USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ -116:sc= 0.912 (180deg=0) USER MOD Set 1.2: A 25 TYR OH : rot 180:sc= 0.792 USER MOD Single : A 9 HIS : no HD1:sc= -0.871 X(o=-0.87,f=-1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.0755 (180deg=-0.578) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0165 (180deg=-0.188) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.352 (180deg=-0.577) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00812) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.108 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00407 USER MOD Single : A 59 GLN : amide:sc= -0.0339 K(o=-0.034,f=-1.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 125:sc= -0.0169 (180deg=-0.322) USER MOD Single : A 69 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.19) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc=-0.00762 X(o=-0.0076,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 91 MET CE :methyl 166:sc= 0 (180deg=-0.362) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 14:sc= 0.859 USER MOD Single : A 98 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.19) USER MOD Single : A 99 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.0042) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -118:sc= 1.27 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0378 USER MOD Single : B 732 TYR OH : rot -3:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -9.251 12.293 4.234 1.00 0.00 N ATOM 198 CA HIS A 9 -10.395 13.176 4.027 1.00 0.00 C ATOM 199 C HIS A 9 -11.628 12.392 3.536 1.00 0.00 C ATOM 200 O HIS A 9 -12.673 12.471 4.188 1.00 0.00 O ATOM 201 CB HIS A 9 -10.008 14.341 3.079 1.00 0.00 C ATOM 202 CG HIS A 9 -11.115 14.828 2.165 1.00 0.00 C ATOM 203 ND1 HIS A 9 -12.386 15.190 2.546 1.00 0.00 N ATOM 204 CD2 HIS A 9 -11.090 14.815 0.795 1.00 0.00 C ATOM 205 CE1 HIS A 9 -13.118 15.371 1.439 1.00 0.00 C ATOM 206 NE2 HIS A 9 -12.374 15.158 0.339 1.00 0.00 N ATOM 0 HA HIS A 9 -10.678 13.616 4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.663 15.180 3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.166 14.023 2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.236 14.583 0.176 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.161 15.649 1.431 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.680 15.231 -0.631 1.00 0.00 H new ATOM 214 N PRO A 10 -11.579 11.657 2.403 1.00 0.00 N ATOM 215 CA PRO A 10 -12.713 10.900 1.879 1.00 0.00 C ATOM 216 C PRO A 10 -12.946 9.602 2.681 1.00 0.00 C ATOM 217 O PRO A 10 -13.102 8.533 2.092 1.00 0.00 O ATOM 218 CB PRO A 10 -12.332 10.666 0.409 1.00 0.00 C ATOM 219 CG PRO A 10 -10.829 10.444 0.473 1.00 0.00 C ATOM 220 CD PRO A 10 -10.429 11.474 1.521 1.00 0.00 C ATOM 0 HA PRO A 10 -13.668 11.419 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.850 9.803 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.587 11.523 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.574 9.428 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.344 10.622 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.561 11.133 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.152 12.416 1.049 1.00 0.00 H new ATOM 228 N PHE A 11 -13.023 9.680 4.012 1.00 0.00 N ATOM 229 CA PHE A 11 -13.216 8.549 4.914 1.00 0.00 C ATOM 230 C PHE A 11 -14.410 7.669 4.526 1.00 0.00 C ATOM 231 O PHE A 11 -14.249 6.468 4.313 1.00 0.00 O ATOM 232 CB PHE A 11 -13.362 9.070 6.349 1.00 0.00 C ATOM 233 CG PHE A 11 -13.463 7.957 7.369 1.00 0.00 C ATOM 234 CD1 PHE A 11 -12.312 7.233 7.737 1.00 0.00 C ATOM 235 CD2 PHE A 11 -14.713 7.604 7.910 1.00 0.00 C ATOM 236 CE1 PHE A 11 -12.410 6.166 8.647 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.808 6.536 8.816 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.659 5.816 9.187 1.00 0.00 C ATOM 0 H PHE A 11 -12.949 10.569 4.507 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.337 7.909 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.507 9.701 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.250 9.698 6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.352 7.498 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.599 8.154 7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.525 5.615 8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.768 6.266 9.230 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.736 4.996 9.885 1.00 0.00 H new ATOM 248 N GLU A 12 -15.602 8.252 4.349 1.00 0.00 N ATOM 249 CA GLU A 12 -16.784 7.469 3.987 1.00 0.00 C ATOM 250 C GLU A 12 -16.627 6.785 2.617 1.00 0.00 C ATOM 251 O GLU A 12 -17.196 5.712 2.380 1.00 0.00 O ATOM 252 CB GLU A 12 -18.052 8.342 4.050 1.00 0.00 C ATOM 253 CG GLU A 12 -18.031 9.635 3.212 1.00 0.00 C ATOM 254 CD GLU A 12 -19.440 10.215 3.015 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.156 10.460 4.014 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.851 10.379 1.838 1.00 0.00 O ATOM 0 H GLU A 12 -15.770 9.253 4.450 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.890 6.669 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.900 7.738 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.231 8.611 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.399 10.375 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.584 9.430 2.239 1.00 0.00 H new ATOM 263 N TYR A 13 -15.873 7.416 1.715 1.00 0.00 N ATOM 264 CA TYR A 13 -15.607 6.946 0.368 1.00 0.00 C ATOM 265 C TYR A 13 -14.690 5.730 0.411 1.00 0.00 C ATOM 266 O TYR A 13 -15.050 4.681 -0.129 1.00 0.00 O ATOM 267 CB TYR A 13 -14.916 8.084 -0.403 1.00 0.00 C ATOM 268 CG TYR A 13 -15.589 8.532 -1.671 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.605 7.692 -2.800 1.00 0.00 C ATOM 270 CD2 TYR A 13 -16.104 9.839 -1.745 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.150 8.162 -4.006 1.00 0.00 C ATOM 272 CE2 TYR A 13 -16.643 10.314 -2.948 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.665 9.474 -4.080 1.00 0.00 C ATOM 274 OH TYR A 13 -17.266 9.895 -5.214 1.00 0.00 O ATOM 0 H TYR A 13 -15.415 8.305 1.919 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.539 6.661 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.829 8.944 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.902 7.766 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.201 6.692 -2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.084 10.477 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.175 7.521 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.039 11.317 -3.008 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.566 10.821 -5.101 1.00 0.00 H new ATOM 284 N ARG A 14 -13.546 5.845 1.101 1.00 0.00 N ATOM 285 CA ARG A 14 -12.603 4.739 1.204 1.00 0.00 C ATOM 286 C ARG A 14 -13.259 3.605 1.958 1.00 0.00 C ATOM 287 O ARG A 14 -13.115 2.470 1.530 1.00 0.00 O ATOM 288 CB ARG A 14 -11.240 5.159 1.773 1.00 0.00 C ATOM 289 CG ARG A 14 -11.239 5.699 3.207 1.00 0.00 C ATOM 290 CD ARG A 14 -9.847 6.191 3.604 1.00 0.00 C ATOM 291 NE ARG A 14 -8.943 5.118 4.049 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.624 5.065 3.844 1.00 0.00 C ATOM 293 NH1 ARG A 14 -7.050 5.721 2.841 1.00 0.00 N ATOM 294 NH2 ARG A 14 -6.898 4.342 4.681 1.00 0.00 N ATOM 0 H ARG A 14 -13.259 6.692 1.592 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.360 4.385 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.572 4.299 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.817 5.922 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.956 6.516 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.563 4.917 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.397 6.704 2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.946 6.925 4.403 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.363 4.343 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.619 6.281 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.041 5.664 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.349 3.848 5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.888 4.278 4.556 1.00 0.00 H new ATOM 308 N LYS A 15 -14.055 3.881 2.996 1.00 0.00 N ATOM 309 CA LYS A 15 -14.723 2.817 3.728 1.00 0.00 C ATOM 310 C LYS A 15 -15.676 2.065 2.803 1.00 0.00 C ATOM 311 O LYS A 15 -15.716 0.838 2.870 1.00 0.00 O ATOM 312 CB LYS A 15 -15.403 3.361 4.995 1.00 0.00 C ATOM 313 CG LYS A 15 -15.939 2.212 5.869 1.00 0.00 C ATOM 314 CD LYS A 15 -17.432 1.900 5.655 1.00 0.00 C ATOM 315 CE LYS A 15 -18.363 2.761 6.520 1.00 0.00 C ATOM 316 NZ LYS A 15 -18.120 2.548 7.962 1.00 0.00 N ATOM 0 H LYS A 15 -14.247 4.822 3.340 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.984 2.095 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.691 3.957 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.222 4.024 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.358 1.313 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.778 2.463 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.681 2.051 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.611 0.848 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.215 3.813 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.401 2.523 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.964 2.828 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.916 1.543 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.308 3.123 8.266 1.00 0.00 H new ATOM 330 N LYS A 16 -16.461 2.745 1.950 1.00 0.00 N ATOM 331 CA LYS A 16 -17.359 2.015 1.047 1.00 0.00 C ATOM 332 C LYS A 16 -16.557 1.150 0.077 1.00 0.00 C ATOM 333 O LYS A 16 -16.924 -0.004 -0.138 1.00 0.00 O ATOM 334 CB LYS A 16 -18.278 2.942 0.239 1.00 0.00 C ATOM 335 CG LYS A 16 -19.481 3.462 1.036 1.00 0.00 C ATOM 336 CD LYS A 16 -20.600 3.963 0.116 1.00 0.00 C ATOM 337 CE LYS A 16 -20.168 5.157 -0.744 1.00 0.00 C ATOM 338 NZ LYS A 16 -21.230 5.551 -1.689 1.00 0.00 N ATOM 0 H LYS A 16 -16.492 3.761 1.868 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.987 1.392 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.697 3.791 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.639 2.407 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.865 2.667 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.160 4.271 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.922 3.150 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.461 4.248 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.920 6.001 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.264 4.901 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.907 6.361 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.448 4.753 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.084 5.818 -1.159 1.00 0.00 H new ATOM 352 N GLU A 17 -15.505 1.695 -0.532 1.00 0.00 N ATOM 353 CA GLU A 17 -14.690 0.946 -1.483 1.00 0.00 C ATOM 354 C GLU A 17 -13.998 -0.239 -0.802 1.00 0.00 C ATOM 355 O GLU A 17 -14.067 -1.368 -1.291 1.00 0.00 O ATOM 356 CB GLU A 17 -13.638 1.859 -2.111 1.00 0.00 C ATOM 357 CG GLU A 17 -14.180 2.958 -3.032 1.00 0.00 C ATOM 358 CD GLU A 17 -13.073 3.910 -3.500 1.00 0.00 C ATOM 359 OE1 GLU A 17 -11.875 3.521 -3.510 1.00 0.00 O ATOM 360 OE2 GLU A 17 -13.391 5.058 -3.862 1.00 0.00 O ATOM 0 H GLU A 17 -15.198 2.656 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.350 0.563 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.067 2.329 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.942 1.243 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.657 2.502 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.949 3.525 -2.507 1.00 0.00 H new ATOM 367 N GLY A 18 -13.374 0.011 0.348 1.00 0.00 N ATOM 368 CA GLY A 18 -12.659 -0.960 1.146 1.00 0.00 C ATOM 369 C GLY A 18 -13.606 -2.071 1.553 1.00 0.00 C ATOM 370 O GLY A 18 -13.254 -3.233 1.415 1.00 0.00 O ATOM 0 H GLY A 18 -13.358 0.944 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.823 -1.369 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.240 -0.482 2.031 1.00 0.00 H new ATOM 374 N GLU A 19 -14.826 -1.752 1.993 1.00 0.00 N ATOM 375 CA GLU A 19 -15.809 -2.751 2.384 1.00 0.00 C ATOM 376 C GLU A 19 -16.163 -3.639 1.187 1.00 0.00 C ATOM 377 O GLU A 19 -16.154 -4.867 1.315 1.00 0.00 O ATOM 378 CB GLU A 19 -17.070 -2.066 2.927 1.00 0.00 C ATOM 379 CG GLU A 19 -18.149 -3.097 3.281 1.00 0.00 C ATOM 380 CD GLU A 19 -19.468 -2.432 3.645 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.575 -1.855 4.753 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.432 -2.573 2.853 1.00 0.00 O ATOM 0 H GLU A 19 -15.155 -0.791 2.086 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.383 -3.375 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.818 -1.481 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.458 -1.369 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.301 -3.768 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.807 -3.708 4.116 1.00 0.00 H new ATOM 389 N LYS A 20 -16.364 -3.061 -0.005 1.00 0.00 N ATOM 390 CA LYS A 20 -16.739 -3.864 -1.168 1.00 0.00 C ATOM 391 C LYS A 20 -15.600 -4.808 -1.527 1.00 0.00 C ATOM 392 O LYS A 20 -15.847 -5.960 -1.883 1.00 0.00 O ATOM 393 CB LYS A 20 -16.960 -2.966 -2.401 1.00 0.00 C ATOM 394 CG LYS A 20 -18.254 -2.147 -2.435 1.00 0.00 C ATOM 395 CD LYS A 20 -18.222 -1.244 -3.683 1.00 0.00 C ATOM 396 CE LYS A 20 -19.446 -0.337 -3.849 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.555 0.680 -2.782 1.00 0.00 N ATOM 0 H LYS A 20 -16.275 -2.061 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.650 -4.405 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.119 -2.276 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.933 -3.596 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.121 -2.807 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.345 -1.544 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.328 -0.621 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.131 -1.874 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.394 0.162 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.348 -0.949 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.400 1.264 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.633 0.208 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.709 1.285 -2.791 1.00 0.00 H new ATOM 411 N ILE A 21 -14.363 -4.331 -1.436 1.00 0.00 N ATOM 412 CA ILE A 21 -13.182 -5.111 -1.753 1.00 0.00 C ATOM 413 C ILE A 21 -12.864 -6.117 -0.639 1.00 0.00 C ATOM 414 O ILE A 21 -12.416 -7.226 -0.941 1.00 0.00 O ATOM 415 CB ILE A 21 -12.073 -4.075 -2.049 1.00 0.00 C ATOM 416 CG1 ILE A 21 -12.362 -3.316 -3.368 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.667 -4.661 -2.084 1.00 0.00 C ATOM 418 CD1 ILE A 21 -12.420 -4.189 -4.625 1.00 0.00 C ATOM 0 H ILE A 21 -14.155 -3.379 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.310 -5.751 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.096 -3.381 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.312 -2.791 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.592 -2.557 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.948 -3.870 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.436 -5.110 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.610 -5.423 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.627 -3.563 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.464 -4.694 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.210 -4.932 -4.516 1.00 0.00 H new ATOM 430 N ARG A 22 -13.210 -5.837 0.616 1.00 0.00 N ATOM 431 CA ARG A 22 -12.969 -6.730 1.743 1.00 0.00 C ATOM 432 C ARG A 22 -13.895 -7.918 1.591 1.00 0.00 C ATOM 433 O ARG A 22 -13.455 -9.065 1.638 1.00 0.00 O ATOM 434 CB ARG A 22 -13.173 -5.975 3.076 1.00 0.00 C ATOM 435 CG ARG A 22 -12.831 -6.753 4.363 1.00 0.00 C ATOM 436 CD ARG A 22 -11.570 -7.606 4.197 1.00 0.00 C ATOM 437 NE ARG A 22 -10.978 -8.072 5.456 1.00 0.00 N ATOM 438 CZ ARG A 22 -9.918 -8.889 5.505 1.00 0.00 C ATOM 439 NH1 ARG A 22 -9.283 -9.241 4.385 1.00 0.00 N ATOM 440 NH2 ARG A 22 -9.485 -9.329 6.677 1.00 0.00 N ATOM 0 H ARG A 22 -13.674 -4.968 0.881 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.940 -7.088 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.566 -5.070 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.215 -5.659 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.689 -6.051 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.670 -7.394 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.812 -8.473 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.824 -7.027 3.653 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.393 -7.759 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.604 -8.887 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.476 -9.864 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.958 -9.045 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.678 -9.952 6.722 1.00 0.00 H new ATOM 454 N LYS A 23 -15.186 -7.664 1.357 1.00 0.00 N ATOM 455 CA LYS A 23 -16.129 -8.760 1.181 1.00 0.00 C ATOM 456 C LYS A 23 -15.807 -9.543 -0.087 1.00 0.00 C ATOM 457 O LYS A 23 -15.953 -10.763 -0.084 1.00 0.00 O ATOM 458 CB LYS A 23 -17.582 -8.264 1.141 1.00 0.00 C ATOM 459 CG LYS A 23 -18.056 -7.484 2.376 1.00 0.00 C ATOM 460 CD LYS A 23 -17.673 -8.130 3.707 1.00 0.00 C ATOM 461 CE LYS A 23 -18.273 -7.404 4.915 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.746 -7.454 4.921 1.00 0.00 N ATOM 0 H LYS A 23 -15.590 -6.730 1.287 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.027 -9.418 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.705 -7.629 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.236 -9.125 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.638 -6.478 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.140 -7.381 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.006 -9.168 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.587 -8.143 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.892 -7.853 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.947 -6.364 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.100 -7.151 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.118 -6.820 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.061 -8.427 4.731 1.00 0.00 H new ATOM 476 N LYS A 24 -15.368 -8.882 -1.168 1.00 0.00 N ATOM 477 CA LYS A 24 -15.039 -9.588 -2.406 1.00 0.00 C ATOM 478 C LYS A 24 -13.862 -10.538 -2.181 1.00 0.00 C ATOM 479 O LYS A 24 -13.903 -11.661 -2.675 1.00 0.00 O ATOM 480 CB LYS A 24 -14.801 -8.605 -3.566 1.00 0.00 C ATOM 481 CG LYS A 24 -14.965 -9.307 -4.925 1.00 0.00 C ATOM 482 CD LYS A 24 -15.241 -8.310 -6.055 1.00 0.00 C ATOM 483 CE LYS A 24 -15.556 -9.020 -7.381 1.00 0.00 C ATOM 484 NZ LYS A 24 -14.351 -9.300 -8.190 1.00 0.00 N ATOM 0 H LYS A 24 -15.235 -7.871 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.893 -10.199 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.504 -7.775 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.799 -8.182 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.061 -9.872 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.783 -10.024 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.079 -7.670 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.375 -7.662 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.071 -9.957 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.241 -8.403 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.399 -8.765 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.503 -9.014 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.302 -10.318 -8.399 1.00 0.00 H new ATOM 498 N TYR A 25 -12.840 -10.142 -1.413 1.00 0.00 N ATOM 499 CA TYR A 25 -11.688 -10.998 -1.153 1.00 0.00 C ATOM 500 C TYR A 25 -11.295 -10.995 0.336 1.00 0.00 C ATOM 501 O TYR A 25 -10.483 -10.160 0.727 1.00 0.00 O ATOM 502 CB TYR A 25 -10.501 -10.615 -2.069 1.00 0.00 C ATOM 503 CG TYR A 25 -10.842 -10.132 -3.470 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.164 -11.042 -4.493 1.00 0.00 C ATOM 505 CD2 TYR A 25 -10.824 -8.752 -3.750 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.461 -10.576 -5.788 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.114 -8.279 -5.038 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.436 -9.191 -6.065 1.00 0.00 C ATOM 509 OH TYR A 25 -11.677 -8.744 -7.326 1.00 0.00 O ATOM 0 H TYR A 25 -12.792 -9.229 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.973 -12.022 -1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.926 -9.834 -1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.848 -11.483 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.183 -12.102 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.584 -8.051 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.708 -11.278 -6.570 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.091 -7.219 -5.243 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.622 -7.766 -7.342 1.00 0.00 H new ATOM 519 N PRO A 26 -11.799 -11.900 1.197 1.00 0.00 N ATOM 520 CA PRO A 26 -11.405 -11.944 2.619 1.00 0.00 C ATOM 521 C PRO A 26 -9.963 -12.488 2.782 1.00 0.00 C ATOM 522 O PRO A 26 -9.395 -12.541 3.875 1.00 0.00 O ATOM 523 CB PRO A 26 -12.443 -12.852 3.286 1.00 0.00 C ATOM 524 CG PRO A 26 -12.826 -13.811 2.170 1.00 0.00 C ATOM 525 CD PRO A 26 -12.769 -12.948 0.908 1.00 0.00 C ATOM 0 HA PRO A 26 -11.390 -10.955 3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.026 -13.378 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.303 -12.286 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.135 -14.652 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.821 -14.227 2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.464 -13.537 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.747 -12.525 0.677 1.00 0.00 H new ATOM 533 N ASP A 27 -9.357 -12.880 1.662 1.00 0.00 N ATOM 534 CA ASP A 27 -8.017 -13.421 1.491 1.00 0.00 C ATOM 535 C ASP A 27 -7.004 -12.339 1.110 1.00 0.00 C ATOM 536 O ASP A 27 -5.798 -12.592 1.117 1.00 0.00 O ATOM 537 CB ASP A 27 -8.051 -14.382 0.285 1.00 0.00 C ATOM 538 CG ASP A 27 -8.656 -15.754 0.552 1.00 0.00 C ATOM 539 OD1 ASP A 27 -9.796 -15.846 1.062 1.00 0.00 O ATOM 540 OD2 ASP A 27 -7.995 -16.754 0.181 1.00 0.00 O ATOM 0 H ASP A 27 -9.843 -12.819 0.767 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.728 -13.890 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.613 -13.907 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.032 -14.519 -0.076 1.00 0.00 H new ATOM 545 N ARG A 28 -7.473 -11.150 0.708 1.00 0.00 N ATOM 546 CA ARG A 28 -6.626 -10.051 0.257 1.00 0.00 C ATOM 547 C ARG A 28 -7.100 -8.728 0.829 1.00 0.00 C ATOM 548 O ARG A 28 -8.237 -8.618 1.294 1.00 0.00 O ATOM 549 CB ARG A 28 -6.577 -10.039 -1.286 1.00 0.00 C ATOM 550 CG ARG A 28 -6.269 -11.417 -1.904 1.00 0.00 C ATOM 551 CD ARG A 28 -6.119 -11.386 -3.422 1.00 0.00 C ATOM 552 NE ARG A 28 -6.043 -12.758 -3.954 1.00 0.00 N ATOM 553 CZ ARG A 28 -6.619 -13.212 -5.074 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.288 -12.407 -5.885 1.00 0.00 N ATOM 555 NH2 ARG A 28 -6.536 -14.484 -5.423 1.00 0.00 N ATOM 0 H ARG A 28 -8.468 -10.927 0.689 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.611 -10.200 0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.534 -9.684 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.819 -9.326 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.351 -11.806 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.067 -12.111 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.964 -10.862 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.221 -10.832 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.497 -13.429 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.374 -11.415 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.717 -12.779 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.025 -15.142 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.983 -14.808 -6.281 1.00 0.00 H new ATOM 569 N VAL A 29 -6.233 -7.720 0.819 1.00 0.00 N ATOM 570 CA VAL A 29 -6.549 -6.403 1.352 1.00 0.00 C ATOM 571 C VAL A 29 -5.996 -5.299 0.449 1.00 0.00 C ATOM 572 O VAL A 29 -4.934 -5.489 -0.159 1.00 0.00 O ATOM 573 CB VAL A 29 -5.983 -6.303 2.784 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.687 -7.303 3.704 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.470 -6.561 2.895 1.00 0.00 C ATOM 0 H VAL A 29 -5.289 -7.796 0.439 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.630 -6.268 1.385 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.165 -5.270 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.278 -7.222 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.755 -7.086 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.530 -8.315 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.161 -6.470 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.245 -7.565 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.931 -5.831 2.291 1.00 0.00 H new ATOM 585 N PRO A 30 -6.685 -4.148 0.329 1.00 0.00 N ATOM 586 CA PRO A 30 -6.222 -3.043 -0.479 1.00 0.00 C ATOM 587 C PRO A 30 -5.161 -2.287 0.320 1.00 0.00 C ATOM 588 O PRO A 30 -5.381 -1.855 1.461 1.00 0.00 O ATOM 589 CB PRO A 30 -7.469 -2.219 -0.782 1.00 0.00 C ATOM 590 CG PRO A 30 -8.330 -2.405 0.464 1.00 0.00 C ATOM 591 CD PRO A 30 -7.943 -3.799 0.963 1.00 0.00 C ATOM 0 HA PRO A 30 -5.750 -3.331 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.226 -1.170 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.977 -2.575 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.124 -1.640 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.393 -2.344 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.841 -3.805 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.715 -4.526 0.711 1.00 0.00 H new ATOM 599 N VAL A 31 -4.013 -2.115 -0.324 1.00 0.00 N ATOM 600 CA VAL A 31 -2.864 -1.453 0.237 1.00 0.00 C ATOM 601 C VAL A 31 -2.513 -0.291 -0.682 1.00 0.00 C ATOM 602 O VAL A 31 -2.431 -0.451 -1.900 1.00 0.00 O ATOM 603 CB VAL A 31 -1.732 -2.486 0.408 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.474 -1.843 0.992 1.00 0.00 C ATOM 605 CG2 VAL A 31 -2.152 -3.646 1.324 1.00 0.00 C ATOM 0 H VAL A 31 -3.862 -2.445 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.051 -1.041 1.229 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.520 -2.872 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.304 -2.598 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.125 -1.055 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.703 -1.417 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.327 -4.352 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.411 -3.257 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.016 -4.153 0.895 1.00 0.00 H new ATOM 615 N ILE A 32 -2.325 0.884 -0.100 1.00 0.00 N ATOM 616 CA ILE A 32 -1.968 2.107 -0.787 1.00 0.00 C ATOM 617 C ILE A 32 -0.449 2.201 -0.646 1.00 0.00 C ATOM 618 O ILE A 32 0.089 1.816 0.391 1.00 0.00 O ATOM 619 CB ILE A 32 -2.697 3.347 -0.217 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.186 3.079 0.104 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.604 4.465 -1.267 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.932 4.275 0.706 1.00 0.00 C ATOM 0 H ILE A 32 -2.422 1.012 0.907 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.276 2.087 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.217 3.622 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.693 2.774 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.250 2.241 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.110 5.356 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.557 4.696 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.080 4.137 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.968 3.998 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.455 4.569 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.904 5.111 0.007 1.00 0.00 H new ATOM 634 N VAL A 33 0.259 2.555 -1.722 1.00 0.00 N ATOM 635 CA VAL A 33 1.705 2.691 -1.712 1.00 0.00 C ATOM 636 C VAL A 33 2.026 4.158 -2.006 1.00 0.00 C ATOM 637 O VAL A 33 1.624 4.714 -3.039 1.00 0.00 O ATOM 638 CB VAL A 33 2.375 1.634 -2.623 1.00 0.00 C ATOM 639 CG1 VAL A 33 2.521 2.054 -4.088 1.00 0.00 C ATOM 640 CG2 VAL A 33 3.764 1.252 -2.093 1.00 0.00 C ATOM 0 H VAL A 33 -0.165 2.755 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 33 2.141 2.466 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 33 1.694 0.784 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.000 1.252 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.536 2.254 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.131 2.955 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.213 0.508 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.398 2.138 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.669 0.838 -1.089 1.00 0.00 H new ATOM 650 N GLU A 34 2.770 4.776 -1.094 1.00 0.00 N ATOM 651 CA GLU A 34 3.193 6.169 -1.155 1.00 0.00 C ATOM 652 C GLU A 34 4.709 6.266 -0.935 1.00 0.00 C ATOM 653 O GLU A 34 5.320 5.372 -0.348 1.00 0.00 O