USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 13 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 18 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.12) USER MOD Single : A 20 SER OG : rot -27:sc= 0.741! USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0866 F(o=-1.4,f=-0.087) USER MOD Single : A 25 SER OG : rot 172:sc= -0.812 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 62:sc= 0.133 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -120:sc= -1.82! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 7:sc= 0.497 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -111:sc= 0.324 (180deg=-0.468) USER MOD Single : A 67 SER OG : rot 180:sc=-0.000201 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 70 GLN : amide:sc=-0.00463 X(o=-0.0046,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 11.140 18.999 3.767 1.00 0.00 N ATOM 148 CA THR A 13 11.563 18.163 4.883 1.00 0.00 C ATOM 149 C THR A 13 11.003 16.750 4.756 1.00 0.00 C ATOM 150 O THR A 13 9.852 16.546 4.370 1.00 0.00 O ATOM 151 CB THR A 13 11.119 18.760 6.231 1.00 0.00 C ATOM 152 OG1 THR A 13 12.023 18.357 7.266 1.00 0.00 O ATOM 153 CG2 THR A 13 9.707 18.314 6.581 1.00 0.00 C ATOM 0 HA THR A 13 12.652 18.123 4.853 1.00 0.00 H new ATOM 0 HB THR A 13 11.128 19.846 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.735 18.742 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.415 18.748 7.537 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.017 18.647 5.805 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.676 17.227 6.651 1.00 0.00 H new ATOM 161 N PRO A 14 11.834 15.751 5.088 1.00 0.00 N ATOM 162 CA PRO A 14 11.442 14.341 5.021 1.00 0.00 C ATOM 163 C PRO A 14 10.415 13.972 6.086 1.00 0.00 C ATOM 164 O PRO A 14 10.221 14.705 7.055 1.00 0.00 O ATOM 165 CB PRO A 14 12.756 13.595 5.264 1.00 0.00 C ATOM 166 CG PRO A 14 13.594 14.550 6.044 1.00 0.00 C ATOM 167 CD PRO A 14 13.219 15.922 5.556 1.00 0.00 C ATOM 0 HA PRO A 14 10.966 14.096 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.590 12.670 5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.236 13.323 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.406 14.451 7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.655 14.356 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.285 16.664 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.876 16.256 4.753 1.00 0.00 H new ATOM 175 N VAL A 15 9.759 12.831 5.900 1.00 0.00 N ATOM 176 CA VAL A 15 8.752 12.365 6.846 1.00 0.00 C ATOM 177 C VAL A 15 8.789 10.847 6.983 1.00 0.00 C ATOM 178 O VAL A 15 9.305 10.146 6.113 1.00 0.00 O ATOM 179 CB VAL A 15 7.337 12.797 6.418 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.389 12.773 7.607 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.371 14.178 5.781 1.00 0.00 C ATOM 0 H VAL A 15 9.907 12.212 5.103 1.00 0.00 H new ATOM 0 HA VAL A 15 8.986 12.820 7.808 1.00 0.00 H new ATOM 0 HB VAL A 15 6.969 12.089 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.394 13.081 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.342 11.763 8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.750 13.458 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.363 14.467 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.759 14.900 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.015 14.158 4.902 1.00 0.00 H new ATOM 191 N PHE A 16 8.237 10.345 8.083 1.00 0.00 N ATOM 192 CA PHE A 16 8.207 8.909 8.336 1.00 0.00 C ATOM 193 C PHE A 16 6.848 8.482 8.884 1.00 0.00 C ATOM 194 O PHE A 16 6.332 9.081 9.825 1.00 0.00 O ATOM 195 CB PHE A 16 9.312 8.519 9.320 1.00 0.00 C ATOM 196 CG PHE A 16 9.977 7.215 8.988 1.00 0.00 C ATOM 197 CD1 PHE A 16 11.020 7.166 8.077 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.561 6.037 9.587 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.635 5.967 7.768 1.00 0.00 C ATOM 200 CE2 PHE A 16 10.172 4.835 9.284 1.00 0.00 C ATOM 201 CZ PHE A 16 11.210 4.799 8.372 1.00 0.00 C ATOM 0 H PHE A 16 7.805 10.911 8.813 1.00 0.00 H new ATOM 0 HA PHE A 16 8.376 8.395 7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.065 9.307 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.889 8.457 10.323 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.357 8.076 7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.749 6.058 10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.446 5.943 7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.839 3.924 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.688 3.861 8.132 1.00 0.00 H new ATOM 211 N GLU A 17 6.276 7.442 8.285 1.00 0.00 N ATOM 212 CA GLU A 17 4.978 6.935 8.713 1.00 0.00 C ATOM 213 C GLU A 17 4.928 5.413 8.615 1.00 0.00 C ATOM 214 O GLU A 17 5.667 4.807 7.839 1.00 0.00 O ATOM 215 CB GLU A 17 3.861 7.548 7.865 1.00 0.00 C ATOM 216 CG GLU A 17 2.562 7.751 8.624 1.00 0.00 C ATOM 217 CD GLU A 17 2.238 9.216 8.849 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.426 10.015 7.908 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.800 9.562 9.966 1.00 0.00 O ATOM 0 H GLU A 17 6.691 6.935 7.503 1.00 0.00 H new ATOM 0 HA GLU A 17 4.832 7.220 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.198 8.509 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.673 6.904 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.747 7.283 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.626 7.245 9.587 1.00 0.00 H new ATOM 226 N GLN A 18 4.051 4.803 9.407 1.00 0.00 N ATOM 227 CA GLN A 18 3.907 3.351 9.410 1.00 0.00 C ATOM 228 C GLN A 18 2.471 2.948 9.089 1.00 0.00 C ATOM 229 O GLN A 18 1.521 3.606 9.513 1.00 0.00 O ATOM 230 CB GLN A 18 4.320 2.779 10.766 1.00 0.00 C ATOM 231 CG GLN A 18 5.720 2.188 10.777 1.00 0.00 C ATOM 232 CD GLN A 18 5.857 1.031 11.747 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.291 1.052 12.841 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.611 0.013 11.351 1.00 0.00 N ATOM 0 H GLN A 18 3.431 5.290 10.054 1.00 0.00 H new ATOM 0 HA GLN A 18 4.561 2.943 8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.262 3.567 11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.607 2.008 11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.975 1.848 9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.437 2.966 11.041 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.061 0.038 10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.740 -0.794 11.962 1.00 0.00 H new ATOM 243 N LEU A 19 2.321 1.861 8.340 1.00 0.00 N ATOM 244 CA LEU A 19 1.001 1.369 7.961 1.00 0.00 C ATOM 245 C LEU A 19 0.934 -0.150 8.075 1.00 0.00 C ATOM 246 O LEU A 19 1.671 -0.866 7.397 1.00 0.00 O ATOM 247 CB LEU A 19 0.663 1.801 6.534 1.00 0.00 C ATOM 248 CG LEU A 19 -0.582 2.674 6.373 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.357 4.044 6.993 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.955 2.806 4.904 1.00 0.00 C ATOM 0 H LEU A 19 3.097 1.304 7.983 1.00 0.00 H new ATOM 0 HA LEU A 19 0.270 1.799 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.517 2.343 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.535 0.906 5.926 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.409 2.193 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.254 4.651 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.139 3.931 8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.483 4.533 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.843 3.431 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.130 3.264 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.160 1.819 4.490 1.00 0.00 H new ATOM 262 N SER A 20 0.044 -0.635 8.935 1.00 0.00 N ATOM 263 CA SER A 20 -0.119 -2.071 9.138 1.00 0.00 C ATOM 264 C SER A 20 -1.128 -2.648 8.149 1.00 0.00 C ATOM 265 O SER A 20 -2.303 -2.282 8.159 1.00 0.00 O ATOM 266 CB SER A 20 -0.571 -2.356 10.571 1.00 0.00 C ATOM 267 OG SER A 20 -1.954 -2.662 10.618 1.00 0.00 O ATOM 0 H SER A 20 -0.575 -0.056 9.502 1.00 0.00 H new ATOM 0 HA SER A 20 0.845 -2.550 