -3.080 1.572 1.00 0.00 C ATOM 0 H LEU A 30 -10.262 -0.612 1.759 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.505 -1.308 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.124 -0.883 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.089 -1.265 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.477 -3.297 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.505 -4.656 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.896 -3.478 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.538 -3.172 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.000 -4.147 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.052 -2.642 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.753 -2.598 2.241 1.00 0.00 H new ATOM 439 N LEU A 31 -10.957 1.632 -0.467 1.00 0.00 N ATOM 440 CA LEU A 31 -11.183 2.926 -1.099 1.00 0.00 C ATOM 441 C LEU A 31 -9.862 3.640 -1.366 1.00 0.00 C ATOM 442 O LEU A 31 -9.779 4.512 -2.232 1.00 0.00 O ATOM 443 CB LEU A 31 -12.078 3.798 -0.217 1.00 0.00 C ATOM 444 CG LEU A 31 -12.148 5.280 -0.588 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.609 5.449 -2.027 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.074 6.025 0.362 1.00 0.00 C ATOM 0 H LEU A 31 -11.281 1.572 0.498 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.681 2.754 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.088 3.390 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.728 3.718 0.812 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.148 5.705 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.653 6.510 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.907 4.950 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.599 5.008 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.111 7.078 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.075 5.598 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.700 5.933 1.382 1.00 0.00 H new ATOM 458 N ASP A 32 -8.831 3.264 -0.618 1.00 0.00 N ATOM 459 CA ASP A 32 -7.512 3.866 -0.775 1.00 0.00 C ATOM 460 C ASP A 32 -6.791 3.285 -1.988 1.00 0.00 C ATOM 461 O ASP A 32 -6.191 4.017 -2.775 1.00 0.00 O ATOM 462 CB ASP A 32 -6.674 3.646 0.485 1.00 0.00 C ATOM 463 CG ASP A 32 -5.489 4.588 0.564 1.00 0.00 C ATOM 464 OD1 ASP A 32 -4.536 4.411 -0.225 1.00 0.00 O ATOM 465 OD2 ASP A 32 -5.514 5.502 1.414 1.00 0.00 O ATOM 0 H ASP A 32 -8.883 2.545 0.103 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.645 4.937 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.303 3.783 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.318 2.616 0.506 1.00 0.00 H new ATOM 470 N MET A 33 -6.854 1.966 -2.132 1.00 0.00 N ATOM 471 CA MET A 33 -6.207 1.287 -3.249 1.00 0.00 C ATOM 472 C MET A 33 -6.993 1.496 -4.540 1.00 0.00 C ATOM 473 O MET A 33 -6.413 1.592 -5.622 1.00 0.00 O ATOM 474 CB MET A 33 -6.071 -0.208 -2.956 1.00 0.00 C ATOM 475 CG MET A 33 -7.403 -0.909 -2.746 1.00 0.00 C ATOM 476 SD MET A 33 -7.214 -2.575 -2.082 1.00 0.00 S ATOM 477 CE MET A 33 -7.792 -3.558 -3.464 1.00 0.00 C ATOM 0 H MET A 33 -7.346 1.346 -1.489 1.00 0.00 H new ATOM 0 HA MET A 33 -5.213 1.716 -3.376 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.545 -0.686 -3.782 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.455 -0.341 -2.066 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.017 -0.318 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.937 -0.959 -3.695 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.736 -4.616 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.825 -3.294 -3.691 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.167 -3.363 -4.336 1.00 0.00 H new ATOM 487 N HIS A 34 -8.315 1.564 -4.419 1.00 0.00 N ATOM 488 CA HIS A 34 -9.179 1.761 -5.576 1.00 0.00 C ATOM 489 C HIS A 34 -8.804 3.037 -6.324 1.00 0.00 C ATOM 490 O HIS A 34 -8.747 3.054 -7.554 1.00 0.00 O ATOM 491 CB HIS A 34 -10.644 1.823 -5.141 1.00 0.00 C ATOM 492 CG HIS A 34 -11.495 2.683 -6.023 1.00 0.00 C ATOM 493 ND1 HIS A 34 -12.136 2.206 -7.147 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.811 3.997 -5.941 1.00 0.00 C ATOM 495 CE1 HIS A 34 -12.808 3.190 -7.718 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.627 4.287 -7.006 1.00 0.00 N ATOM 0 H HIS A 34 -8.811 1.485 -3.531 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.043 0.914 -6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -11.054 0.813 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.696 2.201 -4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.482 4.688 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.404 3.110 -8.615 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.028 5.201 -7.214 1.00 0.00 H new ATOM 504 N PHE A 35 -8.550 