USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 499 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -2:sc= -0.303 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -113:sc= -1.7! (180deg=-5.14!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -83:sc= 2.18 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.188) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -2.8! (180deg=-4.49!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 65 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.044) USER MOD Single : A 66 ASN : amide:sc= 0.733 K(o=0.73,f=-0.02) USER MOD Single : A 68 GLN : amide:sc= -0.775 K(o=-0.77,f=-3!) USER MOD Single : A 70 GLN : amide:sc= -0.912 K(o=-0.91,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.763 -16.749 -7.693 1.00 0.00 N ATOM 192 CA VAL A 10 8.267 -15.497 -7.134 1.00 0.00 C ATOM 193 C VAL A 10 7.966 -14.485 -8.234 1.00 0.00 C ATOM 194 O VAL A 10 8.755 -14.306 -9.162 1.00 0.00 O ATOM 195 CB VAL A 10 9.279 -14.882 -6.149 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.761 -13.558 -5.607 1.00 0.00 C ATOM 197 CG2 VAL A 10 9.575 -15.852 -5.015 1.00 0.00 C ATOM 0 HA VAL A 10 7.347 -15.732 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 10 10.209 -14.689 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.490 -13.139 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.605 -12.863 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.817 -13.722 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.292 -15.401 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.653 -16.078 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.993 -16.772 -5.423 1.00 0.00 H new ATOM 207 N LYS A 11 6.819 -13.823 -8.123 1.00 0.00 N ATOM 208 CA LYS A 11 6.412 -12.827 -9.107 1.00 0.00 C ATOM 209 C LYS A 11 6.113 -11.490 -8.436 1.00 0.00 C ATOM 210 O LYS A 11 5.321 -11.420 -7.495 1.00 0.00 O ATOM 211 CB LYS A 11 5.180 -13.311 -9.875 1.00 0.00 C ATOM 212 CG LYS A 11 4.902 -12.518 -11.140 1.00 0.00 C ATOM 213 CD LYS A 11 3.674 -13.041 -11.866 1.00 0.00 C ATOM 214 CE LYS A 11 4.001 -14.269 -12.702 1.00 0.00 C ATOM 215 NZ LYS A 11 2.775 -14.904 -13.258 1.00 0.00 N ATOM 0 H LYS A 11 6.155 -13.959 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 11 7.236 -12.687 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.314 -14.361 -10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.309 -13.254 -9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.757 -11.468 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.767 -12.571 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.899 -13.289 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.270 -12.259 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.665 -13.986 -13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.539 -14.993 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.040 -15.737 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.152 -15.197 -12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.275 -14.222 -13.863 1.00 0.00 H new ATOM 229 N VAL A 12 6.750 -10.431 -8.925 1.00 0.00 N ATOM 230 CA VAL A 12 6.550 -9.096 -8.374 1.00 0.00 C ATOM 231 C VAL A 12 5.949 -8.157 -9.414 1.00 0.00 C ATOM 232 O VAL A 12 6.268 -8.241 -10.600 1.00 0.00 O ATOM 233 CB VAL A 12 7.872 -8.497 -7.860 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.666 -7.061 -7.401 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.440 -9.348 -6.734 1.00 0.00 C ATOM 0 H VAL A 12 7.409 -10.472 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 12 5.858 -9.199 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 12 8.591 -8.492 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.611 -6.655 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.307 -6.460 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.932 -7.038 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.374 -8.910 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.726 -9.387 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.628 -10.357 -7.100 1.00 0.00 H new ATOM 245 N VAL A 13 5.079 -7.260 -8.961 1.00 0.00 N ATOM 246 CA VAL A 13 4.434 -6.303 -9.852 1.00 0.00 C ATOM 247 C VAL A 13 4.716 -4.870 -9.415 1.00 0.00 C ATOM 248 O VAL A 13 4.577 -4.529 -8.240 1.00 0.00 O ATOM 249 CB VAL A 13 2.910 -6.522 -9.903 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.252 -5.487 -10.802 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.591 -7.932 -10.377 1.00 0.00 C ATOM 0 H VAL A 13 4.805 -7.176 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 13 4.850 -6.466 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 13 2.509 -6.402 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.176 -5.657 -10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.453 -4.488 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.655 -5.572 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.510 -8.070 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.004 -8.083 -11.374 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.030 -8.655 -9.689 1.00 0.00 H new ATOM 261 N TYR A 14 5.112 -4.034 -10.368 1.00 0.00 N ATOM 262 CA TYR A 14 5.415 -2.637 -10.081 1.00 0.00 C ATOM 263 C TYR A 14 4.490 -1.707 -10.860 1.00 0.00 C ATOM 264 O TYR A 14 4.341 -1.836 -12.076 1.00 0.00 O ATOM 265 CB TYR A 14 6.874 -2.329 -10.425 1.00 0.00 C ATOM 266 CG TYR A 14 7.857 -3.311 -9.830 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.040 -3.394 -8.455 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.602 -4.157 -10.643 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.938 -4.290 -7.907 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.501 -5.056 -10.103 1.00 0.00 C ATOM 271 CZ TYR A 14 9.666 -5.119 -8.735 1.00 0.00 C ATOM 272 OH TYR A 14 10.560 -6.013 -8.193 1.00 0.00 O ATOM 0 H TYR A 14 5.231 -4.299 -11.346 1.00 0.00 H new ATOM 0 HA TYR A 14 5.256 -2.469 -9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.990 -2.324 -11.509 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.117 -1.326 -10.074 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.471 -2.747 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.476 -4.111 -11.715 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.069 -4.341 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.072 -5.707 -10.749 1.00 0.00 H new ATOM 0 HH TYR A 14 10.578 -5.908 -7.219 1.00 0.00 H new ATOM 282 N LEU A 15 3.870 -0.770 -10.151 1.00 0.00 N ATOM 283 CA LEU A 15 2.958 0.183 -10.775 1.00 0.00 C ATOM 284 C LEU A 15 2.989 1.522 -10.045 1.00 0.00 C ATOM 285 O LEU A 15 3.377 1.596 -8.879 1.00 0.00 O ATOM 286 CB LEU A 15 1.534 -0.374 -10.783 1.00 0.00 C ATOM 287 CG LEU A 15 1.362 -1.769 -11.386 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.069 -2.405 -10.900 1.00 0.00 C ATOM 289 CD2 LEU A 15 1.386 -1.699 -12.906 1.00 0.00 C ATOM 0 H LEU A 15 3.982 -0.650 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 15 3.284 0.342 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.168 -0.396 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.897 0.319 -11.333 1.00 0.00 H new ATOM 0 HG LEU A 15 2.194 -2.391 -11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.036 -3.397 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.091 -2.490 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.776 -1.785 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.262 -2.700 -13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.574 -1.061 -13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.339 -1.286 -13.236 1.00 0.00 H new ATOM 301 N ARG A 16 2.575 2.577 -10.739 1.00 0.00 N ATOM 302 CA ARG A 16 2.553 3.914 -10.157 1.00 0.00 C ATOM 303 C ARG A 16 1.234 4.171 -9.434 1.00 0.00 C ATOM 304 O ARG A 16 0.161 3.851 -9.947 1.00 0.00 O ATOM 305 CB ARG A 16 2.766 4.970 -11.243 1.00 0.00 C ATOM 306 CG ARG A 16 1.532 5.228 -12.091 1.00 0.00 C ATOM 307 CD ARG A 16 0.669 6.332 -11.499 1.00 0.00 C ATOM 308 NE ARG A 16 -0.180 6.963 -12.506 1.00 0.00 N ATOM 309 CZ ARG A 16 -1.249 7.694 -12.212 1.00 0.00 C ATOM 310 NH1 ARG A 16 -1.599 7.884 -10.947 1.00 0.00 N ATOM 311 NH2 ARG A 16 -1.972 8.236 -13.184 1.00 0.00 N ATOM 0 H ARG A 16 2.250 2.532 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 16 3.364 3.980 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.076 5.904 -10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.582 4.653 -11.892 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.835 5.504 -13.101 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.947 4.312 -12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.045 5.919 -10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.309 7.086 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 16 0.061 6.835 -13.489 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.047 7.468 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.421 8.446 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.707 8.091 -14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.793 8.797 -12.957 1.00 0.00 H new ATOM 325 N CYS A 17 1.322 4.749 -8.241 1.00 0.00 N ATOM 326 CA CYS A 17 0.136 5.048 -7.447 1.00 0.00 C ATOM 327 C CYS A 17 0.437 6.116 -6.401 1.00 0.00 C ATOM 328 O CYS A 17 1.597 6.437 -6.141 1.00 0.00 O ATOM 329 CB CYS A 17 -0.379 3.780 -6.765 1.00 0.00 C ATOM 330 SG CYS A 17 0.789 3.042 -5.599 1.00 0.00 S ATOM 0 H CYS A 17 2.202 5.020 -7.803 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.634 5.429 -8.118 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.304 4.014 -6.237 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.626 3.044 -7.530 1.00 0.00 H new ATOM 0 HG CYS A 17 0.262 1.977 -5.072 1.00 0.00 H new ATOM 336 N THR A 18 -0.616 6.666 -5.803 1.00 0.00 N ATOM 337 CA THR A 18 -0.465 7.700 -4.787 1.00 0.00 C ATOM 338 C THR A 18 -0.700 7.137 -3.390 1.00 0.00 C ATOM 339 O THR A 18 -1.591 6.314 -3.184 1.00 0.00 O ATOM 340 CB THR A 18 -1.437 8.870 -5.028 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.373 9.288 -6.396 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.108 10.043 -4.118 1.00 0.00 C ATOM 0 H THR A 18 -1.583 6.412 -6.005 1.00 0.00 H new ATOM 0 HA THR A 18 0.559 8.067 -4.859 1.00 0.00 H new ATOM 0 HB THR A 18 -2.446 8.527 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.995 10.031 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.808 10.857 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.188 9.730 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.092 10.384 -4.317 1.00 0.00 H new ATOM 350 N GLY A 19 0.105 7.587 -2.432 1.00 0.00 N ATOM 351 CA GLY A 19 -0.033 7.117 -1.066 1.00 0.00 C ATOM 352 C GLY A 19 -1.259 7.685 -0.379 1.00 0.00 C ATOM 353 O GLY A 19 -1.607 8.849 -0.576 1.00 0.00 O ATOM 0 H GLY A 19 0.850 8.268 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.090 6.029 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.857 7.391 -0.499 1.00 0.00 H new ATOM 357 N GLY A 20 -1.918 6.860 0.430 1.00 0.00 N ATOM 358 CA GLY A 20 -3.106 7.305 1.135 1.00 0.00 C ATOM 359 C GLY A 20 -4.039 8.107 0.250 1.00 0.00 C ATOM 360 O GLY A 20 -4.541 9.154 0.655 1.00 0.00 O ATOM 0 H GLY A 20 -1.650 5.892 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.638 6.438 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.811 7.912 1.991 1.00 0.00 H new ATOM 364 N GLU A 21 -4.271 7.615 -0.963 1.00 0.00 N ATOM 365 CA GLU A 21 -5.148 8.296 -1.908 1.00 0.00 C ATOM 366 C GLU A 21 -6.480 7.562 -2.040 1.00 0.00 C ATOM 367 O GLU A 21 -6.518 6.376 -2.369 1.00 0.00 O ATOM 368 CB GLU A 21 -4.475 8.402 -3.278 1.00 0.00 C ATOM 369 CG GLU A 21 -5.328 9.100 -4.324 1.00 0.00 C ATOM 370 CD GLU A 21 -5.302 10.610 -4.185 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.085 11.098 -3.056 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.498 11.303 -5.205 1.00 0.00 O ATOM 0 H GLU A 21 -3.864 6.748 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.341 9.299 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.534 8.941 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.230 7.400 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.975 8.824 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.357 8.749 -4.242 1.00 0.00 H new ATOM 437 N ALA A 27 -9.919 -1.574 -10.778 1.00 0.00 N ATOM 438 CA ALA A 27 -8.780 -1.987 -11.588 1.00 0.00 C ATOM 439 C ALA A 27 -8.179 -3.288 -11.068 1.00 0.00 C ATOM 440 O ALA A 27 -7.667 -4.100 -11.840 1.00 0.00 O ATOM 441 CB ALA A 27 -7.726 -0.890 -11.616 1.00 0.00 C ATOM 0 HA ALA A 27 -9.133 -2.162 -12.604 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.881 -1.213 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.156 0.016 -12.043 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.385 -0.687 -10.601 1.00 0.00 H new ATOM 447 N LEU A 28 -8.242 -3.480 -9.755 1.00 0.00 N ATOM 448 CA LEU A 28 -7.703 -4.683 -9.130 1.00 0.00 C ATOM 449 C LEU A 28 -8.756 -5.786 -9.074 1.00 0.00 C ATOM 450 O LEU A 28 -8.426 -6.971 -9.047 1.00 0.00 O ATOM 451 CB LEU A 28 -7.202 -4.369 -7.720 1.00 0.00 C ATOM 452 CG LEU A 28 -6.110 -3.303 -7.617 1.00 0.00 C ATOM 453 CD1 LEU A 28 -6.017 -2.768 -6.197 1.00 0.00 C ATOM 454 CD2 LEU A 28 -4.770 -3.868 -8.065 1.00 0.00 C ATOM 0 H LEU A 28 -8.661 -2.818 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.867 -5.034 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.052 -4.049 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.825 -5.291 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.373 -2.477 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.235 -2.011 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.971 -2.325 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.778 -3.585 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.005 -3.096 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.501 -4.713 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.843 -4.201 -9.100 1.00 0.00 H new ATOM 466 N ALA A 29 -10.023 -5.387 -9.059 1.00 0.00 N ATOM 467 CA ALA A 29 -11.124 -6.341 -9.011 1.00 0.00 C ATOM 468 C ALA A 29 -10.929 -7.456 -10.032 1.00 0.00 C ATOM 469 O ALA A 29 -10.892 -8.640 -9.695 1.00 0.00 O ATOM 470 CB ALA A 29 -12.449 -5.631 -9.248 1.00 0.00 C ATOM 0 H ALA A 29 -10.313 -4.409 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.139 -6.791 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.262 -6.356 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.600 -4.875 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.435 -5.153 -10.227 1.00 0.00 H new ATOM 476 N PRO A 30 -10.802 -7.073 -11.311 1.00 0.00 N ATOM 477 CA PRO A 30 -10.609 -8.026 -12.408 1.00 0.00 C ATOM 478 C PRO A 30 -9.235 -8.686 -12.367 1.00 0.00 C ATOM 479 O PRO A 30 -9.028 -9.750 -12.952 1.00 0.00 O ATOM 480 CB PRO A 30 -10.748 -7.158 -13.661 1.00 0.00 C ATOM 481 CG PRO A 30 -10.380 -5.786 -13.214 1.00 0.00 C ATOM 482 CD PRO A 30 -10.836 -5.679 -11.785 1.00 0.00 C ATOM 0 HA PRO A 30 -11.322 -8.850 -12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.090 -7.505 -14.458 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.765 -7.187 -14.052 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.305 -5.625 -13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.862 -5.031 -13.835 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.176 -5.039 -11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.837 -5.254 -11.713 1.00 0.00 H new ATOM 490 N LYS A 31 -8.298 -8.050 -11.672 1.00 0.00 N ATOM 491 CA LYS A 31 -6.944 -8.576 -11.552 1.00 0.00 C ATOM 492 C LYS A 31 -6.891 -9.720 -10.545 1.00 0.00 C ATOM 493 O LYS A 31 -6.234 -10.735 -10.778 1.00 0.00 O ATOM 494 CB LYS A 31 -5.979 -7.465 -11.130 1.00 0.00 C ATOM 495 CG LYS A 31 -6.056 -6.227 -12.005 1.00 0.00 C ATOM 496 CD LYS A 31 -5.068 -6.297 -13.158 1.00 0.00 C ATOM 497 CE LYS A 31 -5.692 -6.938 -14.388 1.00 0.00 C ATOM 498 NZ LYS A 31 -5.476 -8.411 -14.416 1.00 0.00 N ATOM 0 H LYS A 31 -8.452 -7.168 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.643 -8.960 -12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.191 -7.184 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.960 -7.852 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.067 -6.120 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.852 -5.342 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.723 -5.293 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.191 -6.869 -12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.761 -6.727 -14.404 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.266 -6.491 -15.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.847 -8.655 -15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.041 -8.715 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.389 -8.894 -14.538 1.00 0.00 H new ATOM 512 N ILE A 32 -7.588 -9.550 -9.427 1.00 0.00 N ATOM 513 CA ILE A 32 -7.622 -10.570 -8.386 1.00 0.00 C ATOM 514 C ILE A 32 -8.770 -11.548 -8.612 1.00 0.00 C ATOM 515 O ILE A 32 -8.798 -12.633 -8.033 1.00 0.00 O ATOM 516 CB ILE A 32 -7.766 -9.943 -6.987 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.893 -8.691 -6.873 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.394 -10.953 -5.912 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.210 -7.841 -5.663 1.00 0.00 C ATOM 0 H ILE A 32 -8.137 -8.716 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.674 -11.106 -8.439 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.807 -9.653 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.846 -8.991 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.017 -8.088 -7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.501 -10.494 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.053 -11.818 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.361 -11.271 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.553 -6.971 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.248 -7.511 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.058 -8.427 -4.757 1.00 0.00 H new ATOM 531 N GLY A 33 -9.715 -11.157 -9.461 1.00 0.00 N ATOM 532 CA GLY A 33 -10.852 -12.011 -9.751 1.00 0.00 C ATOM 533 C GLY A 33 -10.463 -13.471 -9.877 1.00 0.00 C ATOM 534 O GLY A 33 -10.945 -14.330 -9.139 1.00 0.00 O ATOM 0 H GLY A 33 -9.714 -10.264 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.595 -11.903 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.323 -11.682 -10.678 1.00 0.00 H new ATOM 538 N PRO A 34 -9.572 -13.769 -10.834 1.00 0.00 N ATOM 539 CA PRO A 34 -9.100 -15.135 -11.079 1.00 0.00 C ATOM 540 C PRO A 34 -8.210 -15.651 -9.953 1.00 0.00 C ATOM 541 O PRO A 34 -8.153 -16.854 -9.694 1.00 0.00 O ATOM 542 CB PRO A 34 -8.299 -15.007 -12.377 1.00 0.00 C ATOM 543 CG PRO A 34 -7.860 -13.584 -12.412 1.00 0.00 C ATOM 544 CD PRO A 34 -8.956 -12.795 -11.752 1.00 0.00 C ATOM 0 HA PRO A 34 -9.924 -15.846 -11.139 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.446 -15.685 -12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.910 -15.254 -13.245 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.915 -13.454 -11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.702 -13.250 -13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.563 -11.931 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.675 -12.419 -12.480 1.00 0.00 H new ATOM 552 N LEU A 35 -7.518 -14.734 -9.285 1.00 0.00 N ATOM 553 CA LEU A 35 -6.631 -15.096 -8.185 1.00 0.00 C ATOM 554 C LEU A 35 -7.407 -15.769 -7.058 1.00 0.00 C ATOM 555 O LEU A 35 -7.159 -16.926 -6.723 1.00 0.00 O ATOM 556 CB LEU A 35 -5.911 -13.856 -7.655 1.00 0.00 C ATOM 557 CG LEU A 35 -4.575 -13.520 -8.319 1.00 0.00 C ATOM 558 CD1 LEU A 35 -4.776 -13.201 -9.792 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.903 -12.354 -7.606 1.00 0.00 C ATOM 0 H LEU A 35 -7.554 -13.735 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.893 -15.802 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.575 -12.999 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.740 -13.989 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.924 -14.391 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.814 -12.964 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.213 -14.064 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.445 -12.346 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.954 -12.129 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.550 -11.478 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.723 -12.619 -6.564 1.00 0.00 H new ATOM 571 N GLY A 36 -8.351 -15.034 -6.476 1.00 0.00 N ATOM 572 CA GLY A 36 -9.151 -15.577 -5.394 1.00 0.00 C ATOM 573 C GLY A 36 -9.470 -14.541 -4.334 1.00 0.00 C ATOM 574 O GLY A 36 -10.638 -14.292 -4.030 1.00 0.00 O ATOM 0 H GLY A 36 -8.575 -14.073 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.081 -15.977 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.619 -16.410 -4.935 1.00 0.00 H new ATOM 578 N LEU A 37 -8.432 -13.938 -3.767 1.00 0.00 N ATOM 579 CA LEU A 37 -8.606 -12.924 -2.732 1.00 0.00 C ATOM 580 C LEU A 37 -9.537 -11.814 -3.209 1.00 0.00 C ATOM 581 O LEU A 37 -9.943 -11.787 -4.371 1.00 0.00 O ATOM 582 CB LEU A 37 -7.252 -12.335 -2.334 1.00 0.00 C ATOM 583 CG LEU A 37 -6.375 -13.211 -1.439 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.951 -14.471 -2.176 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.157 -12.434 -0.961 1.00 0.00 C ATOM 0 H LEU A 37 -7.460 -14.133 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.056 -13.402 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.696 -12.108 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.426 -11.388 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.959 -13.505 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.328 -15.082 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.836 -15.037 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.385 -14.198 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.544 -13.073 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.572 -12.110 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.482 -11.562 -0.393 1.00 0.00 H new ATOM 597 N SER A 38 -9.869 -10.898 -2.305 1.00 