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.003 -3.189 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.365 -1.490 11.200 1.00 0.00 H new ATOM 0 HG SER A 20 -2.411 -2.229 9.867 1.00 0.00 H new ATOM 273 N VAL A 21 -0.659 -3.554 7.296 1.00 0.00 N ATOM 274 CA VAL A 21 -1.519 -4.184 6.303 1.00 0.00 C ATOM 275 C VAL A 21 -1.555 -5.697 6.487 1.00 0.00 C ATOM 276 O VAL A 21 -0.602 -6.312 6.966 1.00 0.00 O ATOM 277 CB VAL A 21 -1.049 -3.864 4.871 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.731 -2.383 4.732 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.158 -4.714 4.503 1.00 0.00 C ATOM 0 H VAL A 21 0.311 -3.867 7.274 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.520 -3.779 6.449 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.857 -4.104 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.401 -2.176 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.624 -1.797 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.060 -2.113 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.476 -4.474 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.973 -4.508 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.109 -5.769 4.560 1.00 0.00 H new ATOM 289 N PRO A 22 -2.681 -6.313 6.098 1.00 0.00 N ATOM 290 CA PRO A 22 -2.869 -7.763 6.209 1.00 0.00 C ATOM 291 C PRO A 22 -1.991 -8.538 5.233 1.00 0.00 C ATOM 292 O PRO A 22 -1.809 -8.128 4.088 1.00 0.00 O ATOM 293 CB PRO A 22 -4.348 -7.956 5.867 1.00 0.00 C ATOM 294 CG PRO A 22 -4.696 -6.785 5.015 1.00 0.00 C ATOM 295 CD PRO A 22 -3.857 -5.643 5.518 1.00 0.00 C ATOM 0 HA PRO A 22 -2.593 -8.135 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.513 -8.894 5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.962 -7.987 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.487 -6.990 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.758 -6.551 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.576 -4.965 4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.389 -5.050 6.262 1.00 0.00 H new ATOM 303 N GLN A 23 -1.449 -9.661 5.695 1.00 0.00 N ATOM 304 CA GLN A 23 -0.590 -10.493 4.861 1.00 0.00 C ATOM 305 C GLN A 23 -1.370 -11.080 3.690 1.00 0.00 C ATOM 306 O GLN A 23 -0.786 -11.621 2.751 1.00 0.00 O ATOM 307 CB GLN A 23 0.028 -11.619 5.694 1.00 0.00 C ATOM 308 CG GLN A 23 -0.978 -12.665 6.145 1.00 0.00 C ATOM 309 CD GLN A 23 -0.369 -13.699 7.070 1.00 0.00 C ATOM 310 OE1 GLN A 23 0.321 -13.236 8.105 1.00 0.00 O flip ATOM 311 NE2 GLN A 23 -0.518 -14.903 6.857 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.590 -10.015 6.641 1.00 0.00 H new ATOM 0 HA GLN A 23 0.207 -9.865 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.808 -12.106 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.510 -11.188 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.806 -12.172 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.393 -13.165 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.056 -15.215 6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.103 -15.588 7.489 1.00 0.00 H new ATOM 320 N ARG A 24 -2.693 -10.970 3.753 1.00 0.00 N ATOM 321 CA ARG A 24 -3.554 -11.491 2.698 1.00 0.00 C ATOM 322 C ARG A 24 -3.674 -10.492 1.551 1.00 0.00 C ATOM 323 O ARG A 24 -4.057 -10.852 0.437 1.00 0.00 O ATOM 324 CB ARG A 24 -4.942 -11.813 3.255 1.00 0.00 C ATOM 325 CG ARG A 24 -5.814 -10.586 3.463 1.00 0.00 C ATOM 326 CD ARG A 24 -6.632 -10.695 4.740 1.00 0.00 C ATOM 327 NE ARG A 24 -7.555 -9.574 4.896 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.093 -9.221 6.059 1.00 0.00 C ATOM 329 NH1 ARG A 24 -7.800 -9.896 7.161 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.925 -8.189 6.119 1.00 0.00 N ATOM 0 H ARG A 24 -3.192 -10.525 4.523 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.103 -12.406 2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.448 -12.497 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.831 -12.335 4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.187 -9.696 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.482 -10.464 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.194 -11.629 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.961 -10.734 5.598 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.800 -9.032 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.160 -10.689 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.215 -9.623 8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.152 -7.667 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.338 -7.918 7.011 1.00 0.00 H new ATOM 344 N SER A 25 -3.346 -9.235 1.831 1.00 0.00 N ATOM 345 CA SER A 25 -3.420 -8.182 0.824 1.00 0.00 C ATOM 346 C SER A 25 -2.026 -7.691 0.448 1.00 0.00 C ATOM 347 O SER A 25 -1.840 -7.045 -0.584 1.00 0.00 O ATOM 348 CB SER A 25 -4.264 -7.014 1.338 1.00 0.00 C ATOM 349 OG SER A 25 -5.440 -7.478 1.979 1.00 0.00 O ATOM 0 H SER A 25 -3.026 -8.920 2.747 1.00 0.00 H new ATOM 0 HA SER A 25 -3.892 -8.597 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.677 -6.417 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.532 -6.362 0.507 1.00 0.00 H new ATOM 0 HG SER A 25 -5.896 -6.725 2.410 1.00 0.00 H new ATOM 355 N VAL A 26 -1.048 -8.000 1.292 1.00 0.00 N ATOM 356 CA VAL A 26 0.330 -7.592 1.049 1.00 0.00 C ATOM 357 C VAL A 26 0.864 -8.200 -0.244 1.00 0.00 C ATOM 358 O VAL A 26 1.716 -7.614 -0.911 1.00 0.00 O ATOM 359 CB VAL A 26 1.251 -8.001 2.214 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.696 -9.448 2.061 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.453 -7.071 2.296 1.00 0.00 C ATOM 0 H VAL A 26 -1.184 -8.532 2.151 1.00 0.00 H new ATOM 0 HA VAL A 26 0.327 -6.505 0.962 1.00 0.00 H new ATOM 0 HB VAL A 26 0.690 -7.915 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.346 -9.719 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.822 -10.099 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.240 -9.564 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.092 -7.375 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.017 -7.122 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.112 -6.049 2.457 1.00 0.00 H new ATOM 371 N GLY A 27 0.356 -9.378 -0.591 1.00 0.00 N ATOM 372 CA GLY A 27 0.794 -10.047 -1.802 1.00 0.00 C ATOM 373 C GLY A 27 0.420 -9.279 -3.055 1.00 0.00 C ATOM 374 O GLY A 27 1.004 -9.489 -4.118 1.00 0.00 O ATOM 0 H GLY A 27 -0.351 -9.881 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.875 -10.179 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.352 -11.042 -1.844 1.00 0.00 H new ATOM 378 N ARG A 28 -0.559 -8.387 -2.930 1.00 0.00 N ATOM 379 CA ARG A 28 -1.011 -7.588 -4.063 1.00 0.00 C ATOM 380 C ARG A 28 -0.361 -6.208 -4.048 1.00 0.00 C ATOM 381 O ARG A 28 -0.118 -5.615 -5.100 1.00 0.00 O ATOM 382 CB ARG A 28 -2.534 -7.445 -4.035 1.00 0.00 C ATOM 383 CG ARG A 28 -3.123 -6.959 -5.350 1.00 0.00 C ATOM 384 CD ARG A 28 -3.721 -8.106 -6.150 1.00 0.00 C ATOM 385 NE ARG A 28 -2.804 -8.592 -7.178 1.00 0.00 N ATOM 386 CZ ARG A 28 -1.864 -9.502 -6.952 1.00 0.00 C ATOM 387 NH1 ARG A 28 -1.716 -10.022 -5.742 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.067 -9.894 -7.939 1.00 0.00 N ATOM 0 H ARG A 28 -1.053 -8.200 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.716 -8.100 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.977 -8.408 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.811 -6.749 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.892 -6.212 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.347 -6.469 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.977 -8.924 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.649 -7.777 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.891 -8.212 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.325 -9.723 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.993 -10.721 -5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.177 -9.496 -8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.345 -10.593 -7.764 1.00 0.00 H new ATOM 402 N ILE