4.104 -5.573 1.00 0.00 N ATOM 505 CA PHE A 35 -8.183 5.385 -6.165 1.00 0.00 C ATOM 506 C PHE A 35 -6.850 5.281 -6.901 1.00 0.00 C ATOM 507 O PHE A 35 -6.766 5.552 -8.099 1.00 0.00 O ATOM 508 CB PHE A 35 -8.098 6.464 -5.084 1.00 0.00 C ATOM 509 CG PHE A 35 -7.742 7.822 -5.619 1.00 0.00 C ATOM 510 CD1 PHE A 35 -6.471 8.077 -6.107 1.00 0.00 C ATOM 511 CD2 PHE A 35 -8.679 8.843 -5.634 1.00 0.00 C ATOM 512 CE1 PHE A 35 -6.140 9.326 -6.599 1.00 0.00 C ATOM 513 CE2 PHE A 35 -8.354 10.093 -6.125 1.00 0.00 C ATOM 514 CZ PHE A 35 -7.084 10.334 -6.609 1.00 0.00 C ATOM 0 H PHE A 35 -8.592 4.107 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.955 5.660 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.056 6.526 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.355 6.168 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.730 7.291 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.675 8.660 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.145 9.513 -6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.093 10.881 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.829 11.310 -6.995 1.00 0.00 H new ATOM 524 N LYS A 36 -5.809 4.888 -6.175 1.00 0.00 N ATOM 525 CA LYS A 36 -4.479 4.747 -6.756 1.00 0.00 C ATOM 526 C LYS A 36 -4.448 3.612 -7.775 1.00 0.00 C ATOM 527 O LYS A 36 -3.441 3.399 -8.451 1.00 0.00 O ATOM 528 CB LYS A 36 -3.445 4.489 -5.659 1.00 0.00 C ATOM 529 CG LYS A 36 -3.179 5.697 -4.777 1.00 0.00 C ATOM 530 CD LYS A 36 -1.816 5.612 -4.110 1.00 0.00 C ATOM 531 CE LYS A 36 -1.227 6.993 -3.867 1.00 0.00 C ATOM 532 NZ LYS A 36 -1.624 7.540 -2.541 1.00 0.00 N ATOM 0 H LYS A 36 -5.861 4.661 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.233 5.678 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.787 3.663 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.509 4.173 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.236 6.606 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.954 5.769 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.906 5.082 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.139 5.032 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.140 6.940 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.557 7.672 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.202 8.482 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.660 7.615 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.287 6.906 -1.789 1.00 0.00 H new ATOM 546 N ARG A 37 -5.558 2.888 -7.882 1.00 0.00 N ATOM 547 CA ARG A 37 -5.657 1.776 -8.819 1.00 0.00 C ATOM 548 C ARG A 37 -6.328 2.216 -10.116 1.00 0.00 C ATOM 549 O ARG A 37 -5.722 2.172 -11.187 1.00 0.00 O ATOM 550 CB ARG A 37 -6.442 0.622 -8.192 1.00 0.00 C ATOM 551 CG ARG A 37 -6.736 -0.512 -9.161 1.00 0.00 C ATOM 552 CD ARG A 37 -7.636 -1.564 -8.531 1.00 0.00 C ATOM 553 NE ARG A 37 -7.669 -2.796 -9.315 1.00 0.00 N ATOM 554 CZ ARG A 37 -8.138 -3.949 -8.852 1.00 0.00 C ATOM 555 NH1 ARG A 37 -8.611 -4.027 -7.616 1.00 0.00 N ATOM 556 NH2 ARG A 37 -8.134 -5.027 -9.626 1.00 0.00 N ATOM 0 H ARG A 37 -6.401 3.052 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.647 1.437 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.879 0.229 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.383 1.006 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.213 -0.113 -10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.801 -0.974 -9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.285 -1.785 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.647 -1.167 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.312 -2.769 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.615 -3.200 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.971 -4.914 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.770 -4.970 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.494 -5.912 -9.270 1.00 0.00 H new ATOM 570 N TYR A 38 -7.583 2.640 -10.013 1.00 0.00 N ATOM 571 CA TYR A 38 -8.338 3.086 -11.178 1.00 0.00 C ATOM 572 C TYR A 38 -7.861 4.458 -11.644 1.00 0.00 C ATOM 573 O TYR A 38 -7.286 4.595 -12.724 1.00 0.00 O ATOM 574 CB TYR A 38 -9.832 3.135 -10.855 1.00 0.00 C ATOM 575 CG TYR A 38 -10.500 1.779 -10.870 1.00 0.00 C ATOM 576 CD1 TYR A 38 -10.179 0.815 -9.922 1.00 0.00 C ATOM 577 CD2 TYR A 38 -11.451 1.461 -11.832 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.787 -0.426 -9.932 1.00 0.00 C ATOM 579 CE2 TYR A 38 -12.064 0.224 -11.849 1.00 0.00 C ATOM 580 CZ TYR A 38 -11.728 -0.717 -10.897 1.00 0.00 C ATOM 581 OH TYR A 38 -12.336 -1.951 -10.911 1.00 0.00 O ATOM 0 H TYR A 38 -8.099 2.684 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.171 2.371 -11.983 