0.00 N ATOM 598 CA SER A 38 -10.753 -9.786 -2.633 1.00 0.00 C ATOM 599 C SER A 38 -9.960 -8.494 -2.807 1.00 0.00 C ATOM 600 O SER A 38 -8.973 -8.244 -2.114 1.00 0.00 O ATOM 601 CB SER A 38 -11.809 -9.606 -1.541 1.00 0.00 C ATOM 602 OG SER A 38 -12.834 -10.578 -1.658 1.00 0.00 O ATOM 0 H SER A 38 -9.539 -10.904 -1.340 1.00 0.00 H new ATOM 0 HA SER A 38 -11.251 -10.016 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.340 -9.684 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.241 -8.607 -1.609 1.00 0.00 H new ATOM 0 HG SER A 38 -13.496 -10.443 -0.948 1.00 0.00 H new ATOM 608 N PRO A 39 -10.400 -7.653 -3.754 1.00 0.00 N ATOM 609 CA PRO A 39 -9.747 -6.372 -4.041 1.00 0.00 C ATOM 610 C PRO A 39 -9.935 -5.360 -2.916 1.00 0.00 C ATOM 611 O PRO A 39 -9.090 -4.491 -2.701 1.00 0.00 O ATOM 612 CB PRO A 39 -10.449 -5.894 -5.314 1.00 0.00 C ATOM 613 CG PRO A 39 -11.784 -6.555 -5.282 1.00 0.00 C ATOM 614 CD PRO A 39 -11.570 -7.887 -4.617 1.00 0.00 C ATOM 0 HA PRO A 39 -8.668 -6.480 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.545 -4.808 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.889 -6.177 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.504 -5.953 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.182 -6.681 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.442 -8.192 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.380 -8.675 -5.346 1.00 0.00 H new ATOM 622 N LYS A 40 -11.048 -5.478 -2.201 1.00 0.00 N ATOM 623 CA LYS A 40 -11.348 -4.575 -1.096 1.00 0.00 C ATOM 624 C LYS A 40 -10.358 -4.769 0.049 1.00 0.00 C ATOM 625 O LYS A 40 -9.768 -3.808 0.543 1.00 0.00 O ATOM 626 CB LYS A 40 -12.775 -4.805 -0.594 1.00 0.00 C ATOM 627 CG LYS A 40 -13.299 -3.684 0.286 1.00 0.00 C ATOM 628 CD LYS A 40 -13.604 -2.435 -0.524 1.00 0.00 C ATOM 629 CE LYS A 40 -14.914 -2.572 -1.286 1.00 0.00 C ATOM 630 NZ LYS A 40 -14.911 -1.771 -2.542 1.00 0.00 N ATOM 0 H LYS A 40 -11.758 -6.191 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.259 -3.552 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.438 -4.923 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.808 -5.740 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.202 -4.015 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.563 -3.449 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.657 -1.573 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.791 -2.247 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.087 -3.621 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.739 -2.249 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.820 -1.891 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.771 -0.766 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.140 -2.096 -3.159 1.00 0.00 H new ATOM 644 N LYS A 41 -10.180 -6.018 0.466 1.00 0.00 N ATOM 645 CA LYS A 41 -9.260 -6.339 1.550 1.00 0.00 C ATOM 646 C LYS A 41 -7.834 -5.929 1.193 1.00 0.00 C ATOM 647 O LYS A 41 -7.138 -5.305 1.995 1.00 0.00 O ATOM 648 CB LYS A 41 -9.308 -7.837 1.861 1.00 0.00 C ATOM 649 CG LYS A 41 -8.909 -8.175 3.287 1.00 0.00 C ATOM 650 CD LYS A 41 -9.518 -9.491 3.740 1.00 0.00 C ATOM 651 CE LYS A 41 -8.931 -9.951 5.065 1.00 0.00 C ATOM 652 NZ LYS A 41 -9.601 -11.180 5.572 1.00 0.00 N ATOM 0 H LYS A 41 -10.661 -6.825 0.069 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.570 -5.780 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.317 -8.205 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.647 -8.364 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.823 -8.232 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.230 -7.376 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.598 -9.378 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.345 -10.253 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.865 -10.143 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.029 -9.154 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.172 -11.461 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.614 -10.990 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.486 -11.948 4.881 1.00 0.00 H new ATOM 666 N VAL A 42 -7.406 -6.283 -0.014 1.00 0.00 N ATOM 667 CA VAL A 42 -6.065 -5.950 -0.478 1.00 0.00 C ATOM 668 C VAL A 42 -5.918 -4.449 -0.701 1.00 0.00 C ATOM 669 O VAL A 42 -4.890 -3.859 -0.370 1.00 0.00 O ATOM 670 CB VAL A 42 -5.723 -6.688 -1.786 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.337 -6.296 -2.274 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.822 -8.193 -1.588 1.00 0.00 C ATOM 0 H VAL A 42 -7.969 -6.801 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.373 -6.269 0.301 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.445 -6.396 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.113 -6.827 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.306 -5.222 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.597 -6.557 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.577 -8.700 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.123 -8.505 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.837 -8.455 -1.288 1.00 0.00 H new ATOM 682 N GLY A 43 -6.954 -3.835 -1.266 1.00 0.00 N ATOM 683 CA GLY A 43 -6.920 -2.408 -1.524 1.00 0.00 C ATOM 684 C GLY A 43 -6.899 -1.588 -0.248 1.00 0.00 C ATOM 685 O GLY A 43 -6.178 -0.595 -0.153 1.00 0.00 O ATOM 0 H GLY A 43 -7.816 -4.301 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.038 -2.170 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.790 -2.128 -2.118 1.00 0.00 H new ATOM 689 N ASP A 44 -7.692 -2.004 0.733 1.00 0.00 N ATOM 690 CA ASP A 44 -7.762 -1.301 2.009 1.00 0.00 C ATOM 691 C ASP A 44 -6.404 -1.301 2.704 1.00 0.00 C ATOM 692 O ASP A 44 -5.984 -0.289 3.267 1.00 0.00 O ATOM 693 CB ASP A 44 -8.812 -1.947 2.914 1.00 0.00 C ATOM 694 CG ASP A 44 -10.202 -1.392 2.675 1.00 0.00 C ATOM 695 OD1 ASP A 44 -10.398 -0.175 2.874 1.00 0.00 O ATOM 696 OD2 ASP A 44 -11.094 -2.175 2.287 1.00 0.00 O ATOM 0 H ASP A 44 -8.295 -2.824 0.669 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.049 -0.268 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.820 -3.024 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.535 -1.790 3.956 1.00 0.00 H new ATOM 701 N ASP A 45 -5.722 -2.440 2.661 1.00 0.00 N ATOM 702 CA ASP A 45 -4.412 -2.572 3.287 1.00 0.00 C ATOM 703 C ASP A 45 -3.429 -1.558 2.709 1.00 0.00 C ATOM 704 O ASP A 45 -2.631 -0.967 3.437 1.00 0.00 O ATOM 705 CB ASP A 45 -3.872 -3.990 3.096 1.00 0.00 C ATOM 706 CG ASP A 45 -2.962 -4.420 4.230 1.00 0.00 C ATOM 707 OD1 ASP A 45 -1.786 -4.003 4.238 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.427 -5.176 5.110 1.00 0.00 O ATOM 0 H ASP A 45 -6.055 -3.286 2.199 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.525 -2.375 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.707 -4.687 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.325 -4.044 2.155 1.00 0.00 H new ATOM 713 N ILE A 46 -3.493 -1.362 1.396 1.00 0.00 N ATOM 714 CA ILE A 46 -2.609 -0.420 0.721 1.00 0.00 C ATOM 715 C ILE A 46 -2.868 1.008 1.189 1.00 0.00 C ATOM 716 O ILE A 46 -1.936 1.742 1.519 1.00 0.00 O ATOM 717 CB ILE A 46 -2.779 -0.486 -0.808 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.434 -1.885 -1.322 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.908 0.563 -1.484 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.979 -2.173 -2.703 1.00 0.00 C ATOM 0 H ILE A 46 -4.148 -1.843 0.779 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.589 -0.705 0.978 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.821 -0.277 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.350 -2.001 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.824 -2.626 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.039 0.504 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.198 1.555 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.862 0.383 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.696 -3.182 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.066 -2.090 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.569 -1.455 -3.413 1.00 0.00 H new ATOM 732 N ALA A 47 -4.139 1.395 1.216 1.00 0.00 N ATOM 733 CA ALA A 47 -4.520 2.734 1.648 1.00 0.00 C ATOM 734 C ALA A 47 -4.003 3.026 3.053 1.00 0.00 C ATOM 735 O ALA A 47 -3.416 4.079 3.303 1.00 0.00 O ATOM 736 CB ALA A 47 -6.032 2.895 1.595 1.00 0.00 C ATOM 0 H ALA A 47 -4.922 0.801 0.944 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.065 3.452 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.303 3.900 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.379 2.738 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.499 2.162 2.253 1.00 0.00 H new ATOM 742 N LYS A 48 -4.226 2.088 3.967 1.00 0.00 N ATOM 743 CA LYS A 48 -3.783 2.244 5.347 1.00 0.00 C ATOM 744 C LYS A 48 -2.262 2.186 5.440 1.00 0.00 C ATOM 745 O LYS A 48 -1.646 2.950 6.183 1.00 0.00 O ATOM 746 CB LYS A 48 -4.400 1.155 6.228 1.00 0.00 C ATOM 747 CG LYS A 48 -5.790 1.500 6.736 1.00 0.00 C ATOM 748 CD LYS A 48 -6.248 0.526 7.810 1.00 0.00 C ATOM 749 CE LYS A 48 -6.641 -0.817 7.213 1.00 0.00 C ATOM 750 NZ LYS A 48 -6.758 -1.874 8.256 1.00 0.00 N ATOM 0 H LYS A 48 -4.711 1.211 3.777 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.114 3.220 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.450 0.225 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.745 0.974 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.791 2.513 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.496 1.486 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.449 0.382 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.097 0.949 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.591 -0.717 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.899 -1.117 6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.027 -2.774 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.844 -1.987 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.484 -1.600 8.948 1.00 0.00 H new ATOM 764 N ALA A 49 -1.661 1.275 4.680 1.00 0.00 N ATOM 765 CA ALA A 49 -0.212 1.121 4.675 1.00 0.00 C ATOM 766 C ALA A 49 0.475 2.405 4.225 1.00 0.00 C ATOM 767 O ALA A 49 1.478 2.822 4.806 1.00 0.00 O ATOM 768 CB ALA A 49 0.191 -0.039 3.776 1.00 0.00 C ATOM 0 H ALA A 49 -2.156 0.633 4.060 1.00 0.00 H new ATOM 0 HA ALA A 49 0.110 0.906 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.276 -0.143 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.264 -0.959 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.150 0.153 2.759 1.00 0.00 H new ATOM 774 N THR A 50 -0.070 3.031 3.186 1.00 0.00 N ATOM 775 CA THR A 50 0.492 4.267 2.657 1.00 0.00 C ATOM 776 C THR A 50 -0.113 5.485 3.346 1.00 0.00 C ATOM 777 O THR A 50 -0.125 6.582 2.790 1.00 0.00 O ATOM 778 CB THR A 50 0.263 4.383 1.138 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.121 4.177 0.834 1.00 0.00 O ATOM 780 CG2 THR A 50 1.110 3.370 0.384 1.00 0.00 C ATOM 0 H THR A 50 -0.901 2.701 2.694 1.00 0.00 H new ATOM 0 HA THR A 50 1.564 4.237 2.854 1.00 0.00 H new ATOM 0 HB THR A 50 0.558 5.384 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.304 3.216 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.931 3.471 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.164 3.549 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.842 2.363 0.703 1.00 0.00 H new ATOM 788 N GLY A 51 -0.616 5.284 4.560 1.00 0.00 N ATOM 789 CA GLY A 51 -1.216 6.375 5.305 1.00 0.00 C ATOM 790 C GLY A 51 -0.236 7.499 5.578 1.00 0.00 C ATOM 791 O GLY A 51 -0.604 8.673 5.551 1.00 0.00 O ATOM 0 H GLY A 51 -0.619 4.385 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.067 6.767 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.602 5.996 6.251 1.00 0.00 H new ATOM 795 N ASP A 52 1.016 7.139 5.842 1.00 0.00 N ATOM 796 CA ASP A 52 2.052 8.126 6.121 1.00 0.00 C ATOM 797 C ASP A 52 2.415 8.905 4.861 1.00 0.00 C ATOM 798 O ASP A 52 2.964 10.004 4.935 1.00 0.00 O ATOM 799 CB ASP A 52 3.297 7.443 6.689 1.00 0.00 C ATOM 800 CG ASP A 52 3.077 6.914 8.093 1.00 0.00 C ATOM 801 OD1 ASP A 52 2.532 7.662 8.930 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.452 5.751 8.355 1.00 0.00 O ATOM 0 H ASP A 52 1.337 6.171 5.868 1.00 0.00 H new ATOM 0 HA ASP A 52 1.662 8.826 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.587 6.620 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.125 8.152 6.696 1.00 0.00 H new ATOM 807 N TRP A 53 2.105 8.328 3.705 1.00 0.00 N ATOM 808 CA TRP A 53 2.400 8.968 2.428 1.00 0.00 C ATOM 809 C TRP A 53 1.124 9.482 1.770 1.00 0.00 C ATOM 810 O TRP A 53 0.964 9.398 0.552 1.00 0.00 O ATOM 811 CB TRP A 53 3.110 7.987 1.495 1.00 0.00 C ATOM 812 CG TRP A 53 4.471 7.585 1.979 1.00 0.00 C ATOM 813 CD1 TRP A 53 5.672 8.062 1.536 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.768 6.624 2.997 1.00 0.00 C ATOM 815 NE1 TRP A 53 6.698 7.454 2.218 1.00 0.00 N ATOM 816 CE2 TRP A 53 6.171 6.569 3.120 1.00 0.00 C ATOM 817 CE3 TRP A 53 3.987 5.806 3.818 1.00 0.00 C ATOM 818 CZ2 TRP A 53 6.805 5.727 4.030 1.00 0.00 C ATOM 819 CZ3 TRP A 53 4.619 4.971 4.720 1.00 0.00 C ATOM 820 CH2 TRP A 53 6.016 4.937 4.821 1.00 0.00 C ATOM 0 H TRP A 53 1.650 7.419 3.626 1.00 0.00 H new ATOM 0 HA TRP A 53 3.056 9.817 2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.494 7.095 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.202 8.438 0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.797 8.807 0.764 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.692 7.633 2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.909 5.826 3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 7.882 5.698 4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.025 4.333 5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.479 4.274 5.537 1.00 0.00 H new ATOM 831 N LYS A 54 0.217 10.015 2.582 1.00 0.00 N ATOM 832 CA LYS A 54 -1.044 10.545 2.079 1.00 0.00 C ATOM 833 C LYS A 54 -0.809 11.769 1.201 1.00 0.00 C ATOM 834 O LYS A 54 -0.859 12.904 1.675 1.00 0.00 O ATOM 835 CB LYS A 54 -1.969 10.908 3.243 1.00 0.00 C ATOM 836 CG LYS A 54 -1.311 11.790 4.290 1.00 0.00 C ATOM 837 CD LYS A 54 -2.322 12.696 4.972 1.00 0.00 C ATOM 838 CE LYS A 54 -3.034 11.980 6.109 1.00 0.00 C ATOM 839 NZ LYS A 54 -4.205 11.198 5.625 1.00 0.00 N ATOM 0 H LYS A 54 0.333 10.091 3.593 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.518 9.772 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.849 11.418 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.317 9.991 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.819 11.166 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.536 12.396 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.817 