ATOM 654 CB GLU A 34 2.324 7.011 -0.200 1.00 0.00 C ATOM 655 CG GLU A 34 1.876 6.316 1.089 1.00 0.00 C ATOM 656 CD GLU A 34 0.541 5.560 0.953 1.00 0.00 C ATOM 657 OE1 GLU A 34 -0.391 6.111 0.319 1.00 0.00 O ATOM 658 OE2 GLU A 34 0.432 4.448 1.507 1.00 0.00 O ATOM 0 H GLU A 34 3.108 4.299 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 34 3.029 6.595 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.880 7.909 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.436 7.337 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.650 5.615 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.783 7.061 1.879 1.00 0.00 H new ATOM 665 N LYS A 35 5.338 7.343 -1.415 1.00 0.00 N ATOM 666 CA LYS A 35 6.787 7.560 -1.325 1.00 0.00 C ATOM 667 C LYS A 35 7.167 8.741 -0.432 1.00 0.00 C ATOM 668 O LYS A 35 6.566 9.806 -0.526 1.00 0.00 O ATOM 669 CB LYS A 35 7.272 7.699 -2.768 1.00 0.00 C ATOM 670 CG LYS A 35 8.786 7.828 -2.932 1.00 0.00 C ATOM 671 CD LYS A 35 9.263 9.284 -3.032 1.00 0.00 C ATOM 672 CE LYS A 35 9.246 9.869 -4.443 1.00 0.00 C ATOM 673 NZ LYS A 35 7.874 10.057 -4.955 1.00 0.00 N ATOM 0 H LYS A 35 4.846 8.103 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 35 7.280 6.722 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.933 6.831 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.798 8.574 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.278 7.349 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.095 7.289 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.635 9.902 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.278 9.347 -2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.766 10.827 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.795 9.209 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.900 10.650 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.461 9.132 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.293 10.522 -4.228 1.00 0.00 H new ATOM 687 N ALA A 36 8.216 8.608 0.375 1.00 0.00 N ATOM 688 CA ALA A 36 8.683 9.647 1.286 1.00 0.00 C ATOM 689 C ALA A 36 9.712 10.541 0.587 1.00 0.00 C ATOM 690 O ALA A 36 10.363 10.115 -0.366 1.00 0.00 O ATOM 691 CB ALA A 36 9.343 8.953 2.479 1.00 0.00 C ATOM 0 H ALA A 36 8.776 7.757 0.414 1.00 0.00 H new ATOM 0 HA ALA A 36 7.847 10.269 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.705 9.703 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.615 8.312 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.181 8.349 2.131 1.00 0.00 H new ATOM 697 N PRO A 37 9.847 11.801 1.030 1.00 0.00 N ATOM 698 CA PRO A 37 10.784 12.733 0.427 1.00 0.00 C ATOM 699 C PRO A 37 12.226 12.276 0.655 1.00 0.00 C ATOM 700 O PRO A 37 12.519 11.563 1.613 1.00 0.00 O ATOM 701 CB PRO A 37 10.468 14.089 1.061 1.00 0.00 C ATOM 702 CG PRO A 37 9.842 13.733 2.409 1.00 0.00 C ATOM 703 CD PRO A 37 9.145 12.408 2.150 1.00 0.00 C ATOM 0 HA PRO A 37 10.683 12.793 -0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.369 14.690 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.782 14.668 0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.598 13.641 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.138 14.498 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.186 11.767 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.092 12.560 1.915 1.00 0.00 H new ATOM 711 N LYS A 38 13.130 12.765 -0.197 1.00 0.00 N ATOM 712 CA LYS A 38 14.567 12.497 -0.241 1.00 0.00 C ATOM 713 C LYS A 38 14.883 11.092 -0.750 1.00 0.00 C ATOM 714 O LYS A 38 16.059 10.722 -0.773 1.00 0.00 O ATOM 715 CB LYS A 38 15.278 12.817 1.089 1.00 0.00 C ATOM 716 CG LYS A 38 15.105 14.263 1.574 1.00 0.00 C ATOM 717 CD LYS A 38 15.799 15.264 0.636 1.00 0.00 C ATOM 718 CE LYS A 38 15.721 16.693 1.179 1.00 0.00 C ATOM 719 NZ LYS A 38 16.667 16.927 2.291 1.00 0.00 N ATOM 0 H LYS A 38 12.851 13.412 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 38 14.979 13.190 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.902 12.142 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.342 12.610 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.043 14.501 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.515 14.361 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.843 14.979 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.334 15.223 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.931 17.397 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.706 16.894 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.576 17.908 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.452 16.275 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.639 16.763 1.960 1.00 0.00 H new ATOM 733 N ALA A 39 13.889 10.285 -1.133 1.00 0.00 N ATOM 734 CA ALA A 39 14.175 8.957 -1.645 1.00 0.00 C ATOM 735 C ALA A 39 14.711 9.101 -3.073 1.00 0.00 C ATOM 736 O ALA A 39 14.481 10.111 -3.744 1.00 0.00 O ATOM 737 CB ALA A 39 12.921 8.085 -1.606 1.00 0.00 C ATOM 0 H ALA A 39 12.899 10.529 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 39 14.924 8.466 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.155 7.094 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.569 7.999 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.143 8.540 -2.219 1.00 0.00 H new ATOM 743 N ARG A 40 15.382 8.072 -3.587 1.00 0.00 N ATOM 744 CA ARG A 40 15.948 8.072 -4.931 1.00 0.00 C ATOM 745 C ARG A 40 15.250 7.004 -5.739 1.00 0.00 C ATOM 746 O ARG A 40 15.854 6.026 -6.172 1.00 0.00 O ATOM 747 CB ARG A 40 17.462 7.887 -4.821 1.00 0.00 C ATOM 748 CG ARG A 40 18.251 7.940 -6.139 1.00 0.00 C ATOM 749 CD ARG A 40 17.760 9.097 -7.020 1.00 0.00 C ATOM 750 NE ARG A 40 18.685 9.418 -8.108 1.00 0.00 N ATOM 751 CZ ARG A 40 19.834 10.086 -7.996 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.273 10.486 -6.803 1.00 0.00 N ATOM 753 NH2 ARG A 40 20.526 10.359 -9.091 1.00 0.00 N ATOM 0 H ARG A 40 15.549 7.206 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 40 15.789 9.015 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.854 8.657 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 40 17.656 6.926 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.313 8.063 -5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.139 6.997 -6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.788 8.839 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.615 9.982 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 40 18.426 9.100 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.729 10.282 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.153 10.996 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.178 10.059 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 40 21.407 10.869 -9.024 1.00 0.00 H new ATOM 767 N VAL A 41 13.960 7.215 -5.950 1.00 0.00 N ATOM 768 CA VAL A 41 13.127 6.279 -6.685 1.00 0.00 C ATOM 769 C VAL A 41 12.234 6.968 -7.723 1.00 0.00 C ATOM 770 O VAL A 41 11.892 8.141 -7.542 1.00 0.00 O ATOM 771 CB VAL A 41 12.304 5.472 -5.658 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.224 4.651 -4.750 1.00 0.00 C ATOM 773 CG2 VAL A 41 11.422 6.370 -4.776 1.00 0.00 C ATOM 0 H VAL A 41 13.462 8.040 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 41 13.763 5.609 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 41 11.657 4.813 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.623 4.090 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 41 13.808 3.958 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.897 5.320 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.864 5.753 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.051 7.070 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.724 6.924 -5.404 1.00 0.00 H new ATOM 783 N PRO A 42 11.833 6.237 -8.779 1.00 0.00 N ATOM 784 CA PRO A 42 10.968 6.705 -9.851 1.00 0.00 C ATOM 785 C PRO A 42 9.527 6.857 -9.362 1.00 0.00 C ATOM 786 O PRO A 42 9.135 6.342 -8.308 1.00 0.00 O ATOM 787 CB PRO A 42 11.074 5.660 -10.964 1.00 0.00 C ATOM 788 CG PRO A 42 11.309 4.374 -10.180 1.00 0.00 C ATOM 789 CD PRO A 42 12.213 4.857 -9.055 1.00 0.00 C ATOM 0 HA PRO A 42 11.271 7.689 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.165 5.611 -11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.895 5.876 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.379 3.949 -9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.787 3.606 -10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 42 12.092 4.237 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 42 13.261 4.795 -9.347 1.00 0.00 H new ATOM 797 N ASP A 43 8.750 7.659 -10.085 1.00 0.00 N ATOM 798 CA ASP A 43 7.346 7.905 -9.771 1.00 0.00 C ATOM 799 C ASP A 43 6.479 6.806 -10.383 1.00 0.00 C ATOM 800 O ASP A 43 6.897 6.089 -11.301 1.00 0.00 O ATOM 801 CB ASP A 43 6.879 9.276 -10.282 1.00 0.00 C ATOM 802 CG ASP A 43 6.590 9.283 -11.782 1.00 0.00 C ATOM 803 OD1 ASP A 43 7.550 9.407 -12.585 1.00 0.00 O ATOM 804 OD2 ASP A 43 5.419 9.126 -12.179 1.00 0.00 O ATOM 0 H ASP A 43 9.079 8.160 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 43 7.243 7.900 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.980 9.572 -9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.644 10.021 -10.061 1.00 0.00 H new ATOM 809 N LEU A 44 5.292 6.634 -9.807 1.00 0.00 N ATOM 810 CA LEU A 44 4.287 5.673 -10.218 1.00 0.00 C ATOM 811 C LEU A 44 2.945 6.383 -10.235 1.00 0.00 C ATOM 812 O LEU A 44 2.630 7.152 -9.322 1.00 0.00 O ATOM 813 CB LEU A 44 4.181 4.474 -9.264 1.00 0.00 C ATOM 814 CG LEU A 44 5.294 3.427 -9.439 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.426 3.602 -8.417 1.00 0.00 C ATOM 816 CD2 LEU A 44 4.688 2.034 -9.274 1.00 0.00 C ATOM 0 H LEU A 44 4.997 7.190 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 44 4.572 5.289 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.199 4.839 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.216 3.990 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 44 5.723 3.558 -10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.187 2.839 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.872 4.590 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.025 3.501 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.467 1.282 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.248 1.944 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.915 1.882 -10.028 1.00 0.00 H new ATOM 828 N ASP A 45 2.136 6.074 -11.241 1.00 0.00 N ATOM 829 CA ASP A 45 0.794 6.635 -11.413 1.00 0.00 C ATOM 830 C ASP A 45 -0.214 5.830 -10.581 1.00 0.00 C ATOM 831 O ASP A 45 -1.338 6.260 -10.322 1.00 0.00 O ATOM 832 CB ASP A 45 0.368 6.521 -12.880 1.00 0.00 C ATOM 833 CG ASP A 45 1.370 7.121 -13.860 1.00 0.00 C ATOM 834 OD1 ASP A 45 1.659 8.334 -13.816 1.00 0.00 O ATOM 835 OD2 ASP A 45 1.906 6.347 -14.686 1.00 0.00 O ATOM 0 H ASP A 45 2.395 5.415 -11.975 1.00 0.00 H new ATOM 0 HA ASP A 45 0.814 7.678 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.220 5.469 -13.125 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.594 7.017 -13.009 1.00 0.00 H new ATOM 840 N LYS A 46 0.176 4.609 -10.213 1.00 0.00 N ATOM 841 CA LYS A 46 -0.588 3.647 -9.440 1.00 0.00 C ATOM 842 C LYS A 46 -0.343 3.883 -7.958 1.00 0.00 C ATOM 843 O LYS A 46 0.798 4.096 -7.539 1.00 0.00 O ATOM 844 CB LYS A 46 -0.146 2.239 -9.861 1.00 0.00 C ATOM 845 CG LYS A 46 -0.677 1.886 -11.263 1.00 0.00 C ATOM 846 CD LYS A 46 0.100 0.733 -11.922 1.00 0.00 C ATOM 847 CE LYS A 46 1.412 1.230 -12.547 1.00 0.00 C ATOM 848 NZ LYS A 46 1.192 1.933 -13.828 1.00 0.00 N ATOM 0 H LYS A 46 1.096 4.249 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.657 3.756 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.942 2.180 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.509 1.509 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.730 1.613 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.620 2.768 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.317 -0.034 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.518 0.267 -12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.913 1.900 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.078 0.383 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.110 2.175 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.662 1.316 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.649 2.804 -13.657 1.00 0.00 H new ATOM 862 N ARG A 47 -1.412 3.871 -7.162 1.00 0.00 N ATOM 863 CA ARG A 47 -1.335 4.064 -5.718 1.00 0.00 C ATOM 864 C ARG A 47 -2.023 2.928 -4.988 1.00 0.00 C ATOM 865 O ARG A 47 -1.483 2.502 -3.976 1.00 0.00 O ATOM 866 CB ARG A 47 -1.919 5.409 -5.255 1.00 0.00 C ATOM 867 CG ARG A 47 -1.190 6.652 -5.796 1.00 0.00 C ATOM 868 CD ARG A 47 -1.815 7.215 -7.075 1.00 0.00 C ATOM 869 NE ARG A 47 -3.166 7.738 -6.821 1.00 0.00 N ATOM 870 CZ ARG A 47 -3.891 8.485 -7.658 1.00 0.00 C ATOM 871 NH1 ARG A 47 -3.419 8.837 -8.851 1.00 0.00 N ATOM 872 NH2 ARG A 47 -5.094 8.890 -7.275 1.00 0.00 N ATOM 0 H ARG A 47 -2.361 3.726 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.274 4.073 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.965 5.458 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.901 5.441 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.190 7.427 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.148 6.397 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.183 8.010 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.861 6.435 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.589 7.509 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.488 8.536 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.988 9.408 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.451 8.630 -6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.663 9.461 -7.900 1.00 0.00 H new ATOM 886 N LYS A 48 -3.188 2.455 -5.440 1.00 0.00 N ATOM 887 CA LYS A 48 -3.910 1.377 -4.774 1.00 0.00 C ATOM 888 C LYS A 48 -3.554 0.046 -5.411 1.00 0.00 C ATOM 889 O LYS A 48 -3.658 -0.135 -6.625 1.00 0.00 O ATOM 890 CB LYS A 48 -5.426 1.611 -4.799 1.00 0.00 C ATOM 891 CG LYS A 48 -5.850 2.892 -4.056 1.00 0.00 C ATOM 892 CD LYS A 48 -6.091 4.087 -4.989 1.00 0.00 C ATOM 893 CE LYS A 48 -7.417 3.899 -5.733 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.816 5.110 -6.471 1.00 0.00 N ATOM 0 H LYS A 48 -3.653 2.810 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.607 1.360 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.762 1.670 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.928 0.754 