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.968 3.587 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.330 3.784 -11.576 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.442 1.039 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -11.715 2.194 -12.580 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.526 -1.164 -9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.802 -0.006 -12.603 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.974 -1.993 -11.654 1.00 0.00 H new ATOM 591 N HIS A 39 -8.103 5.473 -10.820 1.00 0.00 N ATOM 592 CA HIS A 39 -7.698 6.835 -11.146 1.00 0.00 C ATOM 593 C HIS A 39 -6.202 6.902 -11.441 1.00 0.00 C ATOM 594 O HIS A 39 -5.716 7.873 -12.020 1.00 0.00 O ATOM 595 CB HIS A 39 -8.045 7.782 -9.997 1.00 0.00 C ATOM 596 CG HIS A 39 -9.503 7.796 -9.652 1.00 0.00 C ATOM 597 ND1 HIS A 39 -10.494 8.021 -10.584 1.00 0.00 N ATOM 598 CD2 HIS A 39 -10.135 7.609 -8.470 1.00 0.00 C ATOM 599 CE1 HIS A 39 -11.673 7.974 -9.989 1.00 0.00 C ATOM 600 NE2 HIS A 39 -11.483 7.725 -8.706 1.00 0.00 N ATOM 0 H HIS A 39 -8.577 5.377 -9.922 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.241 7.144 -12.039 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.474 7.494 -9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.733 8.792 -10.263 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.667 7.406 -7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.630 8.115 -10.470 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.218 7.634 -8.005 1.00 0.00 H new ATOM 608 N ASP A 40 -5.478 5.863 -11.038 1.00 0.00 N ATOM 609 CA ASP A 40 -4.038 5.804 -11.259 1.00 0.00 C ATOM 610 C ASP A 40 -3.604 4.389 -11.629 1.00 0.00 C ATOM 611 O ASP A 40 -3.694 3.456 -10.831 1.00 0.00 O ATOM 612 CB ASP A 40 -3.289 6.270 -10.009 1.00 0.00 C ATOM 613 CG ASP A 40 -3.629 7.697 -9.630 1.00 0.00 C ATOM 614 OD1 ASP A 40 -4.833 8.010 -9.513 1.00 0.00 O ATOM 615 OD2 ASP A 40 -2.691 8.502 -9.448 1.00 0.00 O ATOM 0 H ASP A 40 -5.865 5.051 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.794 6.469 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.530 5.609 -9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.216 6.188 -10.180 1.00 0.00 H new ATOM 620 N PRO A 41 -3.122 4.223 -12.870 1.00 0.00 N ATOM 621 CA PRO A 41 -2.664 2.926 -13.375 1.00 0.00 C ATOM 622 C PRO A 41 -1.373 2.466 -12.706 1.00 0.00 C ATOM 623 O PRO A 41 -0.823 1.421 -13.051 1.00 0.00 O ATOM 624 CB PRO A 41 -2.431 3.187 -14.865 1.00 0.00 C ATOM 625 CG PRO A 41 -2.160 4.649 -14.955 1.00 0.00 C ATOM 626 CD PRO A 41 -2.985 5.291 -13.875 1.00 0.00 C ATOM 0 HA PRO A 41 -3.385 2.133 -13.175 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.591 2.605 -15.242 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.303 2.909 -15.457 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.100 4.859 -14.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.433 5.037 -15.937 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.492 6.171 -13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.955 5.616 -14.250 1.00 0.00 H new ATOM 634 N ASN A 42 -0.896 3.253 -11.748 1.00 0.00 N ATOM 635 CA ASN A 42 0.332 2.926 -11.031 1.00 0.00 C ATOM 636 C ASN A 42 0.119 1.732 -10.105 1.00 0.00 C ATOM 637 O ASN A 42 0.773 0.698 -10.248 1.00 0.00 O ATOM 638 CB ASN A 42 0.812 4.133 -10.223 1.00 0.00 C ATOM 639 CG ASN A 42 0.837 5.407 -11.045 1.00 0.00 C ATOM 640 OD1 ASN A 42 0.020 6.306 -10.843 1.00 0.00 O ATOM 641 ND2 ASN A 42 1.778 5.489 -11.979 1.00 0.00 N ATOM 0 H ASN A 42 -1.340 4.121 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 42 1.093 2.663 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.159 4.273 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.812 3.934 -9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.845 6.322 -12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.434 4.719 -12.111 1.00 0.00 H new ATOM 708 N ALA A 47 -1.840 -10.566 -7.905 1.00 0.00 N ATOM 709 CA ALA A 47 -2.718 -11.694 -8.192 1.00 0.00 C ATOM 710 C ALA A 47 -1.927 -12.885 -8.721 1.00 0.00 C ATOM 711 O ALA A 47 -1.448 -12.871 -9.856 1.00 0.00 O ATOM 712 CB ALA A 47 -3.792 -11.285 -9.190 1.00 0.00 C ATOM 0 HA ALA A 47 -3.198 -11.996 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.441 -12.136 -9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.384 -10.470 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.321 -10.955 -10.116 1.00 0.00 H new ATOM 718 N PHE A 48 -1.792 -13.915 -7.893 1.00 0.00 N ATOM 719 CA PHE A 48 -1.057 -15.115 -8.277 1.00 0.00 C ATOM 720 C PHE A 48 -1.832 -16.373 -7.897 1.00 0.00 C ATOM 721 O PHE A 48 -1.871 -16.763 -6.730 1.00 0.00 O ATOM 722 CB PHE A 48 0.320 -15.130 -7.611 1.00 0.00 C ATOM 723 CG