13.581 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.055 13.040 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.335 11.313 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.365 12.710 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.832 10.981 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.726 11.755 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.876 10.311 5.193 1.00 0.00 H new ATOM 853 N GLY A 55 -0.553 11.532 -0.082 1.00 0.00 N ATOM 854 CA GLY A 55 -0.315 12.626 -1.005 1.00 0.00 C ATOM 855 C GLY A 55 1.005 12.490 -1.737 1.00 0.00 C ATOM 856 O GLY A 55 1.123 12.883 -2.899 1.00 0.00 O ATOM 0 H GLY A 55 -0.506 10.602 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.127 12.668 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.328 13.568 -0.458 1.00 0.00 H new ATOM 860 N LEU A 56 2.002 11.935 -1.057 1.00 0.00 N ATOM 861 CA LEU A 56 3.322 11.750 -1.649 1.00 0.00 C ATOM 862 C LEU A 56 3.297 10.647 -2.703 1.00 0.00 C ATOM 863 O LEU A 56 2.488 9.722 -2.629 1.00 0.00 O ATOM 864 CB LEU A 56 4.346 11.410 -0.565 1.00 0.00 C ATOM 865 CG LEU A 56 4.397 12.361 0.632 1.00 0.00 C ATOM 866 CD1 LEU A 56 4.944 11.647 1.858 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.240 13.585 0.304 1.00 0.00 C ATOM 0 H LEU A 56 1.921 11.605 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 56 3.609 12.684 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.136 10.406 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.335 11.381 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 56 3.382 12.692 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.973 12.339 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.300 10.803 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.951 11.287 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.266 14.251 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.255 13.272 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.804 14.109 -0.546 1.00 0.00 H new ATOM 879 N ARG A 57 4.188 10.752 -3.683 1.00 0.00 N ATOM 880 CA ARG A 57 4.269 9.764 -4.752 1.00 0.00 C ATOM 881 C ARG A 57 5.287 8.679 -4.414 1.00 0.00 C ATOM 882 O ARG A 57 6.473 8.961 -4.238 1.00 0.00 O ATOM 883 CB ARG A 57 4.645 10.439 -6.072 1.00 0.00 C ATOM 884 CG ARG A 57 4.960 9.458 -7.190 1.00 0.00 C ATOM 885 CD ARG A 57 3.714 9.101 -7.986 1.00 0.00 C ATOM 886 NE ARG A 57 4.027 8.765 -9.372 1.00 0.00 N ATOM 887 CZ ARG A 57 4.595 7.622 -9.741 1.00 0.00 C ATOM 888 NH1 ARG A 57 4.909 6.710 -8.831 1.00 0.00 N ATOM 889 NH2 ARG A 57 4.849 7.389 -11.022 1.00 0.00 N ATOM 0 H ARG A 57 4.864 11.512 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 57 3.289 9.298 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.825 11.084 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.511 11.081 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.707 9.891 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.396 8.552 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.211 8.257 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.018 9.939 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 57 3.797 9.445 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.715 6.885 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.345 5.833 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.608 8.088 -11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.285 6.511 -11.304 1.00 0.00 H new ATOM 903 N ILE A 58 4.817 7.440 -4.326 1.00 0.00 N ATOM 904 CA ILE A 58 5.687 6.314 -4.010 1.00 0.00 C ATOM 905 C ILE A 58 5.299 5.078 -4.814 1.00 0.00 C ATOM 906 O ILE A 58 4.179 4.974 -5.315 1.00 0.00 O ATOM 907 CB ILE A 58 5.641 5.971 -2.509 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.200 5.710 -2.067 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.257 7.096 -1.690 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.752 4.281 -2.279 1.00 0.00 C ATOM 0 H ILE A 58 3.839 7.190 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 58 6.701 6.614 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 58 6.222 5.064 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.102 5.960 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.534 6.376 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.217 6.839 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.295 7.238 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.700 8.017 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.721 4.169 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.818 4.032 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.394 3.610 -1.708 1.00 0.00 H new ATOM 922 N THR A 59 6.234 4.139 -4.934 1.00 0.00 N ATOM 923 CA THR A 59 5.991 2.909 -5.676 1.00 0.00 C ATOM 924 C THR A 59 5.789 1.728 -4.733 1.00 0.00 C ATOM 925 O THR A 59 6.519 1.570 -3.756 1.00 0.00 O ATOM 926 CB THR A 59 7.154 2.592 -6.635 1.00 0.00 C ATOM 927 OG1 THR A 59 7.288 3.637 -7.605 1.00 0.00 O ATOM 928 CG2 THR A 59 6.928 1.264 -7.341 1.00 0.00 C ATOM 0 H THR A 59 7.166 4.208 -4.526 1.00 0.00 H new ATOM 0 HA THR A 59 5.082 3.066 -6.257 1.00 0.00 H new ATOM 0 HB THR A 59 8.070 2.522 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.031 3.429 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.762 1.062 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.856 0.466 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.003 1.310 -7.916 1.00 0.00 H new ATOM 936 N VAL A 60 4.792 0.901 -5.033 1.00 0.00 N ATOM 937 CA VAL A 60 4.495 -0.267 -4.213 1.00 0.00 C ATOM 938 C VAL A 60 4.644 -1.554 -5.016 1.00 0.00 C ATOM 939 O VAL A 60 4.187 -1.645 -6.155 1.00 0.00 O ATOM 940 CB VAL A 60 3.070 -0.198 -3.633 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.771 -1.436 -2.802 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.892 1.066 -2.806 1.00 0.00 C ATOM 0 H VAL A 60 4.177 1.019 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 60 5.213 -0.269 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 60 2.361 -0.166 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.760 -1.369 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.855 -2.324 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.484 -1.504 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.879 1.098 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.609 1.067 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.060 1.940 -3.436 1.00 0.00 H new ATOM 952 N LYS A 61 5.286 -2.550 -4.413 1.00 0.00 N ATOM 953 CA LYS A 61 5.494 -3.835 -5.070 1.00 0.00 C ATOM 954 C LYS A 61 4.526 -4.884 -4.532 1.00 0.00 C ATOM 955 O LYS A 61 4.386 -5.050 -3.320 1.00 0.00 O ATOM 956 CB LYS A 61 6.936 -4.305 -4.869 1.00 0.00 C ATOM 957 CG LYS A 61 7.382 -4.296 -3.418 1.00 0.00 C ATOM 958 CD LYS A 61 8.421 -5.372 -3.147 1.00 0.00 C ATOM 959 CE LYS A 61 9.771 -5.006 -3.745 1.00 0.00 C ATOM 960 NZ LYS A 61 10.463 -3.954 -2.950 1.00 0.00 N ATOM 0 H LYS A 61 5.671 -2.491 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 61 5.306 -3.705 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.039 -5.315 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.602 -3.666 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.796 -3.319 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.519 -4.451 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.525 -5.516 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.082 -6.320 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.399 -5.895 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.632 -4.656 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.023 -3.351 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.757 -3.373 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.092 -4.403 -2.254 1.00 0.00 H new ATOM 974 N LEU A 62 3.862 -5.590 -5.440 1.00 0.00 N ATOM 975 CA LEU A 62 2.908 -6.625 -5.057 1.00 0.00 C ATOM 976 C LEU A 62 3.444 -8.012 -5.396 1.00 0.00 C ATOM 977 O LEU A 62 3.614 -8.356 -6.566 1.00 0.00 O ATOM 978 CB LEU A 62 1.569 -6.398 -5.760 1.00 0.00 C ATOM 979 CG LEU A 62 0.735 -5.221 -5.251 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.398 -4.913 -6.217 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.188 -5.517 -3.862 1.00 0.00 C ATOM 0 H LEU A 62 3.967 -5.465 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 62 2.760 -6.566 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.760 -6.249 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.974 -7.306 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 62 1.379 -4.344 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.981 -4.073 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.015 -4.658 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.042 -5.787 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.403 -4.669 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.441 -6.406 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.016 -5.688 -3.174 1.00 0.00 H new ATOM 993 N THR A 63 3.707 -8.808 -4.364 1.00 0.00 N ATOM 994 CA THR A 63 4.222 -10.158 -4.552 1.00 0.00 C ATOM 995 C THR A 63 3.220 -11.201 -4.071 1.00 0.00 C ATOM 996 O THR A 63 2.890 -11.259 -2.887 1.00 0.00 O ATOM 997 CB THR A 63 5.554 -10.360 -3.805 1.00 0.00 C ATOM 998 OG1 THR A 63 6.521 -9.408 -4.261 1.00 0.00 O ATOM 999 CG2 THR A 63 6.085 -11.770 -4.016 1.00 0.00 C ATOM 0 H THR A 63 3.572 -8.540 -3.389 1.00 0.00 H new ATOM 0 HA THR A 63 4.390 -10.286 -5.621 1.00 0.00 H new ATOM 0 HB THR A 63 5.373 -10.212 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.364 -9.542 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.026 -11.889 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.360 -12.492 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.250 -11.941 -5.080 1.00 0.00 H new ATOM 1007 N ILE A 64 2.740 -12.024 -4.998 1.00 0.00 N ATOM 1008 CA ILE A 64 1.776 -13.067 -4.667 1.00 0.00 C ATOM 1009 C ILE A 64 2.456 -14.426 -4.546 1.00 0.00 C ATOM 1010 O ILE A 64 3.075 -14.908 -5.494 1.00 0.00 O ATOM 1011 CB ILE A 64 0.659 -13.157 -5.724 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.190 -11.884 -5.710 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.208 -14.381 -5.475 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.879 -11.632 -4.388 1.00 0.00 C ATOM 0 H ILE A 64 3.003 -11.989 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 64 1.336 -12.797 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 64 1.117 -13.255 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.445 -11.031 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.942 -11.950 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.993 -14.431 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.407 -15.280 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.660 -14.311 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.463 -10.714 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.540 -12.467 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.131 -11.533 -3.601 1.00 0.00 H new ATOM 1026 N GLN A 65 2.336 -15.039 -3.373 1.00 0.00 N ATOM 1027 CA GLN A 65 2.938 -16.344 -3.128 1.00 0.00 C ATOM 1028 C GLN A 65 2.084 -17.168 -2.170 1.00 0.00 C ATOM 1029 O GLN A 65 1.841 -16.762 -1.034 1.00 0.00 O ATOM 1030 CB GLN A 65 4.348 -16.180 -2.559 1.00 0.00 C ATOM 1031 CG GLN A 65 4.970 -17.484 -2.085 1.00 0.00 C ATOM 1032 CD GLN A 65 6.418 -17.322 -1.666 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.749 -17.430 -0.485 1.00 0.00 O ATOM 1034 NE2 GLN A 65 7.289 -17.062 -2.633 1.00 0.00 N ATOM 0 H GLN A 65 1.827 -14.653 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 65 2.996 -16.872 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.989 -15.738 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.315 -15.479 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.394 -17.873 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.907 -18.223 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.970 -16.981 -3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.277 -16.943 -2.411 1.00 0.00 H new ATOM 1043 N ASN A 66 1.630 -18.327 -2.637 1.00 0.00 N ATOM 1044 CA ASN A 66 0.801 -19.207 -1.821 1.00 0.00 C ATOM 1045 C ASN A 66 -0.503 -18.519 -1.432 1.00 0.00 C ATOM 1046 O ASN A 66 -0.921 -18.568 -0.274 1.00 0.00 O ATOM 1047 CB ASN A 66 1.560 -19.637 -0.564 1.00 0.00 C ATOM 1048 CG ASN A 66 1.141 -21.010 -0.077 1.00 0.00 C ATOM 1049 OD1 ASN A 66 1.953 -21.934 -0.017 1.00 0.00 O ATOM 1050 ND2 ASN A 66 -0.132 -21.151 0.274 1.00 0.00 N ATOM 0 H ASN A 66 1.822 -18.678 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 66 0.562 -20.091 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.630 -19.639 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.391 -18.907 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.472 -22.052 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.770 -20.358 0.208 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.143 -17.879 -2.405 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.399 -17.180 -2.164 1.00 0.00 C ATOM 1059 C ARG A 67 -2.235 -16.126 -1.073 1.00 0.00 C ATOM 1060 O ARG A 67 -3.113 -15.952 -0.229 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.492 -18.174 -1.767 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.895 -19.117 -2.889 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.024 -20.042 -2.461 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.246 -19.305 -2.148 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.493 -18.764 -0.960 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.608 -18.876 0.021 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -7.628 -18.109 -0.751 1.00 0.00 N ATOM 0 H ARG A 67 -0.812 -17.830 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.690 -16.679 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.145 -18.762 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.371 -17.621 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.207 -18.538 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.033 -19.710 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.227 -20.759 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.712 -20.615 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.947 -19.200 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.734 -19.379 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.801 -18.459 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.312 -18.021 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.817 -17.694 0.161 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.104 -15.428 -1.098 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.824 -14.392 -0.110 1.00 0.00 C ATOM 1083 C GLN A 68 -0.435 -13.083 -0.789 1.00 0.00 C ATOM 1084 O GLN A 68 0.250 -13.083 -1.812 