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.761 2.691 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.079 3.155 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.114 5.012 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.272 4.175 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.327 3.065 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.198 3.636 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.718 4.938 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.928 5.901 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.084 5.347 -7.170 1.00 0.00 H new ATOM 908 N TYR A 49 -3.144 -0.886 -4.571 1.00 0.00 N ATOM 909 CA TYR A 49 -2.745 -2.243 -4.878 1.00 0.00 C ATOM 910 C TYR A 49 -3.590 -3.168 -4.011 1.00 0.00 C ATOM 911 O TYR A 49 -4.263 -2.713 -3.087 1.00 0.00 O ATOM 912 CB TYR A 49 -1.257 -2.410 -4.536 1.00 0.00 C ATOM 913 CG TYR A 49 -0.325 -1.680 -5.486 1.00 0.00 C ATOM 914 CD1 TYR A 49 -0.177 -0.284 -5.393 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.360 -2.388 -6.491 1.00 0.00 C ATOM 916 CE1 TYR A 49 0.588 0.417 -6.339 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.176 -1.695 -7.407 1.00 0.00 C ATOM 918 CZ TYR A 49 1.278 -0.290 -7.341 1.00 0.00 C ATOM 919 OH TYR A 49 2.065 0.372 -8.226 1.00 0.00 O ATOM 0 H TYR A 49 -3.077 -0.694 -3.571 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.891 -2.476 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.084 -2.048 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.009 -3.471 -4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.656 0.253 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.260 -3.461 -6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.647 1.495 -6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.724 -2.241 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 49 2.468 -0.269 -8.849 1.00 0.00 H new ATOM 929 N LEU A 50 -3.562 -4.467 -4.283 1.00 0.00 N ATOM 930 CA LEU A 50 -4.289 -5.470 -3.517 1.00 0.00 C ATOM 931 C LEU A 50 -3.316 -6.621 -3.344 1.00 0.00 C ATOM 932 O LEU A 50 -2.771 -7.062 -4.355 1.00 0.00 O ATOM 933 CB LEU A 50 -5.568 -5.928 -4.234 1.00 0.00 C ATOM 934 CG LEU A 50 -6.614 -6.382 -3.200 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.575 -5.234 -2.933 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.418 -7.597 -3.650 1.00 0.00 C ATOM 0 H LEU A 50 -3.024 -4.859 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.624 -5.069 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.969 -5.113 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.339 -6.747 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.069 -6.670 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.320 -5.546 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.021 -4.379 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.073 -4.953 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.137 -7.865 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.949 -7.361 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.744 -8.435 -3.824 1.00 0.00 H new ATOM 948 N VAL A 51 -3.080 -7.070 -2.112 1.00 0.00 N ATOM 949 CA VAL A 51 -2.154 -8.162 -1.803 1.00 0.00 C ATOM 950 C VAL A 51 -2.797 -9.135 -0.808 1.00 0.00 C ATOM 951 O VAL A 51 -3.669 -8.709 -0.044 1.00 0.00 O ATOM 952 CB VAL A 51 -0.819 -7.604 -1.259 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.057 -7.045 -2.386 1.00 0.00 C ATOM 954 CG2 VAL A 51 -1.000 -6.512 -0.195 1.00 0.00 C ATOM 0 H VAL A 51 -3.534 -6.680 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.936 -8.710 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.330 -8.457 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.987 -6.661 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.280 -7.837 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.473 -6.238 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.023 -6.167 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.553 -5.676 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.553 -6.918 0.652 1.00 0.00 H new ATOM 964 N PRO A 52 -2.394 -10.419 -0.800 1.00 0.00 N ATOM 965 CA PRO A 52 -2.944 -11.419 0.098 1.00 0.00 C ATOM 966 C PRO A 52 -2.361 -11.320 1.508 1.00 0.00 C ATOM 967 O PRO A 52 -1.244 -10.838 1.703 1.00 0.00 O ATOM 968 CB PRO A 52 -2.623 -12.756 -0.556 1.00 0.00 C ATOM 969 CG PRO A 52 -1.298 -12.494 -1.254 1.00 0.00 C ATOM 970 CD PRO A 52 -1.386 -11.023 -1.662 1.00 0.00 C ATOM 0 HA PRO A 52 -4.016 -11.281 0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.538 -13.554 0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.398 -13.055 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.453 -12.675 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.167 -13.142 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.423 -10.527 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.664 -10.927 -2.712 1.00 0.00 H new ATOM 978 N SER A 53 -3.096 -11.846 2.488 1.00 0.00 N ATOM 979 CA SER A 53 -2.719 -11.835 3.905 1.00 0.00 C ATOM 980 C SER A 53 -1.448 -12.629 4.248 1.00 0.00 C ATOM 981 O SER A 53 -0.872 -12.433 5.316 1.00 0.00 O ATOM 982 CB SER A 53 -3.881 -12.382 4.765 1.00 0.00 C ATOM 983 OG SER A 53 -5.075 -12.624 4.033 1.00 0.00 O ATOM 0 H SER A 53 -3.992 -12.303 2.316 1.00 0.00 H new ATOM 0 HA SER A 53 -2.502 -10.790 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.563 -13.310 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.094 -11.672 5.564 1.00 0.00 H new ATOM 0 HG SER A 53 -5.765 -12.969 4.637 1.00 0.00 H new ATOM 989 N ASP A 54 -1.005 -13.533 3.379 1.00 0.00 N ATOM 990 CA ASP A 54 0.166 -14.389 3.585 1.00 0.00 C ATOM 991 C ASP A 54 1.437 -13.883 2.907 1.00 0.00 C ATOM 992 O ASP A 54 2.492 -14.496 3.080 1.00 0.00 O ATOM 993 CB ASP A 54 -0.145 -15.801 3.073 1.00 0.00 C ATOM 994 CG ASP A 54 -0.091 -15.884 1.547 1.00 0.00 C ATOM 995 OD1 ASP A 54 -0.651 -14.993 0.873 1.00 0.00 O ATOM 996 OD2 ASP A 54 0.466 -16.870 1.016 1.00 0.00 O ATOM 0 H ASP A 54 -1.463 -13.697 2.483 1.00 0.00 H new ATOM 0 HA ASP A 54 0.364 -14.383 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.568 -16.506 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.135 -16.101 3.417 1.00 0.00 H new ATOM 1001 N LEU A 55 1.362 -12.798 2.133 1.00 0.00 N ATOM 1002 CA LEU A 55 2.528 -12.246 1.461 1.00 0.00 C ATOM 1003 C LEU A 55 3.486 -11.718 2.533 1.00 0.00 C ATOM 1004 O LEU A 55 3.120 -10.835 3.309 1.00 0.00 O ATOM 1005 CB LEU A 55 2.085 -11.167 0.458 1.00 0.00 C ATOM 1006 CG LEU A 55 3.241 -10.386 -0.197 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.163 -11.289 -1.020 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.663 -9.312 -1.127 1.00 0.00 C ATOM 0 H LEU A 55 0.498 -12.285 1.959 1.00 0.00 H new ATOM 0 HA LEU A 55 3.055 -13.004 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.493 -11.639 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.431 -10.461 0.969 1.00 0.00 H new ATOM 0 HG LEU A 55 3.828 -9.942 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.960 -10.690 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.597 -12.052 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.589 -11.769 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.478 -8.757 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.059 -9.787 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.041 -8.628 -0.550 1.00 0.00 H new ATOM 1020 N THR A 56 4.693 -12.271 2.608 1.00 0.00 N ATOM 1021 CA THR A 56 5.705 -11.854 3.571 1.00 0.00 C ATOM 1022 C THR A 56 6.147 -10.437 3.194 1.00 0.00 C ATOM 1023 O THR A 56 6.237 -10.124 2.001 1.00 0.00 O ATOM 1024 CB THR A 56 6.886 -12.838 3.552 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.436 -14.174 3.429 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.696 -12.744 4.848 1.00 0.00 C ATOM 0 H THR A 56 4.998 -13.028 1.996 1.00 0.00 H new ATOM 0 HA THR A 56 5.305 -11.853 4.585 1.00 0.00 H new ATOM 0 HB THR A 56 7.504 -12.569 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.207 -14.779 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.526 -13.450 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.085 -11.732 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.055 -12.983 5.696 1.00 0.00 H new ATOM 1034 N VAL A 57 6.472 -9.573 4.165 1.00 0.00 N ATOM 1035 CA VAL A 57 6.885 -8.220 3.830 1.00 0.00 C ATOM 1036 C VAL A 57 8.193 -8.274 3.030 1.00 0.00 C ATOM 1037 O VAL A 57 8.393 -7.461 2.133 1.00 0.00 O ATOM 1038 CB VAL A 57 6.859 -7.287 5.054 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.455 -7.213 5.668 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.858 -7.648 6.147 1.00 0.00 C ATOM 0 H VAL A 57 6.456 -9.787 5.162 1.00 0.00 H new ATOM 0 HA VAL A 57 6.160 -7.747 3.167 1.00 0.00 H new ATOM 0 HB VAL A 57 7.156 -6.315 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.470 -6.546 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.753 -6.832 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.143 -8.208 5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.770 -6.938 6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.650 -8.654 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.869 -7.610 5.742 1.00 0.00 H new ATOM 1050 N GLY A 58 9.075 -9.252 3.288 1.00 0.00 N ATOM 1051 CA GLY A 58 10.324 -9.408 2.546 1.00 0.00 C ATOM 1052 C GLY A 58 10.050 -9.583 1.051 1.00 0.00 C ATOM 1053 O GLY A 58 10.749 -8.993 0.223 1.00 0.00 O ATOM 0 H GLY A 58 8.938 -9.953 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.958 -8.535 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.871 -10.272 2.924 1.00 0.00 H new ATOM 1057 N GLN A 59 9.056 -10.403 0.696 1.00 0.00 N ATOM 1058 CA GLN A 59 8.667 -10.654 -0.687 1.00 0.00 C ATOM 1059 C GLN A 59 8.048 -9.383 -1.279 1.00 0.00 C ATOM 1060 O GLN A 59 8.448 -8.953 -2.359 1.00 0.00 O ATOM 1061 CB GLN A 59 7.690 -11.845 -0.755 1.00 0.00 C ATOM 1062 CG GLN A 59 8.387 -13.207 -0.931 1.00 0.00 C ATOM 1063 CD GLN A 59 8.869 -13.463 -2.364 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.110 -12.544 -3.141 1.00 0.00 O ATOM 1065 NE2 GLN A 59 8.976 -14.716 -2.781 1.00 0.00 N ATOM 0 H GLN A 59 8.493 -10.916 1.374 1.00 0.00 H new ATOM 0 HA GLN A 59 9.545 -10.915 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.094 -11.867 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.999 -11.690 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.239 -13.261 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.698 -14.000 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.777 -15.485 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.257 -14.911 -3.742 1.00 0.00 H new ATOM 1074 N PHE A 60 7.138 -8.725 -0.551 1.00 0.00 N ATOM 1075 CA PHE A 60 6.488 -7.502 -1.020 1.00 0.00 C ATOM 1076 C PHE A 60 7.535 -6.425 -1.322 1.00 0.00 C ATOM 1077 O PHE A 60 7.521 -5.818 -2.400 1.00 0.00 O ATOM 1078 CB PHE A 60 5.503 -7.020 0.064 1.00 0.00 C ATOM 1079 CG PHE A 60 4.948 -5.613 -0.096 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.545 -5.123 -1.353 1.00 0.00 C ATOM 1081 CD2 PHE A 60 4.838 -4.779 1.034 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.067 -3.808 -1.479 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.349 -3.467 0.910 1.00 0.00 C ATOM 1084 CZ PHE A 60 3.969 -2.976 -0.351 1.00 0.00 C ATOM 0 H PHE A 60 6.835 -9.026 0.375 1.00 0.00 H new ATOM 0 HA PHE A 60 5.942 -7.702 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.664 -7.715 0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.004 -7.081 1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.604 -5.760 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.132 -5.151 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.773 -3.434 -2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.265 -2.837 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.604 -1.965 -0.452 1.00 0.00 H new ATOM 1094 N TYR A 61 8.494 -6.222 -0.414 1.00 0.00 N ATOM 1095 CA TYR A 61 9.533 -5.222 -0.599 1.00 0.00 C ATOM 1096 C TYR A 61 10.385 -5.596 -1.810 1.00 0.00 C ATOM 1097 O TYR A 61 10.748 -4.706 -2.575 1.00 0.00 O ATOM 1098 CB TYR A 61 10.403 -5.054 0.661 1.00 0.00 C ATOM 1099 CG TYR A 61 9.719 -4.627 1.958 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.341 -4.330 2.027 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.492 -4.556 3.135 1.00 0.00 C ATOM 1102 CE1 TYR A 61 7.733 -4.059 3.263 1.00 0.00 C ATOM 1103 CE2 TYR A 61 9.891 -4.270 4.376 1.00 0.00 C ATOM 1104 CZ TYR A 61 8.500 -4.047 4.448 1.00 0.00 C ATOM 1105 OH TYR A 61 7.898 -3.842 5.651 1.00 0.00 O ATOM 0 H TYR A 61 8.567 -6.744 0.459 1.00 0.00 H new ATOM 0 HA TYR A 61 9.056 -4.258 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.907 -6.003 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.177 -4.321 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.750 -4.311 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.558 -4.723 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.673 -3.859 3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.494 -4.221 5.271 1.00 0.00 H new ATOM 0 HH TYR A 61 8.572 -3.866 6.362 1.00 0.00 H new ATOM 1115 N PHE A 62 10.693 -6.880 -2.017 1.00 0.00 N ATOM 1116 CA PHE A 62 11.495 -7.331 -3.148 1.00 0.00 C ATOM 1117 C PHE A 62 10.787 -7.080 -4.489 1.00 0.00 C ATOM 1118 O PHE A 62 11.422 -6.596 -5.429 1.00 0.00 O ATOM 1119 CB PHE A 62 11.863 -8.805 -2.945 1.00 0.00 C ATOM 1120 CG PHE A 62 12.819 -9.364 -3.979 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.072 -8.755 -4.191 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.478 -10.530 -4.690 1.00 0.00 C ATOM 1123 CE1 PHE A 62 14.974 -9.301 -5.118 1.00 0.00 C ATOM 1124 CE2 PHE A 62 13.387 -11.084 -5.605 1.00 0.00 C ATOM 1125 CZ PHE A 62 14.631 -10.466 -5.822 1.00 0.00 C ATOM 0 H PHE A 62 10.390 -7.634 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 62 12.415 -6.747 -3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.308 -8.922 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.949 -9.399 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.339 -7.866 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.518 -10.998 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.929 -8.826 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.131 -11.985 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.325 -10.889 -6.533 1.00 0.00 H new ATOM 1135 N LEU A 63 9.484 -7.348 -4.593 1.00 0.00 N ATOM 1136 CA LEU A 63 8.707 -7.134 -5.821 1.00 0.00 C ATOM 1137 C LEU A 63 8.736 -5.652 -6.198 1.00 0.00 C ATOM 1138 O LEU A 63 9.129 -5.285 -7.313 1.00 0.00 O ATOM 1139 CB LEU A 63 7.260 -7.633 -5.625 1.00 0.00 C ATOM 1140 CG LEU A 63 7.006 -9.050 -6.176 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.009 -10.094 -5.665 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.585 -9.490 -5.805 1.00 0.00 C ATOM 0 H LEU A 63 8.931 -7.723 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 63 9.151 -7.704 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.023 -7.620 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.577 -6.937 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 63 7.132 -8.995 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.770 -11.068 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.018 -9.805 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.952 -10.152 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.401 -10.492 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.477 -9.496 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.865 -8.796 -6.238 1.00 0.00 H new ATOM 1154 N ILE A 64 8.363 -4.784 -5.251 1.00 0.00 N ATOM 1155 CA ILE A 64 8.370 -3.349 -5.510 1.00 0.00 C ATOM 1156 C ILE A 64 9.812 -2.906 -5.813 1.00 0.00 C ATOM 1157 O ILE A 64 9.995 -2.132 -6.747 1.00 0.00 O ATOM 1158 CB ILE A 64 7.674 -2.571 -4.372 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.235 -3.052 -4.072 1.00 0.00 C ATOM 1160 CG2 ILE A 64 7.638 -1.075 -4.709 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.217 -2.886 -5.210 1.00 0.00 C ATOM 0 H ILE A 64 8.058 -5.049 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 64 7.777 -3.112 -6.393 1.00 0.00 H new ATOM 0 HB ILE A 64 8.265 -2.760 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.275 -4.106 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.867 -2.511 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.146 -0.532 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.656 -0.704 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.087 -0.924 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.245 -3.257 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.134 -1.831 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.549 -3.452 -6.080 1.00 0.00 H new ATOM 1173 N ARG A 65 10.840 -3.430 -5.123 1.00 0.00 N ATOM 1174 CA ARG A 65 12.251 -3.081 -5.349 1.00 0.00 C ATOM 1175 C ARG A 65 12.603 -3.296 -6.818 1.00 0.00 C ATOM 1176 O ARG A 65 13.252 -2.440 -7.421 1.00 0.00 O ATOM 1177 CB ARG A 65 13.169 -3.913 -4.435 1.00 0.00 C ATOM 1178 CG ARG A 65 14.672 -3.644 -4.607 1.00 0.00 C ATOM 1179 CD ARG A 65 15.464 -4.941 -4.388 1.00 0.00 C ATOM 1180 NE ARG A 65 16.915 -4.730 -4.457 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.678 -4.062 -3.587 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.171 -3.642 -2.434 1.00 0.00 N ATOM 1183 NH2 ARG A 65 18.940 -3.798 -3.897 1.00 0.00 N ATOM 0 H ARG A 65 10.710 -4.118 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 65 12.402 -2.030 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.897 -3.719 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.981 -4.970 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.868 -3.252 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.998 -2.884 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.207 -5.361 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.170 -5.674 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 65 17.395 -5.139 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.194 -3.829 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.759 -3.133 -1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.320 -4.104 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.531 -3.289 -3.240 1.00 0.00 H new ATOM 1197 N LYS A 66 12.201 -4.433 -7.394 1.00 0.00 N ATOM 1198 CA LYS A 66 12.470 -4.723 -8.799 1.00 0.00 C ATOM 1199 C LYS A 66 11.803 -3.649 -9.652 1.00 0.00 C ATOM 1200 O LYS A 66 12.462 -3.029 -10.485 1.00 0.00 O ATOM 1201 CB LYS A 66 11.899 -6.099 -9.184 1.00 0.00 C ATOM 1202 CG LYS A 66 12.606 -7.304 -8.550 1.00 0.00 C ATOM 1203 CD LYS A 66 13.806 -7.766 -9.389 1.00 0.00 C ATOM 1204 CE LYS A 66 14.330 -9.134 -8.934 1.00 0.00 C ATOM 1205 NZ LYS A 66 13.337 -10.218 -9.129 1.00 0.00 N ATOM 0 H LYS A 66 11.688 -5.166 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 66 13.547 -4.732 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.846 -6.128 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.944 -6.202 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.943 -7.042 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.898 -8.126 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.516 -7.819 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.605 -7.029 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.238 -9.374 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.604 -9.082 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.760 -10.978 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.052 -10.598 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.502 -9.840 -9.620 1.00 0.00 H new ATOM 1219 N ARG A 67 10.515 -3.370 -9.411 1.00 0.00 N ATOM 1220 CA ARG A 67 9.796 -2.369 -10.202 1.00 0.00 C ATOM 1221 C ARG A 67 10.350 -0.948 -10.057 1.00 0.00 C ATOM 1222 O ARG A 67 10.355 -0.222 -11.049 1.00 0.00 O ATOM 1223 CB ARG A 67 8.280 -2.457 -9.952 1.00 0.00 C ATOM 1224 CG ARG A 67 7.608 -3.473 -10.892 1.00 0.00 C ATOM 1225 CD ARG A 67 7.735 -4.945 -10.448 1.00 0.00 C ATOM 1226 NE ARG A 67 7.538 -5.894 -11.560 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.444 -6.036 -12.323 1.00 0.00 C ATOM 1228 NH1 ARG A 67 5.340 -5.342 -12.084 1.00 0.00 N ATOM 1229 NH2 ARG A 67 6.447 -6.882 -13.342 1.00 0.00 N ATOM 0 H ARG A 67 9.958 -3.818 -8.684 1.00 0.00 H new ATOM 0 HA ARG A 67 9.970 -2.614 -11.250 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.098 -2.743 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.830 -1.475 -10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.550 -3.224 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.042 -3.369 -11.887 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.720 -5.104 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.002 -5.149 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 67 8.322 -6.511 -11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.310 -4.683 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.520 -5.467 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.283 -7.428 -13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.613 -6.987 -13.920 1.00 0.00 H new ATOM 1243 N ILE A 68 10.854 -0.526 -8.891 1.00 0.00 N ATOM 1244 CA ILE A 68 11.410 0.826 -8.735 1.00 0.00 C ATOM 1245 C ILE A 68 12.845 0.911 -9.288 1.00 0.00 C ATOM 1246 O ILE A 68 13.456 1.981 -9.253 1.00 0.00 O ATOM 1247 CB ILE A 68 11.293 1.342 -7.285 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.032 0.457 -6.269 1.00 0.00 C ATOM 1249 CG2 ILE A 68 9.811 1.510 -6.897 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.570 1.256 -5.089 1.00 0.00 C ATOM 0 H ILE A 68 10.889 -1.096 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 68 10.802 1.500 -9.338 1.00 0.00 H new ATOM 0 HB ILE A 68 11.784 2.314 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.355 -0.315 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.857 -0.052 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.742 1.874 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.338 2.226 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.303 0.549 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.084 0.586 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.269 2.011 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.743 1.744 -4.573 1.00 0.00 H new ATOM 1262 N HIS A 69 13.394 -0.213 -9.769 1.00 0.00 N ATOM 1263 CA HIS A 69 14.708 -0.400 -10.374 1.00 0.00 C ATOM 1264 C HIS A 69 15.879 0.364 -9.729 1.00 0.00 C ATOM 1265 O HIS A 69 16.826 0.719 -10.433 1.00 0.00 O ATOM 1266 CB HIS A 69 14.575 -0.176 -11.893 1.00 0.00 C ATOM 1267 CG HIS A 69 13.978 1.133 -12.341 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.546 2.378 -12.201 1.00 0.00 N ATOM 1269 CD2 HIS A 69 12.783 1.288 -12.988 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.719 3.268 -12.767 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.647 2.649 -13.295 1.00 0.00 N ATOM 0 H HIS A 69 12.877 -1.092 -9.739 1.00 0.00 H new ATOM 0 HA HIS A 69 15.011 -1.427 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.566 -0.266 -12.337 1.00 0.00 H new ATOM 0 HB3 HIS A 69 13.968 -0.983 -12.303 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.075 0.506 -13.220 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.889 4.334 -12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.886 3.084 -13.816 1.00 0.00 H new ATOM 1279 N LEU A 70 15.855 0.550 -8.402 1.00 0.00 N ATOM 1280 CA LEU A 70 16.887 1.263 -7.640 1.00 0.00 C ATOM 1281 C LEU A 70 18.306 0.711 -7.825 1.00 0.00 C ATOM 1282 O LEU A 70 18.490 -0.420 -8.300 1.00 0.00 O ATOM 1283 CB LEU A 70 16.496 1.457 -6.160 1.00 0.00 C ATOM 1284 CG LEU A 70 16.064 0.223 -5.346 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.105 -0.896 -5.297 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.792 0.648 -3.901 1.00 0.00 C ATOM 0 H LEU A 70 15.098 0.200 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 70 16.930 2.259 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.346 1.910 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.681 2.180 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 70 15.181 -0.168 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.720 -1.726 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.317 -1.241 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.022 -0.520 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.485 -0.220 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.698 1.073 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.998 1.395 -3.885 1.00 0.00 H new ATOM 1298 N ARG A 71 19.321 1.548 -7.577 1.00 0.00 N ATOM 1299 CA ARG A 71 20.725 1.161 -7.707 1.00 0.00 C ATOM 1300 C ARG A 71 21.071 0.112 -6.658 1.00 0.00 C ATOM 1301 O ARG A 71 20.409 0.021 -5.625 1.00 0.00 O ATOM 1302 CB ARG A 71 21.651 2.383 -7.540 1.00 0.00 C ATOM 1303 CG ARG A 71 21.476 3.491 -8.588 1.00 0.00 C ATOM 1304 CD ARG A 71 21.917 2.976 -9.965 1.00 0.00 C ATOM 1305 NE ARG A 71 21.620 3.918 -11.052 1.00 0.00 N ATOM 1306 CZ ARG A 71 20.887 3.688 -12.150 1.00 0.00 C ATOM 1307 NH1 ARG A 71 20.191 2.563 -12.280 1.00 0.00 N ATOM 1308 NH2 ARG A 71 20.866 4.597 -13.121 1.00 0.00 N ATOM 0 H ARG A 71 19.188 2.515 -7.280 1.00 0.00 H new ATOM 0 HA ARG A 71 20.874 0.746 -8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.484 2.812 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 71 22.685 2.040 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.434 3.809 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.066 4.364 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 71 22.989 2.777 -9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.420 2.027 -10.168 1.00 0.00 H new ATOM 0 HE ARG A 71 22.017 4.853 -10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.211 1.862 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.637 2.400 -13.121 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.404 5.458 -13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.312 4.433 -13.961 1.00 0.00 H new ATOM 1322 N PRO A 72 22.129 -0.681 -6.878 1.00 0.00 N ATOM 1323 CA PRO A 72 22.526 -1.694 -5.918 1.00 0.00 C ATOM 1324 C PRO A 72 23.053 -1.029 -4.641 1.00 0.00 C ATOM 1325 O PRO A 72 22.956 -1.617 -3.562 1.00 0.00 O ATOM 1326 CB PRO A 72 23.579 -2.538 -6.643 1.00 0.00 C ATOM 1327 CG PRO A 72 24.158 -1.604 -7.699 1.00 0.00 C ATOM 1328 CD PRO A 72 22.996 -0.680 -8.043 1.00 0.00 C ATOM 0 HA PRO A 72 21.701 -2.326 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.350 -2.886 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.134 -3.423 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.012 -1.047 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.504 -2.155 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.350 0.327 -8.266 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.464 -1.033 -8.926 1.00 0.00 H new ATOM 1336 N GLU A 73 23.588 0.183 -4.765 1.00 0.00 N ATOM 1337 CA GLU A 73 24.144 1.002 -3.700 1.00 0.00 C ATOM 1338 C GLU A 73 23.074 1.803 -2.937 1.00 0.00 C ATOM 1339 O GLU A 73 23.406 2.494 -1.977 1.00 0.00 O ATOM 1340 CB GLU A 73 25.135 1.975 -4.368 1.00 0.00 C ATOM 1341 CG GLU A 73 26.388 2.238 -3.523 1.00 0.00 C ATOM 1342 CD GLU A 73 27.352 1.047 -3.453 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.330 0.173 -4.352 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.190 1.046 -2.526 1.00 0.00 O ATOM 0 H GLU A 73 23.647 0.646 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 73 24.621 0.355 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.435 1.571 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.630 2.921 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.917 3.098 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.082 2.505 -2.511 1.00 0.00 H new ATOM 1351 N ASP A 74 21.813 1.789 -3.374 1.00 0.00 N ATOM 1352 CA ASP A 74 20.730 2.539 -2.726 1.00 0.00 C ATOM 1353 C ASP A 74 20.189 1.763 -1.536 1.00 0.00 C ATOM 1354 O ASP A 74 20.382 0.544 -1.435 1.00 0.00 O ATOM 1355 CB ASP A 74 19.602 2.846 -3.726 1.00 0.00 C ATOM 1356 CG ASP A 74 19.972 3.923 -4.750 1.00 0.00 C ATOM 1357 OD1 ASP A 74 20.956 4.673 -4.523 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.330 3.939 -5.829 1.00 0.00 O ATOM 0 H ASP A 74 21.511 1.256 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 74 21.135 3.486 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.335 1.930 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.717 3.167 -3.177 1.00 0.00 H new ATOM 1363 N ALA A 75 19.576 2.464 -0.583 1.00 0.00 N ATOM 1364 CA ALA A 75 18.981 1.865 0.604 1.00 0.00 C ATOM 1365 C ALA A 75 17.466 1.759 0.373 1.00 0.00 C ATOM 1366 O ALA A 75 16.947 2.248 -0.641 1.00 0.00 O ATOM 1367 CB ALA A 75 19.369 2.686 1.837 1.00 0.00 C ATOM 0 H ALA A 75 19.479 3.479 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 75 19.353 0.857 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.925 2.239 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.454 2.697 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.005 3.707 1.723 1.00 0.00 H new ATOM 1373 N LEU A 76 16.743 1.077 1.269 1.00 0.00 N ATOM 1374 CA LEU A 76 15.302 0.919 1.129 1.00 0.00 C ATOM 1375 C LEU A 76 14.654 0.648 2.485 1.00 0.00 