PHE A 48 1.194 -13.977 -8.014 1.00 0.00 C ATOM 724 CD1 PHE A 48 2.002 -14.062 -9.136 1.00 0.00 C ATOM 725 CD2 PHE A 48 1.207 -12.807 -7.271 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.807 -13.002 -9.510 1.00 0.00 C ATOM 727 CE2 PHE A 48 2.009 -11.744 -7.640 1.00 0.00 C ATOM 728 CZ PHE A 48 2.811 -11.842 -8.760 1.00 0.00 C ATOM 0 H PHE A 48 -2.182 -13.943 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.929 -15.102 -9.359 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.191 -15.117 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.825 -16.063 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.003 -14.967 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.583 -12.725 -6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.432 -13.081 -10.387 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.009 -10.837 -7.053 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.440 -11.013 -9.049 1.00 0.00 H new ATOM 738 N VAL A 49 -2.450 -17.003 -8.891 1.00 0.00 N ATOM 739 CA VAL A 49 -3.224 -18.217 -8.663 1.00 0.00 C ATOM 740 C VAL A 49 -2.408 -19.461 -8.997 1.00 0.00 C ATOM 741 O VAL A 49 -1.685 -19.493 -9.993 1.00 0.00 O ATOM 742 CB VAL A 49 -4.517 -18.225 -9.500 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.033 -19.645 -9.672 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.573 -17.339 -8.858 1.00 0.00 C ATOM 0 H VAL A 49 -2.430 -16.692 -9.862 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.485 -18.231 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.292 -17.824 -10.488 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.947 -19.631 -10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.280 -20.247 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.243 -20.077 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.480 -17.357 -9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.797 -17.707 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.200 -16.317 -8.793 1.00 0.00 H new ATOM 754 N CYS A 50 -2.528 -20.484 -8.157 1.00 0.00 N ATOM 755 CA CYS A 50 -1.801 -21.731 -8.362 1.00 0.00 C ATOM 756 C CYS A 50 -2.317 -22.465 -9.597 1.00 0.00 C ATOM 757 O CYS A 50 -3.525 -22.599 -9.792 1.00 0.00 O ATOM 758 CB CYS A 50 -1.931 -22.629 -7.130 1.00 0.00 C ATOM 759 SG CYS A 50 -0.640 -23.908 -7.003 1.00 0.00 S ATOM 0 H CYS A 50 -3.122 -20.474 -7.328 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.750 -21.489 -8.518 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.901 -22.007 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.907 -23.114 -7.148 1.00 0.00 H new ATOM 0 HG CYS A 50 0.448 -23.380 -6.527 1.00 0.00 H new ATOM 764 N SER A 51 -1.393 -22.937 -10.427 1.00 0.00 N ATOM 765 CA SER A 51 -1.754 -23.654 -11.644 1.00 0.00 C ATOM 766 C SER A 51 -1.872 -25.152 -11.378 1.00 0.00 C ATOM 767 O SER A 51 -2.199 -25.930 -12.275 1.00 0.00 O ATOM 768 CB SER A 51 -0.714 -23.400 -12.738 1.00 0.00 C ATOM 769 OG SER A 51 -1.048 -22.255 -13.502 1.00 0.00 O ATOM 0 H SER A 51 -0.389 -22.836 -10.279 1.00 0.00 H new ATOM 0 HA SER A 51 -2.723 -23.285 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.269 -23.266 -12.286 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.648 -24.270 -13.391 1.00 0.00 H new ATOM 0 HG SER A 51 -0.368 -22.113 -14.193 1.00 0.00 H new ATOM 775 N LYS A 52 -1.605 -25.549 -10.139 1.00 0.00 N ATOM 776 CA LYS A 52 -1.682 -26.952 -9.751 1.00 0.00 C ATOM 777 C LYS A 52 -3.051 -27.280 -9.164 1.00 0.00 C ATOM 778 O LYS A 52 -3.755 -28.161 -9.659 1.00 0.00 O ATOM 779 CB LYS A 52 -0.587 -27.283 -8.734 1.00 0.00 C ATOM 780 CG LYS A 52 0.813 -26.941 -9.214 1.00 0.00 C ATOM 781 CD LYS A 52 1.868 -27.748 -8.477 1.00 0.00 C ATOM 782 CE LYS A 52 2.001 -29.149 -9.052 1.00 0.00 C ATOM 783 NZ LYS A 52 2.968 -29.195 -10.184 1.00 0.00 N ATOM 0 H LYS A 52 -1.333 -24.918 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.534 -27.558 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.787 -26.743 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.631 -28.346 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.889 -27.133 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.999 -25.877 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.828 -27.236 -8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.607 -27.811 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.326 -29.834 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.026 -29.495 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.030 -30.167 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.645 -28.561 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.905 -28.889 -9.853 1.00 0.00 H new ATOM 797 N CYS A 53 -3.424 -26.565 -8.108 1.00 0.00 