A 29 -0.080 -5.703 -2.851 1.00 0.00 N ATOM 403 CA ILE A 29 0.544 -4.394 -2.701 1.00 0.00 C ATOM 404 C ILE A 29 2.011 -4.434 -3.113 1.00 0.00 C ATOM 405 O ILE A 29 2.454 -3.644 -3.947 1.00 0.00 O ATOM 406 CB ILE A 29 0.442 -3.885 -1.252 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.017 -3.890 -0.787 1.00 0.00 C ATOM 408 CG2 ILE A 29 1.036 -2.490 -1.138 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.177 -4.123 0.699 1.00 0.00 C ATOM 0 H ILE A 29 -0.275 -6.181 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 29 0.004 -3.710 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 29 1.011 -4.554 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.476 -2.937 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.560 -4.665 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.956 -2.144 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.085 -2.516 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.493 -1.809 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.236 -4.114 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.747 -5.089 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.663 -3.334 1.248 1.00 0.00 H new ATOM 421 N ILE A 30 2.761 -5.359 -2.523 1.00 0.00 N ATOM 422 CA ILE A 30 4.178 -5.503 -2.830 1.00 0.00 C ATOM 423 C ILE A 30 4.381 -6.144 -4.200 1.00 0.00 C ATOM 424 O ILE A 30 5.425 -5.973 -4.827 1.00 0.00 O ATOM 425 CB ILE A 30 4.901 -6.352 -1.767 1.00 0.00 C ATOM 426 CG1 ILE A 30 5.098 -5.542 -0.484 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.238 -6.842 -2.300 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.083 -6.166 0.479 1.00 0.00 C ATOM 0 H ILE A 30 2.410 -6.020 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 30 4.604 -4.500 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 30 4.284 -7.220 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.442 -4.541 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.136 -5.428 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.737 -7.440 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.074 -7.451 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.863 -5.987 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.173 -5.538 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.731 -7.156 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.057 -6.255 -0.003 1.00 0.00 H new ATOM 440 N GLY A 31 3.374 -6.881 -4.657 1.00 0.00 N ATOM 441 CA GLY A 31 3.460 -7.533 -5.951 1.00 0.00 C ATOM 442 C GLY A 31 4.030 -8.935 -5.855 1.00 0.00 C ATOM 443 O GLY A 31 3.873 -9.608 -4.837 1.00 0.00 O ATOM 0 H GLY A 31 2.500 -7.038 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.467 -7.577 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.084 -6.935 -6.615 1.00 0.00 H new ATOM 447 N ARG A 32 4.693 -9.377 -6.919 1.00 0.00 N ATOM 448 CA ARG A 32 5.285 -10.708 -6.952 1.00 0.00 C ATOM 449 C ARG A 32 6.685 -10.695 -6.348 1.00 0.00 C ATOM 450 O ARG A 32 7.530 -11.520 -6.694 1.00 0.00 O ATOM 451 CB ARG A 32 5.343 -11.229 -8.390 1.00 0.00 C ATOM 452 CG ARG A 32 6.394 -10.540 -9.244 1.00 0.00 C ATOM 453 CD ARG A 32 6.606 -11.269 -10.562 1.00 0.00 C ATOM 454 NE ARG A 32 5.717 -10.775 -11.610 1.00 0.00 N ATOM 455 CZ ARG A 32 4.467 -11.196 -11.774 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.963 -12.116 -10.962 1.00 0.00 N ATOM 457 NH2 ARG A 32 3.720 -10.697 -12.750 1.00 0.00 N ATOM 0 H ARG A 32 4.833 -8.832 -7.770 1.00 0.00 H new ATOM 0 HA ARG A 32 4.657 -11.372 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.546 -12.300 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.366 -11.098 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.088 -9.512 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.336 -10.494 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.642 -11.150 -10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.438 -12.336 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 32 6.075 -10.068 -12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.535 -12.501 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.004 -12.438 -11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.105 -9.989 -13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.761 -11.021 -12.875 1.00 0.00 H new ATOM 471 N GLY A 33 6.925 -9.752 -5.441 1.00 0.00 N ATOM 472 CA GLY A 33 8.224 -9.649 -4.803 1.00 0.00 C ATOM 473 C GLY A 33 8.701 -8.216 -4.687 1.00 0.00 C ATOM 474 O GLY A 33 9.714 -7.940 -4.046 1.00 0.00 O ATOM 0 H GLY A 33 6.242 -9.058 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.173 -10.093 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.952 -10.226 -5.373 1.00 0.00 H new ATOM 478 N GLY A 34 7.968 -7.297 -5.310 1.00 0.00 N ATOM 479 CA GLY A 34 8.338 -5.894 -5.263 1.00 0.00 C ATOM 480 C GLY A 34 7.983 -5.159 -6.539 1.00 0.00 C ATOM 481 O GLY A 34 7.730 -3.954 -6.517 1.00 0.00 O ATOM 0 H GLY A 34 7.124 -7.500 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.836 -5.417 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.410 -5.810 -5.085 1.00 0.00 H new ATOM 485 N GLU A 35 7.966 -5.882 -7.653 1.00 0.00 N ATOM 486 CA GLU A 35 7.642 -5.287 -8.946 1.00 0.00 C ATOM 487 C GLU A 35 6.521 -4.260 -8.806 1.00 0.00 C ATOM 488 O GLU A 35 6.467 -3.279 -9.547 1.00 0.00 O ATOM 489 CB GLU A 35 7.231 -6.373 -9.943 1.00 0.00 C ATOM 490 CG GLU A 35 5.739 -6.657 -9.953 1.00 0.00 C ATOM 491 CD GLU A 35 4.968 -5.695 -10.835 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.571 -4.706 -11.303 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.762 -5.929 -11.057 1.00 0.00 O ATOM 0 H GLU A 35 8.172 -6.880 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 35 8.532 -4.780 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.542 -6.072 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.766 -7.293 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.569 -7.677 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.355 -6.598 -8.935 1.00 0.00 H new ATOM 500 N THR A 36 5.628 -4.493 -7.849 1.00 0.00 N ATOM 501 CA THR A 36 4.509 -3.591 -7.612 1.00 0.00 C ATOM 502 C THR A 36 4.882 -2.504 -6.610 1.00 0.00 C ATOM 503 O THR A 36 4.458 -1.355 -6.742 1.00 0.00 O ATOM 504 CB THR A 36 3.275 -4.351 -7.091 1.00 0.00 C ATOM 505 OG1 THR A 36 2.794 -5.251 -8.096 1.00 0.00 O ATOM 506 CG2 THR A 36 2.169 -3.384 -6.697 1.00 0.00 C ATOM 0 H THR A 36 5.659 -5.300 -7.225 1.00 0.00 H new ATOM 0 HA THR A 36 4.266 -3.131 -8.570 1.00 0.00 H new ATOM 0 HB THR A 36 3.571 -4.917 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.010 -5.732 -7.757 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.308 -3.945 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.529 -2.720 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.876 -2.793 -7.565 1.00 0.00 H new ATOM 514 N ILE A 37 5.677 -2.872 -5.612 1.00 0.00 N ATOM 515 CA ILE A 37 6.108 -1.927 -4.590 1.00 0.00 C ATOM 516 C ILE A 37 7.083 -0.903 -5.163 1.00 0.00 C ATOM 517 O ILE A 37 7.279 0.169 -4.592 1.00 0.00 O ATOM 518 CB ILE A 37 6.775 -2.647 -3.403 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.522 -1.877 -2.105 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.268 -2.802 -3.650 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.054 -1.686 -1.792 1.00 0.00 C ATOM 0 H ILE A 37 6.036 -3.819 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 37 5.213 -1.414 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 37 6.337 -3.640 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.995 -2.408 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.001 -0.900 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.726 -3.312 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.428 -3.387 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.721 -1.818 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.950 -1.133 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.579 -1.128 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.574 -2.659 -1.692 1.00 0.00 H new ATOM 533 N ARG A 38 7.690 -1.244 -6.296 1.00 0.00 