C ATOM 1376 O LEU A 76 14.959 -0.371 3.110 1.00 0.00 O ATOM 1377 CB LEU A 76 15.081 -0.278 0.187 1.00 0.00 C ATOM 1378 CG LEU A 76 13.625 -0.547 -0.197 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.042 0.632 -0.982 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.592 -1.824 -1.048 1.00 0.00 C ATOM 0 H LEU A 76 17.137 0.628 2.096 1.00 0.00 H new ATOM 0 HA LEU A 76 14.850 1.827 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.655 -0.113 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.486 -1.172 0.661 1.00 0.00 H new ATOM 0 HG LEU A 76 13.020 -0.672 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.006 0.418 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.083 1.533 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.622 0.786 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.564 -2.042 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.198 -1.681 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.990 -2.657 -0.469 1.00 0.00 H new ATOM 1392 N PHE A 77 13.690 1.472 2.900 1.00 0.00 N ATOM 1393 CA PHE A 77 12.982 1.320 4.168 1.00 0.00 C ATOM 1394 C PHE A 77 11.490 1.564 3.967 1.00 0.00 C ATOM 1395 O PHE A 77 11.086 2.534 3.324 1.00 0.00 O ATOM 1396 CB PHE A 77 13.570 2.251 5.233 1.00 0.00 C ATOM 1397 CG PHE A 77 14.988 1.885 5.621 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.232 0.773 6.452 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.070 2.612 5.093 1.00 0.00 C ATOM 1400 CE1 PHE A 77 16.552 0.380 6.735 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.387 2.220 5.378 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.629 1.095 6.186 1.00 0.00 C ATOM 0 H PHE A 77 13.376 2.275 2.355 1.00 0.00 H new ATOM 0 HA PHE A 77 13.110 0.298 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.554 3.275 4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 77 12.938 2.224 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.404 0.222 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.887 3.473 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.738 -0.471 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.216 2.783 4.976 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.643 0.781 6.384 1.00 0.00 H new ATOM 1412 N PHE A 78 10.673 0.678 4.533 1.00 0.00 N ATOM 1413 CA PHE A 78 9.217 0.682 4.479 1.00 0.00 C ATOM 1414 C PHE A 78 8.666 0.893 5.894 1.00 0.00 C ATOM 1415 O PHE A 78 9.160 0.265 6.836 1.00 0.00 O ATOM 1416 CB PHE A 78 8.755 -0.679 3.916 1.00 0.00 C ATOM 1417 CG PHE A 78 8.612 -0.773 2.405 1.00 0.00 C ATOM 1418 CD1 PHE A 78 9.692 -0.465 1.558 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.386 -1.174 1.836 1.00 0.00 C ATOM 1420 CE1 PHE A 78 9.524 -0.498 0.166 1.00 0.00 C ATOM 1421 CE2 PHE A 78 7.224 -1.228 0.441 1.00 0.00 C ATOM 1422 CZ PHE A 78 8.288 -0.867 -0.398 1.00 0.00 C ATOM 0 H PHE A 78 11.034 -0.108 5.073 1.00 0.00 H new ATOM 0 HA PHE A 78 8.851 1.485 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.464 -1.441 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.794 -0.926 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.651 -0.203 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.562 -1.443 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 78 10.350 -0.238 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.283 -1.546 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.160 -0.872 -1.470 1.00 0.00 H new ATOM 1432 N PHE A 79 7.643 1.736 6.060 1.00 0.00 N ATOM 1433 CA PHE A 79 6.979 2.051 7.328 1.00 0.00 C ATOM 1434 C PHE A 79 5.466 1.992 7.091 1.00 0.00 C ATOM 1435 O PHE A 79 4.957 2.586 6.131 1.00 0.00 O ATOM 1436 CB PHE A 79 7.393 3.445 7.847 1.00 0.00 C ATOM 1437 CG PHE A 79 8.874 3.795 7.771 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.860 2.893 8.210 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.270 5.038 7.243 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.223 3.195 8.042 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.630 5.340 7.064 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.607 4.409 7.447 1.00 0.00 C ATOM 0 H PHE A 79 7.235 2.243 5.274 1.00 0.00 H new ATOM 0 HA PHE A 79 7.275 1.329 8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.837 4.195 7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.077 3.528 8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.569 1.964 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.521 5.767 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.976 2.493 8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.923 6.286 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.653 4.625 7.285 1.00 0.00 H new ATOM 1452 N VAL A 80 4.733 1.319 7.971 1.00 0.00 N ATOM 1453 CA VAL A 80 3.281 1.126 7.950 1.00 0.00 C ATOM 1454 C VAL A 80 2.763 1.607 9.300 1.00 0.00 C ATOM 1455 O VAL A 80 3.449 1.361 10.282 1.00 0.00 O ATOM 1456 CB VAL A 80 2.969 -0.368 7.713 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.740 -1.350 8.609 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.475 -0.639 7.873 1.00 0.00 C ATOM 0 H VAL A 80 5.164 0.861 8.774 1.00 0.00 H new ATOM 0 HA VAL A 80 2.798 1.684 7.148 1.00 0.00 H new ATOM 0 HB VAL A 80 3.303 -0.551 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.449 -2.371 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.811 -1.228 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.508 -1.148 9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.277 -1.697 7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.162 -0.370 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.918 -0.044 7.150 1.00 0.00 H new ATOM 1468 N ASN A 81 1.617 2.304 9.383 1.00 0.00 N ATOM 1469 CA ASN A 81 1.065 2.809 10.658 1.00 0.00 C ATOM 1470 C ASN A 81 2.122 3.599 11.453 1.00 0.00 C ATOM 1471 O ASN A 81 2.078 3.704 12.676 1.00 0.00 O ATOM 1472 CB ASN A 81 0.449 1.636 11.444 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.554 2.072 12.508 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.297 2.038 13.711 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.769 2.418 12.111 1.00 0.00 N ATOM 0 H ASN A 81 1.045 2.535 8.570 1.00 0.00 H new ATOM 0 HA ASN A 81 0.266 3.524 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.046 0.962 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.249 1.070 11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.483 2.654 12.800 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.991 2.449 11.116 1.00 0.00 H new ATOM 1482 N ASN A 82 3.105 4.182 10.743 1.00 0.00 N ATOM 1483 CA ASN A 82 4.234 4.944 11.281 1.00 0.00 C ATOM 1484 C ASN A 82 5.108 4.070 12.212 1.00 0.00 C ATOM 1485 O ASN A 82 5.863 4.604 13.031 1.00 0.00 O ATOM 1486 CB ASN A 82 3.741 6.260 11.924 1.00 0.00 C ATOM 1487 CG ASN A 82 3.144 7.230 10.915 1.00 0.00 C ATOM 1488 OD1 ASN A 82 1.990 7.624 11.035 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.889 7.645 9.907 1.00 0.00 N ATOM 0 H ASN A 82 3.129 4.128 9.725 1.00 0.00 H new ATOM 0 HA ASN A 82 4.893 5.237 10.464 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.994 6.029 12.683 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.575 6.743 12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.505 8.297 9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.849 7.314 9.812 1.00 0.00 H new ATOM 1496 N THR A 83 5.003 2.744 12.072 1.00 0.00 N ATOM 1497 CA THR A 83 5.621 1.611 12.752 1.00 0.00 C ATOM 1498 C THR A 83 6.589 0.884 11.808 1.00 0.00 C ATOM 1499 O THR A 83 6.493 1.001 10.579 1.00 0.00 O ATOM 1500 CB THR A 83 4.530 0.620 13.231 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.329 1.247 13.613 1.00 0.00 O ATOM 1502 CG2 THR A 83 4.978 -0.211 14.432 1.00 0.00 C ATOM 0 H THR A 83 4.372 2.390 11.353 1.00 0.00 H new ATOM 0 HA THR A 83 6.175 1.986 13.613 1.00 0.00 H new ATOM 0 HB THR A 83 4.362 -0.011 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.684 0.569 13.902 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.176 -0.888 14.726 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.862 -0.790 14.164 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.217 0.451 15.264 1.00 0.00 H new ATOM 1510 N ILE A 84 7.571 0.183 12.386 1.00 0.00 N ATOM 1511 CA ILE A 84 8.587 -0.569 11.662 1.00 0.00 C ATOM 1512 C ILE A 84 8.445 -2.064 12.012 1.00 0.00 C ATOM 1513 O ILE A 84 9.037 -2.512 12.993 1.00 0.00 O ATOM 1514 CB ILE A 84 9.994 -0.002 11.962 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.010 1.539 11.835 1.00 0.00 C ATOM 1516 CG2 ILE A 84 10.991 -0.659 10.992 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.385 2.174 12.021 1.00 0.00 C ATOM 0 H ILE A 84 7.679 0.125 13.399 1.00 0.00 H new ATOM 0 HA ILE A 84 8.446 -0.467 10.586 1.00 0.00 H new ATOM 0 HB ILE A 84 10.279 -0.232 12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.626 1.814 10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.327 1.959 12.573 1.00 0.00 H new ATOM 0 HG21 ILE A 84 11.993 -0.275 11.184 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.983 -1.739 11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.705 -0.429 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.303 3.256 11.916 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.765 1.934 13.014 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.070 1.787 11.267 1.00 0.00 H new ATOM 1529 N PRO A 85 7.653 -2.847 11.260 1.00 0.00 N ATOM 1530 CA PRO A 85 7.487 -4.272 11.522 1.00 0.00 C ATOM 1531 C PRO A 85 8.740 -5.049 11.072 1.00 0.00 C ATOM 1532 O PRO A 85 9.520 -4.554 10.244 1.00 0.00 O ATOM 1533 CB PRO A 85 6.262 -4.679 10.696 1.00 0.00 C ATOM 1534 CG PRO A 85 6.357 -3.759 9.483 1.00 0.00 C ATOM 1535 CD PRO A 85 6.887 -2.458 10.089 1.00 0.00 C ATOM 0 HA PRO A 85 7.353 -4.490 12.582 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.297 -5.730 10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.334 -4.529 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.031 -4.157 8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.388 -3.618 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.511 -1.920 9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.068 -1.792 10.361 1.00 0.00 H new ATOM 1543 N PRO A 86 8.939 -6.288 11.557 1.00 0.00 N ATOM 1544 CA PRO A 86 10.084 -7.099 11.174 1.00 0.00 C ATOM 1545 C PRO A 86 9.920 -7.599 9.742 1.00 0.00 C ATOM 1546 O PRO A 86 8.805 -7.765 9.248 1.00 0.00 O ATOM 1547 CB PRO A 86 10.107 -8.276 12.153 1.00 0.00 C ATOM 1548 CG PRO A 86 8.641 -8.430 12.539 1.00 0.00 C ATOM 1549 CD PRO A 86 8.119 -6.992 12.527 1.00 0.00 C ATOM 0 HA PRO A 86 11.013 -6.530 11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.499 -9.180 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.733 -8.067 13.021 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.103 -9.059 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.530 -8.890 13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.066 -6.959 12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.201 -6.537 13.514 1.00 0.00 H new ATOM 1557 N THR A 87 11.034 -7.936 9.098 1.00 0.00 N ATOM 1558 CA THR A 87 11.044 -8.437 7.725 1.00 0.00 C ATOM 1559 C THR A 87 10.289 -9.766 7.567 1.00 0.00 C ATOM 1560 O THR A 87 9.817 -10.076 6.471 1.00 0.00 O ATOM 1561 CB THR A 87 12.501 -8.512 7.241 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.275 -9.334 8.093 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.187 -7.138 7.256 1.00 0.00 C ATOM 0 H THR A 87 11.962 -7.869 9.516 1.00 0.00 H new ATOM 0 HA THR A 87 10.496 -7.741 7.089 1.00 0.00 H new ATOM 0 HB THR A 87 12.451 -8.908 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.198 -9.368 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.214 -7.240 6.906 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.647 -6.455 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.187 -6.743 8.272 1.00 0.00 H new ATOM 1571 N SER A 88 10.138 -10.518 8.660 1.00 0.00 N ATOM 1572 CA SER A 88 9.436 -11.789 8.698 1.00 0.00 C ATOM 1573 C SER A 88 7.919 -11.601 8.830 1.00 0.00 C ATOM 1574 O SER A 88 7.193 -12.591 8.739 1.00 0.00 O ATOM 1575 CB SER A 88 9.982 -12.624 9.859 1.00 0.00 C ATOM 1576 OG SER A 88 11.394 -12.699 9.775 1.00 0.00 O ATOM 0 H SER A 88 10.515 -10.245 9.567 1.00 0.00 H new ATOM 0 HA SER A 88 9.607 -12.310 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.688 -12.178 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.553 -13.626 9.831 1.00 0.00 H new ATOM 0 HG SER A 88 11.738 -13.233 10.521 1.00 0.00 H new ATOM 1582 N ALA A 89 7.416 -10.383 9.079 1.00 0.00 N ATOM 1583 CA ALA A 89 5.977 -10.158 9.187 1.00 0.00 C ATOM 1584 C ALA A 89 5.305 -10.420 7.830 1.00 0.00 C ATOM 1585 O ALA A 89 5.966 -10.578 6.797 1.00 0.00 O ATOM 1586 CB ALA A 89 5.699 -8.724 9.660 1.00 0.00 C ATOM 0 H ALA A 89 7.985 -9.546 9.208 1.00 0.00 H new ATOM 0 HA ALA A 89 5.562 -10.848 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.623 -8.568 9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.159 -8.567 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.118 -8.017 8.944 1.00 0.00 H new ATOM 1592 N THR A 90 3.977 -10.422 7.810 1.00 0.00 N ATOM 1593 CA THR A 90 3.175 -10.641 6.616 1.00 0.00 C ATOM 1594 C THR A 90 2.234 -9.458 6.430 1.00 0.00 C ATOM 1595 O THR A 90 1.987 -8.693 7.370 1.00 0.00 O ATOM 1596 CB THR A 90 2.370 -11.947 6.770 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.590 -11.875 7.952 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.268 -13.186 6.828 1.00 0.00 C ATOM 0 H THR A 90 3.415 -10.267 8.647 1.00 0.00 H new ATOM 0 HA THR A 90 3.820 -10.729 5.742 1.00 0.00 H new ATOM 0 HB THR A 90 1.734 -12.048 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.074 -12.702 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.651 -14.078 6.937 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.850 -13.257 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.944 -13.106 7.680 1.00 0.00 H new ATOM 1606 N MET A 91 1.667 -9.329 5.229 1.00 0.00 N ATOM 1607 CA MET A 91 0.718 -8.267 4.931 1.00 0.00 C ATOM 1608 C MET A 91 -0.512 -8.441 5.836 1.00 0.00 C ATOM 1609 O MET A 91 -1.175 -7.454 6.153 1.00 0.00 O ATOM 1610 CB MET A 91 0.333 -8.293 3.443 1.00 0.00 C ATOM 1611 CG MET A 91 1.504 -7.969 2.500 1.00 0.00 C ATOM 1612 SD MET A 91 2.583 -6.570 2.931 1.00 0.00 S ATOM 1613 CE MET A 91 1.502 -5.148 2.639 1.00 0.00 C ATOM 0 H MET A 91 1.854 -9.954 4.445 1.00 0.00 H new ATOM 0 HA MET A 91 1.169 -7.294 5.128 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.061 -9.279 3.195 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.470 -7.577 