N ATOM 798 CA CYS A 53 -4.709 -26.779 -7.454 1.00 0.00 C ATOM 799 C CYS A 53 -5.713 -25.705 -7.864 1.00 0.00 C ATOM 800 O CYS A 53 -6.874 -25.999 -8.142 1.00 0.00 O ATOM 801 CB CYS A 53 -4.538 -26.780 -5.934 1.00 0.00 C ATOM 802 SG CYS A 53 -3.875 -25.224 -5.259 1.00 0.00 S ATOM 0 H CYS A 53 -2.854 -25.832 -7.687 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.092 -27.749 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.504 -26.982 -5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.873 -27.597 -5.655 1.00 0.00 H new ATOM 0 HG CYS A 53 -2.804 -24.888 -5.914 1.00 0.00 H new ATOM 807 N GLY A 54 -5.255 -24.457 -7.897 1.00 0.00 N ATOM 808 CA GLY A 54 -6.125 -23.358 -8.273 1.00 0.00 C ATOM 809 C GLY A 54 -6.405 -22.418 -7.117 1.00 0.00 C ATOM 810 O GLY A 54 -7.493 -21.851 -7.017 1.00 0.00 O ATOM 0 H GLY A 54 -4.298 -24.188 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.667 -22.799 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.067 -23.757 -8.649 1.00 0.00 H new ATOM 814 N LYS A 55 -5.421 -22.254 -6.239 1.00 0.00 N ATOM 815 CA LYS A 55 -5.566 -21.377 -5.083 1.00 0.00 C ATOM 816 C LYS A 55 -5.186 -19.943 -5.436 1.00 0.00 C ATOM 817 O LYS A 55 -4.836 -19.645 -6.579 1.00 0.00 O ATOM 818 CB LYS A 55 -4.696 -21.876 -3.927 1.00 0.00 C ATOM 819 CG LYS A 55 -5.315 -23.026 -3.152 1.00 0.00 C ATOM 820 CD LYS A 55 -4.311 -23.666 -2.207 1.00 0.00 C ATOM 821 CE LYS A 55 -4.928 -24.827 -1.441 1.00 0.00 C ATOM 822 NZ LYS A 55 -3.934 -25.502 -0.562 1.00 0.00 N ATOM 0 H LYS A 55 -4.515 -22.717 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.612 -21.392 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.730 -22.193 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.506 -21.049 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.171 -22.664 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.689 -23.776 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.450 -24.020 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.944 -22.919 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.759 -24.463 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.339 -25.550 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.393 -26.287 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.153 -25.872 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.560 -24.819 0.127 1.00 0.00 H new ATOM 836 N THR A 56 -5.255 -19.056 -4.448 1.00 0.00 N ATOM 837 CA THR A 56 -4.919 -17.653 -4.655 1.00 0.00 C ATOM 838 C THR A 56 -3.849 -17.193 -3.671 1.00 0.00 C ATOM 839 O THR A 56 -3.877 -17.555 -2.495 1.00 0.00 O ATOM 840 CB THR A 56 -6.158 -16.750 -4.508 1.00 0.00 C ATOM 841 OG1 THR A 56 -6.874 -17.092 -3.316 1.00 0.00 O ATOM 842 CG2 THR A 56 -7.075 -16.889 -5.713 1.00 0.00 C ATOM 0 H THR A 56 -5.541 -19.285 -3.496 1.00 0.00 H new ATOM 0 HA THR A 56 -4.535 -17.567 -5.672 1.00 0.00 H new ATOM 0 HB THR A 56 -5.821 -15.715 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.659 -16.512 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.943 -16.242 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.536 -16.601 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.404 -17.924 -5.802 1.00 0.00 H new ATOM 850 N PHE A 57 -2.906 -16.394 -4.160 1.00 0.00 N ATOM 851 CA PHE A 57 -1.826 -15.885 -3.323 1.00 0.00 C ATOM 852 C PHE A 57 -1.576 -14.405 -3.598 1.00 0.00 C ATOM 853 O PHE A 57 -2.259 -13.789 -4.417 1.00 0.00 O ATOM 854 CB PHE A 57 -0.544 -16.684 -3.565 1.00 0.00 C ATOM 855 CG PHE A 57 -0.675 -18.143 -3.232 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.291 -19.016 -4.114 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.183 -18.641 -2.036 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.413 -20.359 -3.811 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.302 -19.983 -1.728 1.00 0.00 C ATOM 860 CZ PHE A 57 -0.919 -20.843 -2.615 1.00 0.00 C ATOM 0 H PHE A 57 -2.868 -16.085 -5.131 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.124 -15.998 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.254 -16.583 -4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.261 -16.254 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.681 -18.643 -5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.299 -17.973 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.894 -21.029 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.088 -20.359 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.015 -21.891 -2.374 1.00 0.00 H new ATOM 870 N THR A 58 -0.592 -13.839 -2.907 1.00 0.00 N ATOM 871 CA THR A 58 -0.251 -12.432 -3.075 1.00 0.00 C ATOM 872 C THR A 58 1.232 -12.257 -3.381 1.00 0.00 C ATOM 873 O THR A 58 1.616 -11.382 -4.157 1.00 0.00 O ATOM 874 