N ATOM 534 CA ARG A 38 8.644 -0.354 -6.947 1.00 0.00 C ATOM 535 C ARG A 38 7.922 0.704 -7.776 1.00 0.00 C ATOM 536 O ARG A 38 8.306 1.874 -7.777 1.00 0.00 O ATOM 537 CB ARG A 38 9.594 -1.155 -7.839 1.00 0.00 C ATOM 538 CG ARG A 38 10.430 -2.172 -7.079 1.00 0.00 C ATOM 539 CD ARG A 38 11.732 -2.477 -7.804 1.00 0.00 C ATOM 540 NE ARG A 38 12.884 -1.875 -7.136 1.00 0.00 N ATOM 541 CZ ARG A 38 14.144 -2.151 -7.453 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.413 -3.014 -8.424 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.137 -1.563 -6.800 1.00 0.00 N ATOM 0 H ARG A 38 7.538 -2.128 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 38 9.222 0.149 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.013 -1.673 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.259 -0.465 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.648 -1.792 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.859 -3.092 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.870 -3.557 -7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.672 -2.107 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 38 12.711 -1.206 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.651 -3.467 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.381 -3.224 -8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.934 -0.898 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.104 -1.776 -7.044 1.00 0.00 H new ATOM 557 N SER A 39 6.876 0.285 -8.481 1.00 0.00 N ATOM 558 CA SER A 39 6.104 1.196 -9.318 1.00 0.00 C ATOM 559 C SER A 39 5.406 2.253 -8.469 1.00 0.00 C ATOM 560 O SER A 39 5.088 3.342 -8.951 1.00 0.00 O ATOM 561 CB SER A 39 5.071 0.418 -10.135 1.00 0.00 C ATOM 562 OG SER A 39 4.683 1.143 -11.289 1.00 0.00 O ATOM 0 H SER A 39 6.544 -0.679 -8.489 1.00 0.00 H new ATOM 0 HA SER A 39 6.792 1.698 -9.998 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.487 -0.546 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.195 0.213 -9.519 1.00 0.00 H new ATOM 0 HG SER A 39 4.023 0.624 -11.795 1.00 0.00 H new ATOM 568 N ILE A 40 5.170 1.926 -7.203 1.00 0.00 N ATOM 569 CA ILE A 40 4.510 2.847 -6.286 1.00 0.00 C ATOM 570 C ILE A 40 5.483 3.903 -5.773 1.00 0.00 C ATOM 571 O ILE A 40 5.250 5.103 -5.926 1.00 0.00 O ATOM 572 CB ILE A 40 3.898 2.103 -5.085 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.889 1.058 -5.564 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.235 3.089 -4.134 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.492 0.065 -4.494 1.00 0.00 C ATOM 0 H ILE A 40 5.426 1.030 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 40 3.712 3.333 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 40 4.697 1.590 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.995 1.567 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.312 0.517 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.807 2.548 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.977 3.800 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.445 3.626 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.775 -0.645 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.376 -0.471 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.039 0.595 -3.656 1.00 0.00 H new ATOM 587 N CYS A 41 6.574 3.450 -5.168 1.00 0.00 N ATOM 588 CA CYS A 41 7.585 4.356 -4.633 1.00 0.00 C ATOM 589 C CYS A 41 7.965 5.415 -5.662 1.00 0.00 C ATOM 590 O CYS A 41 8.287 6.550 -5.311 1.00 0.00 O ATOM 591 CB CYS A 41 8.828 3.572 -4.206 1.00 0.00 C ATOM 592 SG CYS A 41 10.325 4.578 -4.074 1.00 0.00 S ATOM 0 H CYS A 41 6.782 2.460 -5.035 1.00 0.00 H new ATOM 0 HA CYS A 41 7.164 4.857 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.634 3.100 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.004 2.771 -4.924 1.00 0.00 H new ATOM 0 HG CYS A 41 10.154 5.493 -3.167 1.00 0.00 H new ATOM 598 N LYS A 42 7.927 5.036 -6.935 1.00 0.00 N ATOM 599 CA LYS A 42 8.266 5.952 -8.017 1.00 0.00 C ATOM 600 C LYS A 42 7.068 6.818 -8.393 1.00 0.00 C ATOM 601 O LYS A 42 7.228 7.958 -8.829 1.00 0.00 O ATOM 602 CB LYS A 42 8.748 5.171 -9.242 1.00 0.00 C ATOM 603 CG LYS A 42 7.623 4.534 -10.039 1.00 0.00 C ATOM 604 CD LYS A 42 8.073 4.168 -11.443 1.00 0.00 C ATOM 605 CE LYS A 42 8.665 2.768 -11.490 1.00 0.00 C ATOM 606 NZ LYS A 42 10.076 2.779 -11.970 1.00 0.00 N ATOM 0 H LYS A 42 7.664 4.100 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 42 9.068 6.603 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.308 5.842 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.438 4.392 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.272 3.640 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.780 5.222 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.225 4.229 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.813 4.889 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.623 2.322 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.063 2.141 -12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.444 1.807 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.114 3.181 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.656 3.357 -11.329 1.00 0.00 H new ATOM 620 N ALA A 43 5.871 6.271 -8.220 1.00 0.00 N ATOM 621 CA ALA A 43 4.646 6.996 -8.538 1.00 0.00 C ATOM 622 C ALA A 43 4.378 8.095 -7.516 1.00 0.00 C ATOM 623 O ALA A 43 3.795 9.129 -7.841 1.00 0.00 O ATOM 624 CB ALA A 43 3.467 6.036 -8.604 1.00 0.00 C ATOM 0 H ALA A 43 5.722 5.328 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 43 4.774 7.466 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.559 6.590 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.649 5.289 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.347 5.540 -7.641 1.00 0.00 H new ATOM 630 N SER A 44 4.808 7.865 -6.280 1.00 0.00 N ATOM 631 CA SER A 44 4.610 8.836 -5.209 1.00 0.00 C ATOM 632 C SER A 44 5.908 9.578 -4.901 1.00 0.00 C ATOM 633 O SER A 44 5.898 10.767 -4.591 1.00 0.00 O ATOM 634 CB SER A 44 4.098 8.138 -3.947 1.00 0.00 C ATOM 635 OG SER A 44 4.795 6.925 -3.717 1.00 0.00 O ATOM 0 H SER A 44 5.295 7.016 -5.995 1.00 0.00 H new ATOM 0 HA SER A 44 3.867 9.561 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.218 8.798 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.032 7.935 -4.047 1.00 0.00 H new ATOM 0 HG SER A 44 4.161 6.178 -3.721 1.00 0.00 H new ATOM 641 N GLY A 45 7.026 8.863 -4.991 1.00 0.00 N ATOM 642 CA GLY A 45 8.317 9.469 -4.720 1.00 0.00 C ATOM 643 C GLY A 45 8.843 9.121 -3.342 1.00 0.00 C ATOM 644 O GLY A 45 9.994 9.411 -3.018 1.00 0.00 O ATOM 0 H GLY A 45 7.061 7.876 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.034 9.141 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.233 10.552 -4.811 1.00 0.00 H new ATOM 648 N ALA A 46 7.998 8.496 -2.529 1.00 0.00 N ATOM 649 CA ALA A 46 8.385 8.108 -1.177 1.00 0.00 C ATOM 650 C ALA A 46 8.820 6.647 -1.131 1.00 0.00 C ATOM 651 O ALA A 46 8.391 5.833 -1.949 1.00 0.00 O ATOM 652 CB ALA A 46 7.236 8.349 -0.210 1.00 0.00 C ATOM 0 H ALA A 46 7.042 8.247 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 46 9.233 8.723 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.539 8.055 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.972 9.407 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.373 7.758 -0.516 1.00 0.00 H new ATOM 658 N LYS A 47 9.677 6.320 -0.169 1.00 0.00 N ATOM 659 CA LYS A 47 10.171 4.957 -0.014 1.00 0.00 C ATOM 660 C LYS A 47 9.186 4.109 0.786 1.00 0.00 C ATOM 661 O LYS A 47 8.686 4.538 1.826 1.00 0.00 O ATOM 662 CB LYS A 47 11.534 4.963 0.680 1.00 0.00 C ATOM 663 CG LYS A 47 12.589 4.144 -0.044 1.00 0.00 C ATOM 664 CD LYS A 47 12.314 2.654 0.070 1.00 0.00 C ATOM 665 CE LYS A 47 13.468 1.923 0.738 1.00 0.00 C ATOM 666 NZ LYS A 47 14.532 1.559 -0.238 1.00 0.00 N ATOM 0 H LYS A 47 10.044 6.981 0.515 1.00 0.00 H new ATOM 0 HA LYS A 47 10.277 4.520 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.883 5.992 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.418 4.577 