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.127 -8.860 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.092 -7.781 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.940 -4.259 3.092 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.390 -4.991 1.566 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.524 -5.337 3.082 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.815 -9.682 6.244 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.914 -10.034 7.122 1.00 0.00 C ATOM 1625 C GLY A 92 -1.632 -9.574 8.548 1.00 0.00 C ATOM 1626 O GLY A 92 -2.524 -9.012 9.167 1.00 0.00 O ATOM 0 H GLY A 92 -0.271 -10.494 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.835 -9.576 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.068 -11.113 7.106 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.414 -9.784 9.071 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.047 -9.386 10.432 1.00 0.00 C ATOM 1632 C GLN A 93 -0.232 -7.879 10.613 1.00 0.00 C ATOM 1633 O GLN A 93 -0.943 -7.459 11.523 1.00 0.00 O ATOM 1634 CB GLN A 93 1.417 -9.786 10.712 1.00 0.00 C ATOM 1635 CG GLN A 93 1.571 -11.200 11.297 1.00 0.00 C ATOM 1636 CD GLN A 93 1.488 -11.161 12.823 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.486 -10.910 13.493 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.316 -11.361 13.398 1.00 0.00 N ATOM 0 H GLN A 93 0.343 -10.236 8.558 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.697 -9.898 11.141 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.985 -9.722 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.855 -9.067 11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.791 -11.850 10.901 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.527 -11.625 10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.503 -11.569 12.827 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.230 -11.308 14.413 1.00 0.00 H new ATOM 1647 N LEU A 94 0.342 -7.069 9.719 1.00 0.00 N ATOM 1648 CA LEU A 94 0.212 -5.616 9.812 1.00 0.00 C ATOM 1649 C LEU A 94 -1.228 -5.172 9.546 1.00 0.00 C ATOM 1650 O LEU A 94 -1.719 -4.280 10.228 1.00 0.00 O ATOM 1651 CB LEU A 94 1.254 -4.897 8.933 1.00 0.00 C ATOM 1652 CG LEU A 94 1.304 -5.321 7.450 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.526 -4.399 6.510 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.757 -5.372 6.970 1.00 0.00 C ATOM 0 H LEU A 94 0.898 -7.394 8.928 1.00 0.00 H new ATOM 0 HA LEU A 94 0.435 -5.315 10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.058 -3.826 8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.240 -5.059 9.369 1.00 0.00 H new ATOM 0 HG LEU A 94 0.830 -6.302 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.611 -4.766 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.524 -4.382 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.935 -3.390 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.784 -5.672 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.210 -4.387 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.313 -6.094 7.568 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.936 -5.788 8.592 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.317 -5.401 8.318 1.00 0.00 C ATOM 1668 C TYR A 95 -4.220 -5.658 9.521 1.00 0.00 C ATOM 1669 O TYR A 95 -5.128 -4.875 9.786 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.860 -6.159 7.110 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.273 -5.762 6.741 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.480 -4.595 5.987 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.371 -6.551 7.129 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.770 -4.216 5.587 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.662 -6.203 6.696 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.866 -5.040 5.924 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.107 -4.739 5.459 1.00 0.00 O ATOM 0 H TYR A 95 -1.579 -6.544 8.007 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.315 -4.332 8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.206 -5.984 6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.833 -7.229 7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.635 -3.982 5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.223 -7.418 7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.923 -3.305 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.503 -6.829 6.956 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.036 -4.073 4.743 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.011 -6.782 10.197 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.763 -7.203 11.360 1.00 0.00 C ATOM 1689 C GLU A 96 -4.468 -6.317 12.566 1.00 0.00 C ATOM 1690 O GLU A 96 -5.401 -5.868 13.222 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.420 -8.670 11.630 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.125 -9.272 12.845 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.715 -10.735 12.957 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -3.590 -11.011 13.443 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -5.443 -11.592 12.403 1.00 0.00 O ATOM 0 H GLU A 96 -3.283 -7.447 9.935 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.832 -7.104 11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.676 -9.258 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.343 -8.758 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.851 -8.730 13.750 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.206 -9.187 12.738 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.198 -6.036 12.862 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.854 -5.217 14.024 1.00 0.00 C ATOM 1704 C ASP A 97 -3.128 -3.725 13.840 1.00 0.00 C ATOM 1705 O ASP A 97 -3.525 -3.054 14.788 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.390 -5.425 14.410 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.136 -4.812 15.783 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.809 -5.239 16.748 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.245 -3.939 15.905 1.00 0.00 O ATOM 0 H ASP A 97 -2.398 -6.360 12.319 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.511 -5.556 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.154 -6.489 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.738 -4.965 13.668 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.963 -3.196 12.627 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.174 -1.783 12.282 1.00 0.00 C ATOM 1716 C ASN A 98 -4.592 -1.521 11.752 1.00 0.00 C ATOM 1717 O ASN A 98 -4.884 -0.398 11.329 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.111 -1.303 11.276 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.660 -1.579 11.681 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.179 -1.833 10.822 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.311 -1.493 12.958 1.00 0.00 N ATOM 0 H ASN A 98 -2.668 -3.756 11.827 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.067 -1.206 13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.301 -1.781 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.232 -0.230 11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.661 -1.638 13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.014 -1.281 13.666 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.439 -2.553 11.701 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.811 -2.546 11.211 1.00 0.00 C ATOM 1730 C HIS A 99 -7.656 -1.336 11.610 1.00 0.00 C ATOM 1731 O HIS A 99 -7.676 -0.918 12.771 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.546 -3.824 11.650 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.973 -3.884 13.098 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.261 -4.102 13.532 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.184 -3.707 14.205 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.243 -4.066 14.873 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.004 -3.830 15.330 1.00 0.00 N ATOM 0 H HIS A 99 -5.159 -3.479 12.025 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.702 -2.492 10.128 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.432 -3.941 11.026 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.899 -4.678 11.448 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.122 -3.509 14.207 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.110 -4.208 15.501 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.717 -3.755 16.306 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.396 -0.809 10.636 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.310 0.311 10.780 1.00 0.00 C ATOM 1747 C GLU A 100 -10.703 -0.094 10.291 1.00 0.00 C ATOM 1748 O GLU A 100 -10.894 -1.194 9.753 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.764 1.572 10.086 1.00 0.00 C ATOM 1750 CG GLU A 100 -8.037 2.484 11.076 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.926 3.034 12.202 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -10.125 2.675 12.310 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -8.376 3.789 13.039 1.00 0.00 O ATOM 0 H GLU A 100 -8.370 -1.172 9.683 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.400 0.573 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.081 1.283 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.585 2.118 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.209 1.931 11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.604 3.322 10.529 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.690 0.787 10.468 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.077 0.547 10.054 1.00 0.00 C ATOM 1762 C GLU A 101 -13.268 0.677 8.538 1.00 0.00 C ATOM 1763 O GLU A 101 -14.302 0.278 7.997 1.00 0.00 O ATOM 1764 CB GLU A 101 -14.007 1.596 10.673 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.908 1.774 12.188 1.00 0.00 C ATOM 1766 CD GLU A 101 -15.116 2.565 12.697 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.498 3.579 12.074 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -15.735 2.117 13.691 1.00 0.00 O ATOM 0 H GLU A 101 -11.549 1.697 10.907 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.309 -0.466 10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.802 2.557 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.035 1.332 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.868 0.800 12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.986 2.297 12.443 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.282 1.276 7.877 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.201 1.552 6.451 1.00 0.00 C ATOM 1777 C ASP A 102 -11.757 0.364 5.599 1.00 0.00 C ATOM 1778 O ASP A 102 -11.909 0.407 4.379 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.214 2.710 6.243 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.740 2.341 6.464 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -9.431 1.268 7.035 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -8.897 3.148 6.026 1.00 0.00 O ATOM 0 H ASP A 102 -11.452 1.607 8.368 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.210 1.797 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.331 3.092 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.478 3.521 6.922 1.00 0.00 H new ATOM 1787 N TYR A 103 -11.258 -0.705 6.226 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.762 -1.917 5.585 1.00 0.00 C ATOM 1789 C TYR A 103 -9.595 -1.656 4.607 1.00 0.00 C ATOM 1790 O TYR A 103 -9.319 -2.512 3.761 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.928 -2.698 4.950 1.00 0.00 C ATOM 1792 CG TYR A 103 -13.091 -2.957 5.890 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.960 -3.914 6.909 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -14.295 -2.238 5.762 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -14.027 -4.163 7.785 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -15.364 -2.475 6.646 1.00 0.00 C ATOM 1797 CZ TYR A 103 -15.228 -3.432 7.677 1.00 0.00 C ATOM 1798 OH TYR A 103 -16.271 -3.761 8.484 1.00 0.00 O ATOM 0 H TYR A 103 -11.187 -0.747 7.243 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.325 -2.548 6.359 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.292 -2.145 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.553 -3.653 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.035 -4.460 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.399 -1.500 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.928 -4.921 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -16.288 -1.926 6.537 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.029 -3.169 8.296 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.893 -0.524 4.714 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.772 -0.081 3.880 1.00 0.00 C ATOM 1810 C PHE A 104 -6.450 -0.033 4.654 1.00 0.00 C ATOM 1811 O PHE A 104 -6.469 0.095 5.878 1.00 0.00 O ATOM 1812 CB PHE A 104 -8.097 1.307 3.307 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.332 1.355 1.816 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.229 1.326 0.945 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.633 1.510 1.302 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.418 1.502 -0.434 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -9.822 1.682 -0.081 1.00 0.00 C ATOM 1818 CZ PHE A 104 -8.710 1.699 -0.942 1.00 0.00 C ATOM 0 H PHE A 104 -9.110 0.158 5.441 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.642 -0.806 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.985 1.690 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.277 1.983 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.235 1.168 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -10.484 1.497 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.570 1.486 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.818 1.801 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.852 1.865 -2.000 1.00 0.00 H new ATOM 1828 N LEU A 105 -5.305 -0.156 3.961 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.982 -0.107 4.600 1.00 0.00 C ATOM 1830 C LEU A 105 -3.043 0.840 3.835 1.00 0.00 C ATOM 1831 O LEU A 105 -3.012 0.781 2.610 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.438 -1.547 4.663 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.683 -1.954 5.942 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.280 -1.369 5.982 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.423 -1.629 7.244 1.00 0.00 C ATOM 0 H LEU A 105 -5.272 -0.291 2.951 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.055 0.293 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.276 -2.232 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.770 -1.694 3.814 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.619 -3.041 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.782 -1.680 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.712 -1.726 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.338 -0.281 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.821 -1.949 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.596 -0.555 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.379 -2.152 7.259 1.00 0.00 H new ATOM 1847 N TYR A 106 -2.301 1.711 4.523 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.347 2.692 3.984 1.00 0.00 C ATOM 1849 C TYR A 106 0.091 2.243 4.260 1.00 0.00 C ATOM 1850 O TYR A 106 0.393 1.884 5.403 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.641 4.039 4.677 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.564 5.117 4.656 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.483 5.098 5.598 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -0.663 6.200 3.767 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.442 6.123 5.620 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.288 7.234 3.790 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.372 7.181 4.692 1.00 0.00 C ATOM 1858 OH TYR A 106 2.337 8.144 4.684 1.00 0.00 O ATOM 0 H TYR A 106 -2.352 1.755 5.541 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.455 2.787 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.538 4.458 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.881 3.830 5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.549 4.288 6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.478 6.238 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.237 6.101 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.189 8.072 3.116 1.00 0.00 H new ATOM 0 HH TYR A 106 2.140 8.799 3.982 1.00 0.00 H new ATOM 1868 N VAL A 107 0.975 2.210 3.256 1.00 0.00 N ATOM 1869 CA VAL A 107 2.374 1.826 3.448 1.00 0.00 C ATOM 1870 C VAL A 107 3.252 2.812 2.659 1.00 0.00 C ATOM 1871 O VAL A 107 3.147 2.946 1.432 1.00 0.00 O ATOM 1872 CB VAL A 107 2.607 0.324 3.134 1.00 0.00 C ATOM 1873 CG1 VAL A 107 1.727 -0.600 3.986 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.395 -0.109 1.683 1.00 0.00 C ATOM 0 H VAL A 107 0.740 2.448 2.292 1.00 0.00 H new ATOM 0 HA VAL A 107 2.665 1.906 4.495 1.00 0.00 H new ATOM 0 HB VAL A 107 3.667 0.223 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.931 -1.639 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.947 -0.441 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.677 -0.378 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.588 -1.178 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.367 0.101 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.079 0.440 1.036 1.00 0.00 H new ATOM 1884 N ALA A 108 4.231 3.436 3.327 1.00 0.00 N ATOM 1885 CA ALA A 108 5.121 4.415 2.704 1.00 0.00 C ATOM 1886 C ALA A 108 6.560 3.912 2.640 1.00 0.00 C ATOM 1887 O ALA A 108 7.034 3.329 3.625 1.00 0.00 O ATOM 1888 CB ALA A 108 5.050 5.732 3.480 1.00 0.00 C ATOM 0 H ALA A 108 4.426 3.274 4.315 1.00 0.00 H new ATOM 0 HA ALA A 108 4.789 4.574 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.713 6.463 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.027 6.109 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.359 5.564 4.512 1.00 0.00 H new ATOM 1894 N TYR A 109 7.279 4.174 1.544 1.00 0.00 N ATOM 1895 CA TYR A 109 8.672 3.753 1.357 1.00 0.00 C ATOM 1896 C TYR A 109 9.610 4.940 1.126 1.00 0.00 C ATOM 1897 O TYR A 109 9.179 5.977 0.622 1.00 0.00 O ATOM 1898 CB TYR A 109 8.796 2.685 0.266 1.00 0.00 C ATOM 1899 CG TYR A 109 8.513 3.101 -1.167 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.187 3.227 -1.622 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.574 3.285 -2.075 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.915 3.526 -2.969 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.310 3.559 -3.429 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.978 3.682 -3.884 1.00 0.00 C ATOM 1905 OH TYR A 109 7.707 3.923 -5.197 1.00 0.00 O ATOM 0 H TYR A 109 6.904 4.692 0.749 1.00 0.00 H new ATOM 0 HA TYR A 109 8.996 3.290 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.808 2.283 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.119 1.869 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.370 3.093 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.595 3.215 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.894 3.636 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.129 3.676 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 109 8.547 4.006 -5.694 1.00 0.00 H new ATOM 1915 N SER A 110 10.876 4.779 1.517 1.00 0.00 N ATOM 1916 CA SER A 110 11.944 5.762 1.409 1.00 0.00 C ATOM 1917 C SER A 110 13.263 5.055 1.104 1.00 0.00 C ATOM 1918 O SER A 110 13.365 3.834 1.268 1.00 0.00 O ATOM 1919 CB SER A 110 12.093 6.489 2.755 1.00 0.00 C ATOM 1920 OG SER A 110 12.853 7.671 2.606 1.00 0.00 O ATOM 0 H SER A 110 11.196 3.908 1.941 1.00 0.00 H new ATOM 0 HA SER A 110 11.704 6.467 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.108 6.733 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.575 5.830 3.478 1.00 0.00 H new ATOM 0 HG SER A 110 13.671 7.604 3.142 1.00 0.00 H new ATOM 1926 N ASP A 111 14.254 5.802 0.608 1.00 0.00 N ATOM 1927 CA ASP A 111 15.580 5.270 0.323 1.00 0.00 C ATOM 1928 C ASP A 111 16.261 5.130 1.683 1.00 0.00 C ATOM 1929 O ASP A 111 16.616 4.036 2.102 1.00 0.00 O ATOM 1930 CB ASP A 111 16.345 6.223 -0.605 1.00 0.00 C ATOM 1931 CG ASP A 111 17.689 5.651 -1.056 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.598 5.430 -0.230 1.00 0.00 O ATOM 1933 OD2 ASP A 111 17.852 5.519 -2.290 1.00 0.00 O ATOM 0 H ASP A 111 14.154 6.794 0.394 1.00 0.00 H new ATOM 0 HA ASP A 111 15.543 4.311 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.734 6.439 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.511 7.170 -0.091 1.00 0.00 H new ATOM 1938 N GLU A 112 16.347 6.237 2.423 1.00 0.00 N ATOM 1939 CA GLU A 112 16.949 6.312 3.743 1.00 0.00 C ATOM 1940 C GLU A 112 15.879 6.755 4.740 1.00 0.00 C ATOM 1941 O GLU A 112 14.875 7.364 4.350 1.00 0.00 O ATOM 1942 CB GLU A 112 18.169 7.249 3.692 1.00 0.00 C ATOM 1943 CG GLU A 112 17.832 8.725 3.454 1.00 0.00 C ATOM 1944 CD GLU A 112 19.078 9.553 3.129 1.00 0.00 C ATOM 1945 OE1 GLU A 112 19.916 9.811 4.028 1.00 0.00 O ATOM 1946 OE2 GLU A 112 19.211 10.001 1.969 1.00 0.00 O ATOM 0 H GLU A 112 15.984 7.135 2.102 1.00 0.00 H new ATOM 0 HA GLU A 112 17.318 5.341 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.717 7.162 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.837 6.911 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.119 8.806 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.346 9.133 4.340 1.00 0.00 H new ATOM 1953 N SER A 113 16.035 6.416 6.019 1.00 0.00 N ATOM 1954 CA SER A 113 15.078 6.809 7.039 1.00 0.00 C ATOM 1955 C SER A 113 15.263 8.291 7.388 1.00 0.00 C ATOM 1956 O SER A 113 16.127 8.641 8.198 1.00 0.00 O ATOM 1957 CB SER A 113 15.199 5.887 8.261 1.00 0.00 C ATOM 1958 OG SER A 113 16.547 5.620 8.586 1.00 0.00 O ATOM 0 H SER A 113 16.820 5.868 6.369 1.00 0.00 H new ATOM 0 HA SER A 113 14.063 6.696 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.704 6.349 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 113 14.681 4.949 8.061 1.00 0.00 H new ATOM 0 HG SER A 113 16.584 5.032 9.369 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.581 -1.917 -6.859 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.604 -0.942 -7.334 1.00 0.00 C ATOM 2088 C GLU B 730 -12.436 -1.682 -8.020 1.00 0.00 C ATOM 2089 O GLU B 730 -12.339 -2.904 -7.875 1.00 0.00 O ATOM 2090 CB GLU B 730 -13.199 -0.077 -6.126 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.405 1.175 -6.508 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.011 1.914 -7.697 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -14.223 2.218 -7.721 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -12.262 2.171 -8.663 1.00 0.00 O ATOM 0 HA GLU B 730 -14.005 -0.272 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -14.098 0.223 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.603 -0.680 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -12.360 1.848 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.379 0.892 -6.745 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.524 -1.006 -8.731 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.404 -1.658 -9.432 1.00 0.00 C ATOM 2103 C ASP B 731 -9.054 -1.093 -8.996 1.00 0.00 C ATOM 2104 O ASP B 731 -8.783 0.104 -9.123 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.565 -1.558 -10.953 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.782 -2.327 -11.457 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.878 -3.552 -11.211 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -12.660 -1.687 -12.084 1.00 0.00 O ATOM 0 H ASP B 731 -11.540 0.008 -8.838 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.427 -2.712 -9.155 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.656 -0.510 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.668 -1.944 -11.437 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.208 -1.972 -8.456 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.866 -1.684 -7.960 1.00 0.00 C ATOM 2115 C TYR B 732 -5.861 -2.617 -8.644 1.00 0.00 C ATOM 2116 O TYR B 732 -6.245 -3.540 -9.375 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.840 -1.852 -6.429 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.864 -1.051 -5.634 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.252 0.248 -6.019 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -8.414 -1.609 -4.466 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -9.203 0.967 -5.275 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.354 -0.891 -3.710 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.769 0.392 -4.121 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.717 1.037 -3.394 1.00 0.00 O ATOM 0 H TYR B 732 -8.456 -2.955 -8.348 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.589 -0.656 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.983 -2.908 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.846 -1.580 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.813 0.697 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -8.111 -2.596 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.499 1.958 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.762 -1.324 -2.808 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.868 1.929 -3.771 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.569 -2.415 -8.377 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.514 -3.225 -8.966 1.00 0.00 C ATOM 2136 C ILE B 733 -3.364 -4.470 -8.089 1.00 0.00 C ATOM 2137 O ILE B 733 -2.653 -4.475 -7.082 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.219 -2.392 -9.090 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.441 -1.018 -9.761 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.135 -3.180 -9.846 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.049 -1.065 -11.167 1.00 0.00 C ATOM 0 H ILE B 733 -4.231 -1.687 -7.748 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.753 -3.544 -9.981 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.885 -2.197 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -3.092 -0.421 -9.122 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.484 -0.500 -9.814 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.232 -2.575 -9.922 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.911 -4.100 -9.306 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.493 -3.424 -10.846 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.164 -0.050 -11.548 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.392 -1.629 -11.829 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -4.025 -1.549 -11.126 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.042 -5.542 -8.481 1.00 0.00 N ATOM 2154 CA ILE B 734 -4.023 -6.807 -7.770 1.00 0.00 C ATOM 2155 C ILE B 734 -2.686 -7.460 -8.105 1.00 0.00 C ATOM 2156 O ILE B 734 -2.317 -7.531 -9.283 1.00 0.00 O ATOM 2157 CB ILE B 734 -5.192 -7.721 -8.220 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.534 -7.007 -8.510 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -5.394 -8.887 -7.237 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -7.112 -6.158 -7.378 1.00 0.00 C ATOM 0 H ILE B 734 -4.629 -5.553 -9.315 1.00 0.00 H new ATOM 0 HA ILE B 734 -4.141 -6.651 -6.698 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.872 -8.104 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.399 -6.367 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -7.271 -7.763 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -6.220 -9.511 -7.578 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -4.484 -9.484 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -5.622 -8.493 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.051 -5.710 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -7.292 -6.787 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.406 -5.370 -7.117 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.938 -7.871 -7.087 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.654 -8.536 -7.226 1.00 0.00 C ATOM 2174 C ILE B 735 -0.562 -9.524 -6.062 1.00 0.00 C ATOM 2175 O ILE B 735 -1.011 -9.239 -4.955 1.00 0.00 O ATOM 2176 CB ILE B 735 0.503 -7.515 -7.317 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.814 -8.297 -7.581 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.603 -6.604 -6.082 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.985 -7.473 -8.119 1.00 0.00 C ATOM 0 H ILE B 735 -2.220 -7.745 -6.115 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.566 -9.089 -8.161 1.00 0.00 H new ATOM 0 HB ILE B 735 0.309 -6.831 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.125 -8.771 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.601 -9.097 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.434 -5.910 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.324 -6.042 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE B 735 0.770 -7.213 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.849 -8.121 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.705 -7.020 -9.070 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.237 -6.690 -7.404 1.00 0.00 H new