CB THR A 58 -0.604 -11.615 -1.817 1.00 0.00 C ATOM 875 OG1 THR A 58 -0.287 -10.234 -2.026 1.00 0.00 O ATOM 876 CG2 THR A 58 0.152 -12.136 -0.604 1.00 0.00 C ATOM 0 H THR A 58 -0.017 -14.334 -2.225 1.00 0.00 H new ATOM 0 HA THR A 58 -0.838 -12.063 -3.916 1.00 0.00 H new ATOM 0 HB THR A 58 -1.673 -11.718 -1.631 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.515 -9.721 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.113 -11.544 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.113 -13.179 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.224 -12.059 -0.783 1.00 0.00 H new ATOM 884 N ARG A 59 2.060 -13.096 -2.768 1.00 0.00 N ATOM 885 CA ARG A 59 3.502 -13.034 -2.975 1.00 0.00 C ATOM 886 C ARG A 59 3.966 -14.147 -3.910 1.00 0.00 C ATOM 887 O ARG A 59 3.617 -15.313 -3.724 1.00 0.00 O ATOM 888 CB ARG A 59 4.236 -13.138 -1.637 1.00 0.00 C ATOM 889 CG ARG A 59 5.729 -12.869 -1.739 1.00 0.00 C ATOM 890 CD ARG A 59 6.398 -12.918 -0.374 1.00 0.00 C ATOM 891 NE ARG A 59 7.848 -13.056 -0.480 1.00 0.00 N ATOM 892 CZ ARG A 59 8.670 -12.034 -0.687 1.00 0.00 C ATOM 893 NH1 ARG A 59 8.188 -10.805 -0.809 1.00 0.00 N ATOM 894 NH2 ARG A 59 9.978 -12.240 -0.771 1.00 0.00 N ATOM 0 H ARG A 59 1.757 -13.827 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 59 3.736 -12.075 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.795 -12.431 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.082 -14.135 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.189 -13.606 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.894 -11.891 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.160 -12.010 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.995 -13.754 0.197 1.00 0.00 H new ATOM 0 HE ARG A 59 8.251 -13.989 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.183 -10.642 -0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.822 -10.022 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.353 -13.184 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.609 -11.454 -0.930 1.00 0.00 H new ATOM 908 N ARG A 60 4.753 -13.779 -4.916 1.00 0.00 N ATOM 909 CA ARG A 60 5.262 -14.746 -5.880 1.00 0.00 C ATOM 910 C ARG A 60 5.973 -15.897 -5.173 1.00 0.00 C ATOM 911 O ARG A 60 5.591 -17.057 -5.318 1.00 0.00 O ATOM 912 CB ARG A 60 6.221 -14.065 -6.859 1.00 0.00 C ATOM 913 CG ARG A 60 5.544 -13.562 -8.124 1.00 0.00 C ATOM 914 CD ARG A 60 5.569 -14.611 -9.224 1.00 0.00 C ATOM 915 NE ARG A 60 5.623 -14.008 -10.554 1.00 0.00 N ATOM 916 CZ ARG A 60 6.070 -14.644 -11.631 1.00 0.00 C ATOM 917 NH1 ARG A 60 6.499 -15.895 -11.537 1.00 0.00 N ATOM 918 NH2 ARG A 60 6.089 -14.028 -12.806 1.00 0.00 N ATOM 0 H ARG A 60 5.052 -12.818 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 60 4.414 -15.150 -6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.704 -13.226 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.007 -14.768 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.512 -13.290 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.044 -12.658 -8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.433 -15.261 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.682 -15.239 -9.146 1.00 0.00 H new ATOM 0 HE ARG A 60 5.300 -13.046 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.486 -16.372 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.842 -16.380 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.760 -13.065 -12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.432 -14.517 -13.633 1.00 0.00 H new ATOM 932 N ASN A 61 7.009 -15.565 -4.409 1.00 0.00 N ATOM 933 CA ASN A 61 7.774 -16.571 -3.681 1.00 0.00 C ATOM 934 C ASN A 61 6.845 -17.548 -2.966 1.00 0.00 C ATOM 935 O ASN A 61 6.872 -18.752 -3.225 1.00 0.00 O ATOM 936 CB ASN A 61 8.704 -15.900 -2.668 1.00 0.00 C ATOM 937 CG ASN A 61 9.968 -16.701 -2.424 1.00 0.00 C ATOM 938 OD1 ASN A 61 10.090 -17.398 -1.417 1.00 0.00 O ATOM 939 ND2 ASN A 61 10.917 -16.605 -3.348 1.00 0.00 N ATOM 0 H ASN A 61 7.338 -14.608 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 61 8.373 -17.128 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.971 -14.906 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.174 -15.767 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.790 -17.121 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.773 -16.015 -4.167 1.00 0.00 H new ATOM 946 N THR A 62 6.023 -17.022 -2.063 1.00 0.00 N ATOM 947 CA THR A 62 5.087 -17.846 -1.310 1.00 0.00 C ATOM 948 C THR A 62 4.362 -18.829 -2.223 1.00 0.00 C ATOM 949 O THR A 62 4.421 -20.041 -2.016 1.00 0.00 O ATOM 950 CB THR A 62 4.045 -16.983 -0.574 1.00 0.00 C ATOM 951 OG1 THR A 62 4.692 -16.164 0.407 1.00 0.00 O ATOM 952 CG2 THR A 62 2.997 -17.856 0.099 1.00 0.00 C ATOM 0 H THR A 62 5.987 -16.028 -1.836 1.00 0.00 H new ATOM 0 HA THR A 62 5.673 -18.400 -0.576 1.00 0.00 H new ATOM 0 HB THR A 62 3.549 -16.348 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.023 -15.617 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.272 -17.224 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.486 -18.457 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.481 -18.514 0.821 1.00 0.00 H new ATOM 960 N MET A 63 3.680 -18.299 -3.232 1.00 0.00 N ATOM 961 CA MET A 63 2.945 -19.131 -4.178 1.00 0.00 C ATOM 962 C MET A 63 3.879 -20.115 -4.876 1.00 0.00 C ATOM 963 O MET A 63 3.771 -21.326 -4.690 1.00 0.00 O ATOM 964 CB MET A 63 2.237 -18.258 -5.216 1.00 0.00 C ATOM 965 CG MET A 63 1.222 -19.015 -6.056 1.00 0.00 C ATOM 966 SD MET A 63 1.964 -19.804 -7.498 1.00 0.00 S ATOM 967 CE MET A 63 1.608 -18.592 -8.768 1.00 0.00 C ATOM 0 H MET A 63 3.621 -17.298 -3.416 1.00 0.00 H new ATOM 0 HA MET A 63 2.199 -19.698 -3.621 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.734 -17.437 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.983 -17.814 -5.875 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.740 -19.774 -5.440 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.442 -18.327 -6.384 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.776 -19.034 -9.750 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.569 -18.274 -8.686 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.262 -17.730 -8.642 1.00 0.00 H new ATOM 977 N ALA A 64 4.795 -19.585 -5.681 1.00 0.00 N ATOM 978 CA ALA A 64 5.748 -20.416 -6.405 1.00 0.00 C ATOM 979 C ALA A 64 6.212 -21.591 -5.551 1.00 0.00 C ATOM 980 O ALA A 64 6.194 -22.739 -5.995 1.00 0.00 O ATOM 981 CB ALA A 64 6.940 -19.584 -6.853 1.00 0.00 C ATOM 0 H ALA A 64 4.897 -18.584 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 64 5.247 -20.817 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.644 -20.218 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.599 -18.782 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.433 -19.155 -5.980 1.00 0.00 H new ATOM 987 N ARG A 65 6.627 -21.297 -4.323 1.00 0.00 N ATOM 988 CA ARG A 65 7.097 -22.329 -3.408 1.00 0.00 C ATOM 989 C ARG A 65 5.986 -23.327 -3.096 1.00 0.00 C ATOM 990 O ARG A 65 6.213 -24.537 -3.070 1.00 0.00 O ATOM 991 CB ARG A 65 7.608 -21.697 -2.112 1.00 0.00 C ATOM 992 CG ARG A 65 8.910 -20.930 -2.280 1.00 0.00 C ATOM 993 CD ARG A 65 9.725 -20.929 -0.996 1.00 0.00 C ATOM 994 NE ARG A 65 10.748 -19.886 -0.998 1.00 0.00 N ATOM 995 CZ ARG A 65 11.733 -19.820 -0.109 1.00 0.00 C ATOM 996 NH1 ARG A 65 11.828 -20.733 0.848 1.00 0.00 N ATOM 997 NH2 ARG A 65 12.625 -18.841 -0.177 1.00 0.00 N ATOM 0 H ARG A 65 6.647 -20.352 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 65 7.915 -22.862 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.846 -21.022 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.751 -22.480 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.496 -21.376 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.693 -19.903 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.060 -20.783 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.199 -21.902 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 65 10.704 -19.169 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.144 -21.488 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.585 -20.681 1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.555 -18.138 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.381 -18.791 0.506 1.00 0.00 H new ATOM 1011 N HIS A 66 4.784 -22.811 -2.859 1.00 0.00 N ATOM 1012 CA HIS A 66 3.637 -23.657 -2.549 1.00 0.00 C ATOM 1013 C HIS A 66 3.402 -24.681 -3.655 1.00 0.00 C ATOM 1014 O HIS A 66 3.051 -25.829 -3.387 1.00 0.00 O ATOM 1015 CB HIS A 66 2.384 -22.802 -2.355 1.00 0.00 C ATOM 1016 CG HIS A 66 1.106 -23.570 -2.498 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.595 -24.373 -1.500 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.234 -23.653 -3.529 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.535 -24.919 -1.912 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.777 -24.498 -3.141 1.00 0.00 N ATOM 0 H HIS A 66 4.579 -21.812 -2.876 1.00 0.00 H new ATOM 0 HA HIS A 66 3.851 -24.191 -1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.415 -22.346 -1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.393 -21.989 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.317 -23.149 -4.480 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.155 -25.594 -1.342 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.583 -24.758 -3.709 1.00 0.00 H new ATOM 1028 N ALA A 67 3.596 -24.256 -4.899 1.00 0.00 N ATOM 1029 CA ALA A 67 3.407 -25.136 -6.046 1.00 0.00 C ATOM 1030 C ALA A 67 4.243 -26.404 -5.908 1.00 0.00 C ATOM 1031 O ALA A 67 3.770 -27.504 -6.195 1.00 0.00 O ATOM 1032 CB ALA A 67 3.758 -24.407 -7.334 1.00 0.00 C ATOM 0 H ALA A 67 3.884 -23.307 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 67 2.357 -25.427 -6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.612 -25.076 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.114 -23.534 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.799 -24.087 -7.299 1.00 0.00 H new ATOM 1038 N ASP A 68 5.486 -26.243 -5.469 1.00 0.00 N ATOM 1039 CA ASP A 68 6.388 -27.375 -5.293 1.00 0.00 C ATOM 1040 C ASP A 68 5.742 -28.455 -4.430 1.00 0.00 C ATOM 1041 O ASP A 68 5.606 -29.602 -4.853 1.00 0.00 O ATOM 1042 CB ASP A 68 7.701 -26.915 -4.659 1.00 0.00 C ATOM 1043 CG ASP A 68 8.871 -27.800 -5.043 1.00 0.00 C ATOM 1044 OD1 ASP A 68 9.161 -27.909 -6.253 1.00 0.00 O ATOM 1045 OD2 ASP A 68 9.497 -28.383 -4.133 1.00 0.00 O ATOM 0 H ASP A 68 5.892 -25.339 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 68 6.597 -27.797 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.909 -25.890 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.595 -26.909 -3.574 1.00 0.00 H new ATOM 1050 N ASN A 69 5.348 -28.079 -3.218 1.00 0.00 N ATOM 1051 CA ASN A 69 4.719 -29.016 -2.294 1.00 0.00 C ATOM 1052 C ASN A 69 3.292 -29.335 -2.731 1.00 0.00 C ATOM 1053 O ASN A 69 2.689 -30.301 -2.263 1.00 0.00 O ATOM 1054 CB ASN A 69 4.713 -28.440 -0.876 1.00 0.00 C ATOM 1055 CG ASN A 69 6.044 -27.821 -0.498 1.00 0.00 C ATOM 1056 OD1 ASN A 69 7.048 -28.520 -0.356 1.00 0.00 O ATOM 1057 ND2 ASN A 69 6.059 -26.504 -0.332 1.00 0.00 N ATOM 0 H ASN A 69 5.453 -27.132 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 69 5.298 -29.939 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.929 -27.687 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.469 -29.231 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.926 -26.032 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.203 -25.964 -0.460 1.00 0.00 H new ATOM 1064 N CYS A 70 2.758 -28.517 -3.632 1.00 0.00 N ATOM 1065 CA CYS A 70 1.403 -28.712 -4.134 1.00 0.00 C ATOM 1066 C CYS A 70 1.372 -29.789 -5.214 1.00 0.00 C ATOM 1067 O CYS A 70 2.332 -29.955 -5.967 1.00 0.00 O ATOM 1068 CB CYS A 70 0.850 -27.399 -4.691 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.880 -27.499 -5.251 1.00 0.00 S ATOM 0 H CYS A 70 3.243 -27.713 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 70 0.778 -29.039 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.928 -26.629 -3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.473 -27.080 -5.526 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.492 -26.386 -4.972 1.00 0.00 H new ATOM 1074 N ALA A 71 0.263 -30.518 -5.284 1.00 0.00 N ATOM 1075 CA ALA A 71 0.106 -31.577 -6.272 1.00 0.00 C ATOM 1076 C ALA A 71 -1.087 -31.306 -7.183 1.00 0.00 C ATOM 1077 O ALA A 71 -1.029 -31.550 -8.387 1.00 0.00 O ATOM 1078 CB ALA A 71 -0.050 -32.924 -5.582 1.00 0.00 C ATOM 0 H ALA A 71 -0.540 -30.394 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 71 1.004 -31.599 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.166 -33.706 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.835 -33.129 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.930 -32.904 -4.939 1.00 0.00 H new ATOM 1084 N GLY A 72 -2.169 -30.800 -6.598 1.00 0.00 N ATOM 1085 CA GLY A 72 -3.361 -30.505 -7.371 1.00 0.00 C ATOM 1086 C GLY A 72 -4.600 -30.394 -6.506 1.00 0.00 C ATOM 1087 O GLY A 72 -4.522 -30.305 -5.281 1.00 0.00 O ATOM 0 H GLY A 72 -2.241 -30.589 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.216 -29.571 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.510 -31.287 -8.115 1.00 0.00 H new ATOM 1091 N PRO A 73 -5.777 -30.395 -7.150 1.00 0.00 N ATOM 1092 CA PRO A 73 -7.062 -30.293 -6.450 1.00 0.00 C ATOM 1093 C PRO A 73 -7.387 -31.549 -5.649 1.00 0.00 C ATOM 1094 O PRO A 73 -7.922 -32.519 -6.186 1.00 0.00 O ATOM 1095 CB PRO A 73 -8.071 -30.108 -7.586 1.00 0.00 C ATOM 1096 CG PRO A 73 -7.422 -30.730 -8.774 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.945 -30.498 -8.609 1.00 0.00 C ATOM 0 HA PRO A 73 -7.066 -29.482 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.020 -30.591 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.284 -29.053 -7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.646 -31.795 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.787 -30.281 -9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.360 -31.319 -9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.622 -29.589 -9.116 1.00 0.00 H new