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.615 4.431 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.572 4.366 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.401 2.494 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.144 2.237 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.892 2.552 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.095 1.021 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.301 1.062 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.133 0.938 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.906 2.422 -0.682 1.00 0.00 H new ATOM 680 N ILE A 48 8.914 2.906 0.293 1.00 0.00 N ATOM 681 CA ILE A 48 7.991 1.998 0.963 1.00 0.00 C ATOM 682 C ILE A 48 8.644 0.644 1.222 1.00 0.00 C ATOM 683 O ILE A 48 9.161 0.005 0.305 1.00 0.00 O ATOM 684 CB ILE A 48 6.709 1.787 0.136 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.027 3.129 -0.138 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.761 0.843 0.862 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.161 3.592 -1.571 1.00 0.00 C ATOM 0 H ILE A 48 9.319 2.537 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 48 7.728 2.460 1.914 1.00 0.00 H new ATOM 0 HB ILE A 48 6.979 1.336 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.969 3.048 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.453 3.885 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.859 0.703 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.250 -0.120 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.494 1.268 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.654 4.549 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.216 3.706 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.709 2.855 -2.235 1.00 0.00 H new ATOM 699 N THR A 49 8.615 0.210 2.478 1.00 0.00 N ATOM 700 CA THR A 49 9.202 -1.068 2.859 1.00 0.00 C ATOM 701 C THR A 49 8.331 -1.791 3.880 1.00 0.00 C ATOM 702 O THR A 49 7.451 -1.190 4.496 1.00 0.00 O ATOM 703 CB THR A 49 10.615 -0.885 3.445 1.00 0.00 C ATOM 704 OG1 THR A 49 11.329 -2.125 3.400 1.00 0.00 O ATOM 705 CG2 THR A 49 10.545 -0.386 4.880 1.00 0.00 C ATOM 0 H THR A 49 8.191 0.726 3.249 1.00 0.00 H new ATOM 0 HA THR A 49 9.268 -1.668 1.952 1.00 0.00 H new ATOM 0 HB THR A 49 11.140 -0.143 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.227 -1.999 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.555 -0.264 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.027 0.573 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.003 -1.108 5.490 1.00 0.00 H new ATOM 713 N CYS A 50 8.583 -3.084 4.055 1.00 0.00 N ATOM 714 CA CYS A 50 7.821 -3.889 5.003 1.00 0.00 C ATOM 715 C CYS A 50 8.593 -4.074 6.304 1.00 0.00 C ATOM 716 O CYS A 50 9.808 -4.271 6.294 1.00 0.00 O ATOM 717 CB CYS A 50 7.490 -5.253 4.393 1.00 0.00 C ATOM 718 SG CYS A 50 8.838 -6.454 4.495 1.00 0.00 S ATOM 0 H CYS A 50 9.308 -3.597 3.553 1.00 0.00 H new ATOM 0 HA CYS A 50 6.893 -3.363 5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.615 -5.662 4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.219 -5.115 3.346 1.00 0.00 H new ATOM 0 HG CYS A 50 9.801 -5.965 5.218 1.00 0.00 H new ATOM 858 N LEU A 60 0.268 -12.684 11.398 1.00 0.00 N ATOM 859 CA LEU A 60 -1.125 -12.490 11.008 1.00 0.00 C ATOM 860 C LEU A 60 -1.252 -11.367 9.984 1.00 0.00 C ATOM 861 O LEU A 60 -1.904 -11.525 8.952 1.00 0.00 O ATOM 862 CB LEU A 60 -1.980 -12.175 12.237 1.00 0.00 C ATOM 863 CG LEU A 60 -2.245 -13.343 13.188 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.360 -13.239 14.420 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.714 -13.383 13.584 1.00 0.00 C ATOM 0 HA LEU A 60 -1.481 -13.414 10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.493 -11.378 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.939 -11.785 11.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.003 -14.272 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.562 -14.078 15.085 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.313 -13.259 14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.570 -12.305 14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.886 -14.220 14.261 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.982 -12.452 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.328 -13.506 12.692 1.00 0.00 H new ATOM 877 N SER A 61 -0.624 -10.232 10.276 1.00 0.00 N ATOM 878 CA SER A 61 -0.668 -9.082 9.382 1.00 0.00 C ATOM 879 C SER A 61 0.725 -8.492 9.187 1.00 0.00 C ATOM 880 O SER A 61 1.579 -8.584 10.069 1.00 0.00 O ATOM 881 CB SER A 61 -1.614 -8.014 9.936 1.00 0.00 C ATOM 882 OG SER A 61 -2.878 -8.569 10.254 1.00 0.00 O ATOM 0 H SER A 61 -0.079 -10.085 11.125 1.00 0.00 H new ATOM 0 HA SER A 61 -1.039 -9.419 8.414 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.177 -7.563 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.737 -7.217 9.203 1.00 0.00 H new ATOM 0 HG SER A 61 -3.464 -7.867 10.607 1.00 0.00 H new ATOM 888 N ARG A 62 0.947 -7.885 8.025 1.00 0.00 N ATOM 889 CA ARG A 62 2.236 -7.281 7.712 1.00 0.00 C ATOM 890 C ARG A 62 2.223 -5.785 8.013 1.00 0.00 C ATOM 891 O ARG A 62 1.170 -5.204 8.282 1.00 0.00 O ATOM 892 CB ARG A 62 2.589 -7.513 6.242 1.00 0.00 C ATOM 893 CG ARG A 62 3.807 -8.400 6.041 1.00 0.00 C ATOM 894 CD ARG A 62 3.565 -9.806 6.565 1.00 0.00 C ATOM 895 NE ARG A 62 3.892 -10.825 5.570 1.00 0.00 N ATOM 896 CZ ARG A 62 3.424 -12.068 5.610 1.00 0.00 C ATOM 897 NH1 ARG A 62 2.615 -12.443 6.590 1.00 0.00 N ATOM 898 NH2 ARG A 62 3.767 -12.936 4.668 1.00 0.00 N ATOM 0 H ARG A 62 0.250 -7.799 7.285 1.00 0.00 H new ATOM 0 HA ARG A 62 2.992 -7.754 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.734 -7.965 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.768 -6.550 5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.056 -8.444 4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.665 -7.963 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.166 -9.968 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.520 -9.908 6.859 1.00 0.00 H new ATOM 0 HE ARG A 62 4.513 -10.568 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.350 -11.777 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.257 -13.398 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.390 -12.649 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.408 -13.890 4.699 1.00 0.00 H new ATOM 912 N LEU A 63 3.397 -5.167 7.968 1.00 0.00 N ATOM 913 CA LEU A 63 3.522 -3.738 8.236 1.00 0.00 C ATOM 914 C LEU A 63 4.309 -3.043 7.130 1.00 0.00 C ATOM 915 O LEU A 63 5.115 -3.669 6.441 1.00 0.00 O ATOM 916 CB LEU A 63 4.204 -3.510 9.586 1.00 0.00 C ATOM 917 CG LEU A 63 3.633 -2.382 10.445 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.243 -2.411 11.838 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.873 -1.034 9.784 1.00 0.00 C ATOM 0 H LEU A 63 4.277 -5.633 7.748 1.00 0.00 H new ATOM 0 HA LEU A 63 2.520 -3.310 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.152 -4.437 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.259 -3.305 9.407 1.00 0.00 H new ATOM 0 HG LEU A 63 2.557 -2.531 10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.825 -1.601 12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.019 -3.366 12.314 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.323 -2.287 11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.460 -0.243 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.944 -0.876 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.387 -1.016 8.808 1.00 0.00 H new ATOM 931 N ILE A 64 4.073 -1.746 6.969 1.00 0.00 N ATOM 932 CA ILE A 64 4.763 -0.965 5.949 1.00 0.00 C ATOM 933 C ILE A 64 5.380 0.295 6.546 1.00 0.00 C ATOM 934 O ILE A 64 4.919 0.802 7.569 1.00 0.00 O ATOM 935 CB ILE A 64 3.810 -0.565 4.807 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.297 -1.811 4.082 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.514 0.368 3.833 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.288 -2.389 3.096 1.00 0.00 C ATOM 0 H ILE A 