1.00 0.00 O ATOM 1085 CB GLN A 68 0.293 -14.844 0.831 1.00 0.00 C ATOM 1086 CG GLN A 68 0.704 -13.785 1.841 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.441 -13.360 2.739 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.516 -13.960 2.720 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -0.217 -12.318 3.532 1.00 0.00 N ATOM 0 H GLN A 68 -0.367 -15.561 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.731 -14.223 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.032 -15.737 1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.163 -15.127 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.518 -14.170 2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.089 -12.913 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.689 -11.850 3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.951 -11.986 4.157 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.876 -11.970 -0.214 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.572 -10.654 -0.762 1.00 0.00 C ATOM 1100 C ALA A 69 0.297 -9.847 0.196 1.00 0.00 C ATOM 1101 O ALA A 69 -0.005 -9.745 1.385 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.857 -9.902 -1.073 1.00 0.00 C ATOM 0 H ALA A 69 -1.446 -11.953 0.632 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.013 -10.794 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.615 -8.921 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.440 -10.465 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.438 -9.781 -0.159 1.00 0.00 H new ATOM 1108 N GLN A 70 1.377 -9.276 -0.329 1.00 0.00 N ATOM 1109 CA GLN A 70 2.290 -8.479 0.482 1.00 0.00 C ATOM 1110 C GLN A 70 2.518 -7.108 -0.144 1.00 0.00 C ATOM 1111 O GLN A 70 2.700 -6.991 -1.357 1.00 0.00 O ATOM 1112 CB GLN A 70 3.625 -9.206 0.647 1.00 0.00 C ATOM 1113 CG GLN A 70 3.520 -10.501 1.436 1.00 0.00 C ATOM 1114 CD GLN A 70 3.272 -10.266 2.913 1.00 0.00 C ATOM 1115 OE1 GLN A 70 2.772 -9.213 3.311 1.00 0.00 O ATOM 1116 NE2 GLN A 70 3.620 -11.249 3.736 1.00 0.00 N ATOM 0 H GLN A 70 1.641 -9.351 -1.311 1.00 0.00 H new ATOM 0 HA GLN A 70 1.837 -8.339 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.035 -9.424 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.331 -8.542 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.711 -11.106 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.440 -11.073 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.031 -12.105 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.476 -11.148 4.741 1.00 0.00 H new ATOM 1125 N ILE A 71 2.506 -6.073 0.689 1.00 0.00 N ATOM 1126 CA ILE A 71 2.713 -4.710 0.217 1.00 0.00 C ATOM 1127 C ILE A 71 3.842 -4.028 0.982 1.00 0.00 C ATOM 1128 O ILE A 71 3.883 -4.066 2.211 1.00 0.00 O ATOM 1129 CB ILE A 71 1.431 -3.866 0.355 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.903 -3.932 1.789 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.374 -4.345 -0.628 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.239 -2.977 2.057 1.00 0.00 C ATOM 0 H ILE A 71 2.355 -6.153 1.695 1.00 0.00 H new ATOM 0 HA ILE A 71 2.982 -4.779 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 71 1.670 -2.828 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.572 -4.949 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.718 -3.713 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.526 -3.739 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.754 -4.250 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.135 -5.389 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.563 -3.078 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.093 -1.954 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.071 -3.209 1.393 1.00 0.00 H new ATOM 1144 N GLU A 72 4.755 -3.402 0.246 1.00 0.00 N ATOM 1145 CA GLU A 72 5.884 -2.710 0.856 1.00 0.00 C ATOM 1146 C GLU A 72 6.366 -1.567 -0.032 1.00 0.00 C ATOM 1147 O GLU A 72 6.326 -1.659 -1.259 1.00 0.00 O ATOM 1148 CB GLU A 72 7.032 -3.689 1.113 1.00 0.00 C ATOM 1149 CG GLU A 72 8.308 -3.018 1.594 1.00 0.00 C ATOM 1150 CD GLU A 72 9.307 -4.006 2.165 1.00 0.00 C ATOM 1151 OE1 GLU A 72 10.062 -4.610 1.376 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.333 -4.174 3.402 1.00 0.00 O ATOM 0 H GLU A 72 4.735 -3.360 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 72 5.551 -2.293 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.715 -4.421 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.243 -4.237 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.767 -2.482 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.060 -2.277 2.354 1.00 0.00 H new ATOM 1159 N VAL A 73 6.821 -0.488 0.597 1.00 0.00 N ATOM 1160 CA VAL A 73 7.311 0.674 -0.134 1.00 0.00 C ATOM 1161 C VAL A 73 8.763 0.484 -0.558 1.00 0.00 C ATOM 1162 O VAL A 73 9.592 0.011 0.220 1.00 0.00 O ATOM 1163 CB VAL A 73 7.198 1.957 0.710 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.744 3.152 -0.058 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.755 2.195 1.127 1.00 0.00 C ATOM 0 H VAL A 73 6.860 -0.395 1.612 1.00 0.00 H new ATOM 0 HA VAL A 73 6.686 0.776 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 73 7.797 1.831 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.656 4.049 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.793 2.980 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.175 3.284 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.694 3.106 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.132 2.300 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.403 1.350 1.719 1.00 0.00 H new ATOM 1175 N VAL A 74 9.065 0.856 -1.798 1.00 0.00 N ATOM 1176 CA VAL A 74 10.418 0.728 -2.326 1.00 0.00 C ATOM 1177 C VAL A 74 11.179 2.045 -2.214 1.00 0.00 C ATOM 1178 O VAL A 74 10.617 3.130 -2.366 1.00 0.00 O ATOM 1179 CB VAL A 74 10.405 0.280 -3.800 1.00 0.00 C ATOM 1180 CG1 VAL A 74 9.719 -1.071 -3.941 1.00 0.00 C ATOM 1181 CG2 VAL A 74 9.725 1.326 -4.669 1.00 0.00 C ATOM 0 H VAL A 74 8.391 1.248 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 74 10.921 -0.031 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 74 11.436 0.175 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.719 -1.372 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.254 -1.814 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.691 -0.996 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.725 0.993 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.698 1.466 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.264 2.270 -4.591 1.00 0.00 H new ATOM 1191 N PRO A 75 12.489 1.950 -1.942 1.00 0.00 N ATOM 1192 CA PRO A 75 13.355 3.124 -1.805 1.00 0.00 C ATOM 1193 C PRO A 75 13.583 3.836 -3.134 1.00 0.00 C ATOM 1194 O PRO A 75 14.136 4.935 -3.174 1.00 0.00 O ATOM 1195 CB PRO A 75 14.668 2.536 -1.282 1.00 0.00 C ATOM 1196 CG PRO A 75 14.665 1.123 -1.752 1.00 0.00 C ATOM 1197 CD PRO A 75 13.225 0.689 -1.749 1.00 0.00 C ATOM 0 HA PRO A 75 12.918 3.878 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.528 3.081 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.721 2.591 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.095 1.043 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.264 0.492 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.018 -0.023 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.953 0.204 -0.811 1.00 0.00 H new