64 3.409 -1.213 7.531 1.00 0.00 H new ATOM 0 HA ILE A 64 5.554 -1.598 5.547 1.00 0.00 H new ATOM 0 HB ILE A 64 2.956 -0.038 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.045 -2.573 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.376 -1.561 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.828 0.642 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.836 1.267 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.383 -0.136 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.856 -3.270 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.522 -1.644 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.201 -2.671 3.621 1.00 0.00 H new ATOM 950 N LYS A 65 6.426 0.798 5.899 1.00 0.00 N ATOM 951 CA LYS A 65 7.107 2.001 6.362 1.00 0.00 C ATOM 952 C LYS A 65 7.252 3.014 5.231 1.00 0.00 C ATOM 953 O LYS A 65 8.125 2.880 4.373 1.00 0.00 O ATOM 954 CB LYS A 65 8.485 1.648 6.924 1.00 0.00 C ATOM 955 CG LYS A 65 8.516 1.538 8.439 1.00 0.00 C ATOM 956 CD LYS A 65 9.580 0.560 8.907 1.00 0.00 C ATOM 957 CE LYS A 65 10.966 1.185 8.869 1.00 0.00 C ATOM 958 NZ LYS A 65 11.332 1.799 10.175 1.00 0.00 N ATOM 0 H LYS A 65 6.821 0.390 5.051 1.00 0.00 H new ATOM 0 HA LYS A 65 6.503 2.448 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.812 0.702 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.202 2.406 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.708 2.520 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.540 1.215 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.355 0.234 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.563 -0.328 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.701 0.424 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.001 1.944 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.362 2.834 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.623 1.540 10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.267 1.452 10.472 1.00 0.00 H new ATOM 972 N ILE A 66 6.393 4.027 5.237 1.00 0.00 N ATOM 973 CA ILE A 66 6.427 5.064 4.213 1.00 0.00 C ATOM 974 C ILE A 66 7.293 6.240 4.650 1.00 0.00 C ATOM 975 O ILE A 66 7.091 6.809 5.723 1.00 0.00 O ATOM 976 CB ILE A 66 5.013 5.577 3.883 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.090 4.407 3.536 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.066 6.575 2.735 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.716 4.516 4.160 1.00 0.00 C ATOM 0 H ILE A 66 5.664 4.152 5.940 1.00 0.00 H new ATOM 0 HA ILE A 66 6.857 4.611 3.320 1.00 0.00 H new ATOM 0 HB ILE A 66 4.612 6.083 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.985 4.347 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.556 3.478 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.059 6.929 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.694 7.420 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.483 6.092 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.116 3.653 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.811 4.545 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.230 5.428 3.813 1.00 0.00 H new ATOM 991 N SER A 67 8.259 6.602 3.811 1.00 0.00 N ATOM 992 CA SER A 67 9.157 7.709 4.111 1.00 0.00 C ATOM 993 C SER A 67 9.285 8.646 2.914 1.00 0.00 C ATOM 994 O SER A 67 9.168 8.222 1.765 1.00 0.00 O ATOM 995 CB SER A 67 10.538 7.181 4.509 1.00 0.00 C ATOM 996 OG SER A 67 10.908 6.071 3.708 1.00 0.00 O ATOM 0 H SER A 67 8.439 6.144 2.918 1.00 0.00 H new ATOM 0 HA SER A 67 8.735 8.269 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.279 7.974 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.531 6.890 5.559 1.00 0.00 H new ATOM 0 HG SER A 67 11.794 5.752 3.980 1.00 0.00 H new ATOM 1002 N GLY A 68 9.525 9.924 3.192 1.00 0.00 N ATOM 1003 CA GLY A 68 9.665 10.902 2.129 1.00 0.00 C ATOM 1004 C GLY A 68 9.067 12.246 2.494 1.00 0.00 C ATOM 1005 O GLY A 68 8.798 12.516 3.665 1.00 0.00 O ATOM 0 H GLY A 68 9.625 10.299 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.722 11.030 1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.182 10.526 1.227 1.00 0.00 H new ATOM 1009 N THR A 69 8.860 13.093 1.491 1.00 0.00 N ATOM 1010 CA THR A 69 8.294 14.417 1.714 1.00 0.00 C ATOM 1011 C THR A 69 6.803 14.333 2.021 1.00 0.00 C ATOM 1012 O THR A 69 6.106 13.451 1.519 1.00 0.00 O ATOM 1013 CB THR A 69 8.504 15.331 0.491 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.334 14.580 -0.716 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.889 15.956 0.515 1.00 0.00 C ATOM 0 H THR A 69 9.076 12.885 0.516 1.00 0.00 H new ATOM 0 HA THR A 69 8.815 14.843 2.571 1.00 0.00 H new ATOM 0 HB THR A 69 7.762 16.129 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.468 15.168 -1.489 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.014 16.597 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.004 16.551 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.643 15.169 0.499 1.00 0.00 H new ATOM 1023 N GLN A 70 6.321 15.256 2.848 1.00 0.00 N ATOM 1024 CA GLN A 70 4.912 15.284 3.221 1.00 0.00 C ATOM 1025 C GLN A 70 4.022 15.052 2.005 1.00 0.00 C ATOM 1026 O GLN A 70 2.889 14.586 2.131 1.00 0.00 O ATOM 1027 CB GLN A 70 4.563 16.622 3.875 1.00 0.00 C ATOM 1028 CG GLN A 70 3.242 16.606 4.627 1.00 0.00 C ATOM 1029 CD GLN A 70 3.379 16.053 6.033 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.230 16.494 6.806 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.538 15.083 6.373 1.00 0.00 N ATOM 0 H GLN A 70 6.885 15.993 3.272 1.00 0.00 H new ATOM 0 HA GLN A 70 4.735 14.480 3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.361 16.899 4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.524 17.394 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.844 17.619 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.520 16.006 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.848 14.747 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.582 14.674 7.306 1.00 0.00 H new ATOM 1040 N LYS A 71 4.541 15.380 0.827 1.00 0.00 N ATOM 1041 CA LYS A 71 3.794 15.205 -0.414 1.00 0.00 C ATOM 1042 C LYS A 71 3.730 13.734 -0.809 1.00 0.00 C ATOM 1043 O LYS A 71 2.680 13.236 -1.215 1.00 0.00 O ATOM 1044 CB LYS A 71 4.439 16.019 -1.539 1.00 0.00 C ATOM 1045 CG LYS A 71 4.166 17.510 -1.444 1.00 0.00 C ATOM 1046 CD LYS A 71 2.676 17.804 -1.401 1.00 0.00 C ATOM 1047 CE LYS A 71 2.387 19.266 -1.703 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.280 19.798 -0.861 1.00 0.00 N ATOM 0 H LYS A 71 5.476 15.769 0.705 1.00 0.00 H new ATOM 0 HA LYS A 71 2.777 15.562 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.516 15.854 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.073 15.651 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.643 17.912 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.613 18.018 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.159 17.173 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.282 17.550 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.288 19.857 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.127 19.375 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.114 20.797 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.414 19.251 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.538 19.718 0.143 1.00 0.00 H new ATOM 1062 N GLU A 72 4.859 13.043 -0.687 1.00 0.00 N ATOM 1063 CA GLU A 72 4.929 11.628 -1.030 1.00 0.00 C ATOM 1064 C GLU A 72 4.273 10.772 0.049 1.00 0.00 C ATOM 1065 O GLU A 72 3.213 10.184 -0.168 1.00 0.00 O ATOM 1066 CB GLU A 72 6.386 11.198 -1.222 1.00 0.00 C ATOM 1067 CG GLU A 72 7.200 12.167 -2.064 1.00 0.00 C ATOM 1068 CD GLU A 72 8.691 12.038 -1.821 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.075 11.460 -0.783 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.474 12.516 -2.667 1.00 0.00 O ATOM 0 H GLU A 72 5.737 13.440 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 72 4.388 11.481 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.857 11.094 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.407 10.215 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.991 11.991 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.886 13.187 -1.843 1.00 0.00 H new ATOM 1077 N VAL A 73 4.911 10.707 1.214 1.00 0.00 N ATOM 1078 CA VAL A 73 4.390 9.925 2.329 1.00 0.00 C ATOM 1079 C VAL A 73 2.870 10.018 2.402 1.00 0.00 C ATOM 1080 O VAL A 73 2.203 9.091 2.862 1.00 0.00 O ATOM 1081 CB VAL A 73 4.987 10.393 3.669 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.385 9.607 4.824 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.502 10.259 3.653 1.00 0.00 C ATOM 0 H VAL A 73 5.790 11.187 1.410 1.00 0.00 H new ATOM 0 HA VAL A 73 4.680 8.889 2.153 1.00 0.00 H new ATOM 0 HB VAL A 73 4.741 11.445 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.818 9.951 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.306 9.760 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.599 8.546 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.907 10.594 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.773 9.216 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.913 10.871 2.850 1.00 0.00 H new ATOM 1093 N ALA A 74 2.327 11.142 1.943 1.00 0.00 N ATOM 1094 CA ALA A 74 0.885 11.354 1.955 1.00 0.00 C ATOM 1095 C ALA A 74 0.235 10.769 0.706 1.00 0.00 C ATOM 1096 O ALA A 74 -0.844 10.184 0.773 1.00 0.00 O ATOM 1097 CB ALA A 74 0.572 12.839 2.071 1.00 0.00 C ATOM 0 H ALA A 74 2.864 11.919 1.559 1.00 0.00 H new ATOM 0 HA ALA A 74 0.472 10.838 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.508 12.984 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.997 13.229 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.003 13.369 1.222 1.00 0.00 H new ATOM 1103 N ALA A 75 0.899 10.934 -0.434 1.00 0.00 N ATOM 1104 CA ALA A 75 0.385 10.421 -1.698 1.00 0.00 C ATOM 1105 C ALA A 75 0.564 8.910 -1.791 1.00 0.00 C ATOM 1106 O ALA A 75 -0.393 8.176 -2.035 1.00 0.00 O ATOM 1107 CB ALA A 75 1.076 11.109 -2.866 1.00 0.00 C ATOM 0 H ALA A 75 1.793 11.419 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.682 10.637 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.683 10.717 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.892 12.182 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.149 10.922 -2.816 1.00 0.00 H new ATOM 1113 N ALA A 76 1.796 8.451 -1.595 1.00 0.00 N ATOM 1114 CA ALA A 76 2.099 7.026 -1.655 1.00 0.00 C ATOM 1115 C ALA A 76 1.110 6.219 -0.821 1.00 0.00 C ATOM 1116 O ALA A 76 0.679 5.138 -1.225 1.00 0.00 O ATOM 1117 CB ALA A 76 3.522 6.769 -1.183 1.00 0.00 C ATOM 0 H ALA A 76 2.600 9.045 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 76 2.008 6.704 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.735 5.701 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.221 7.308 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.632 7.113 -0.155 1.00 0.00 H new ATOM 1123 N LYS A 77 0.753 6.749 0.344 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.186 6.079 1.235 1.00 0.00 C ATOM 1125 C LYS A 77 -1.492 5.766 0.512 1.00 0.00 C ATOM 1126 O LYS A 77 -2.168 4.785 0.826 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.465 6.948 2.462 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.773 6.148 3.716 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.355 7.028 4.810 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.291 7.455 5.809 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.425 8.890 6.185 1.00 0.00 N ATOM 0 H LYS A 77 1.101 7.642 0.693 1.00 0.00 H new ATOM 0 HA LYS A 77 0.264 5.140 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.400 7.584 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.305 7.608 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.477 5.351 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.138 5.671 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.811 7.911 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.147 6.488 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.365 6.837 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.697 7.282 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.319 9.141 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.329 9.482 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.358 9.050 6.615 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.843 6.604 -0.458 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.068 6.415 -1.227 1.00 0.00 C ATOM 1147 C HIS A 78 -2.906 5.282 -2.235 1.00 0.00 C ATOM 1148 O HIS A 78 -3.837 4.509 -2.470 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.445 7.707 -1.951 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.888 7.773 -2.347 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.804 8.594 -1.722 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.571 7.116 -3.313 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.988 8.436 -2.285 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.875 7.545 -3.253 1.00 0.00 N ATOM 0 H HIS A 78 -1.296 7.421 -0.730 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.866 6.150 -0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.215 8.555 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.827 7.807 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.167 6.390 -4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.895 8.949 -2.002 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.632 7.227 -3.858 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.722 5.187 -2.827 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.439 4.148 -3.812 1.00 0.00 C ATOM 1164 C LEU A 79 -1.329 2.781 -3.144 1.00 0.00 C ATOM 1165 O LEU A 79 -1.766 1.772 -3.697 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.145 4.467 -4.562 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.074 5.845 -5.221 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.236 6.008 -5.978 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.259 6.052 -6.153 1.00 0.00 C ATOM 0 H LEU A 79 -0.941 5.817 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.265 4.120 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.688 4.377 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.001 3.710 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.115 6.603 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.269 6.995 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.072 5.904 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.307 5.243 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.192 7.038 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.249 5.287 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.186 5.979 -5.584 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.744 2.757 -1.951 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.579 1.515 -1.206 1.00 0.00 C ATOM 1183 C ILE A 80 -1.924 0.836 -0.968 1.00 0.00 C ATOM 1184 O ILE A 80 -2.045 -0.385 -1.089 1.00 0.00 O ATOM 1185 CB ILE A 80 0.108 1.758 0.150 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.550 2.223 -0.061 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.071 0.495 0.996 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.070 3.103 1.054 1.00 0.00 C ATOM 0 H ILE A 80 -0.376 3.584 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 80 0.053 0.865 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.433 2.542 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.195 1.349 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.613 2.768 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.561 0.683 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.965 0.204 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.591 -0.308 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.098 3.395 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.448 3.995 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.039 2.554 1.995 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.931 1.632 -0.629 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.269 1.108 -0.375 1.00 0.00 C ATOM 1202 C LEU A 81 -4.921 0.631 -1.669 1.00 0.00 C ATOM 1203 O LEU A 81 -5.540 -0.432 -1.707 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.140 2.178 0.285 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.949 2.366 1.790 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.153 3.821 2.177 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.902 1.467 2.564 1.00 0.00 C ATOM 0 H LEU A 81 -2.847 2.643 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.178 0.257 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.945 3.131 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.186 1.932 0.100 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.927 2.085 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.013 3.935 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.430 4.443 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.163 4.131 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.752 1.614 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.930 1.717 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.707 0.425 2.310 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.776 1.423 -2.726 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.351 1.080 -4.022 1.00 0.00 C ATOM 1221 C GLU A 82 -5.185 -0.409 -4.313 1.00 0.00 C ATOM 1222 O GLU A 82 -6.032 -1.024 -4.962 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.694 1.904 -5.130 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.089 3.371 -5.115 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.625 3.845 -6.452 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.564 3.209 -6.974 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.104 4.853 -6.975 1.00 0.00 O ATOM 0 H GLU A 82 -4.266 2.306 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.416 1.310 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.611 1.827 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.960 1.475 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.846 3.532 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.223 3.974 -4.841 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.089 -0.983 -3.828 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.811 -2.398 -4.034 1.00 0.00 C ATOM 1236 C LYS A 83 -4.590 -3.256 -3.042 1.00 0.00 C ATOM 1237 O LYS A 83 -5.183 -4.269 -3.415 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.312 -2.670 -3.891 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.515 -2.364 -5.148 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.307 -0.869 -5.325 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.884 -0.530 -6.746 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.055 -0.240 -7.619 1.00 0.00 N ATOM 0 H LYS A 83 -3.378 -0.488 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.128 -2.662 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.920 -2.073 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.165 -3.716 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.548 -2.864 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.036 -2.765 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.229 -0.341 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.547 -0.521 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.220 0.334 -6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.316 -1.361 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.725 -0.014 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.677 -1.073 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.583 0.570 -7.234 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.587 -2.843 -1.780 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.297 -3.573 -0.735 1.00 0.00 C ATOM 1258 C VAL A 84 -6.771 -3.740 -1.086 1.00 0.00 C ATOM 1259 O VAL A 84 -7.399 -4.733 -0.716 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.181 -2.860 0.625 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.780 -3.717 1.731 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.730 -2.522 0.927 1.00 0.00 C ATOM 0 H VAL A 84 -4.101 -2.007 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.831 -4.556 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.744 -1.928 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.689 -3.197 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.833 -3.902 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.248 -4.667 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.667 -2.019 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.141 -3.439 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.340 -1.866 0.149 1.00 0.00 H new ATOM 1272 N SER A 85 -7.317 -2.763 -1.802 1.00 0.00 N ATOM 1273 CA SER A 85 -8.720 -2.800 -2.200 1.00 0.00 C ATOM 1274 C SER A 85 -8.930 -3.769 -3.360 1.00 0.00 C ATOM 1275 O SER A 85 -9.975 -4.410 -3.464 1.00 0.00 O ATOM 1276 CB SER A 85 -9.196 -1.401 -2.597 1.00 0.00 C ATOM 1277 OG SER A 85 -9.934 -0.797 -1.549 1.00 0.00 O ATOM 0 H SER A 85 -6.810 -1.936 -2.119 1.00 0.00 H new ATOM 0 HA SER A 85 -9.305 -3.147 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.337 -0.778 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.815 -1.464 -3.492 1.00 0.00 H new ATOM 0 HG SER A 85 -10.225 0.096 -1.827 1.00 0.00 H new ATOM 1283 N GLU A 86 -7.928 -3.869 -4.228 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.004 -4.759 -5.380 1.00 0.00 C ATOM 1285 C GLU A 86 -8.131 -6.213 -4.937 1.00 0.00 C ATOM 1286 O GLU A 86 -9.129 -6.875 -5.223 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.767 -4.590 -6.264 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.905 -3.488 -7.302 1.00 0.00 C ATOM 1289 CD GLU A 86 -5.740 -3.451 -8.272 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -4.638 -3.900 -7.893 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.931 -2.974 -9.410 1.00 0.00 O ATOM 0 H GLU A 86 -7.056 -3.345 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.892 -4.494 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.906 -4.376 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.563 -5.532 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.831 -3.632 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.983 -2.525 -6.796 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.114 -6.704 -4.238 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.111 -8.079 -3.754 1.00 0.00 C ATOM 1300 C ASP A 87 -8.300 -8.334 -2.833 1.00 0.00 C ATOM 1301 O ASP A 87 -8.842 -9.438 -2.796 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.806 -8.381 -3.017 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.448 -9.854 -3.052 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.349 -10.678 -3.314 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.266 -10.183 -2.819 1.00 0.00 O ATOM 0 H ASP A 87 -6.280 -6.170 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.193 -8.741 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.997 -7.803 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.894 -8.056 -1.980 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.699 -7.305 -2.091 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.822 -7.420 -1.168 1.00 0.00 C ATOM 1312 C GLU A 88 -11.083 -7.871 -1.900 1.00 0.00 C ATOM 1313 O GLU A 88 -11.876 -8.647 -1.369 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.075 -6.082 -0.470 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.519 -5.882 -0.042 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.763 -4.516 0.568 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.105 -3.547 0.134 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.611 -4.414 1.479 1.00 0.00 O ATOM 0 H GLU A 88 -8.262 -6.384 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.569 -8.171 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.432 -6.012 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.788 -5.272 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.171 -6.012 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.790 -6.652 0.680 1.00 0.00 H new