USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 56 CYS SG : rot 180:sc= -0.194 USER MOD Set 1.2: A 90 THR OG1 : rot 73:sc= 0.566 USER MOD Set 2.1: A 41 GLN : amide:sc= -0.0173 X(o=0.55,f=0.54) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.563 K(o=0.55,f=-0.089) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 31 SER OG : rot -160:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 34 SER OG : rot -0:sc= 0.218 USER MOD Single : A 37 LYS NZ :NH3+ -104:sc= 0.462 (180deg=-1.14!) USER MOD Single : A 45 ASN : amide:sc= 0.146 K(o=0.15,f=-0.92) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0.939 (180deg=0.662) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.57 K(o=0.57,f=-6.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 65 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 67 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.77) USER MOD Single : A 68 ASN : amide:sc= 0.576 K(o=0.58,f=-2!) USER MOD Single : A 72 GLN : amide:sc= 0.824 K(o=0.82,f=-1.7!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 1.03 (180deg=-0.139!) USER MOD Single : A 80 SER OG : rot 85:sc= 1.11 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.717 USER MOD Single : A 107 GLN : amide:sc= 0.55 K(o=0.55,f=-4.8!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -1.067 11.638 -3.548 1.00 0.00 N ATOM 244 CA LEU A 16 0.333 11.287 -3.388 1.00 0.00 C ATOM 245 C LEU A 16 0.471 9.785 -3.639 1.00 0.00 C ATOM 246 O LEU A 16 1.465 9.372 -4.222 1.00 0.00 O ATOM 247 CB LEU A 16 0.808 11.748 -2.005 1.00 0.00 C ATOM 248 CG LEU A 16 2.284 11.493 -1.675 1.00 0.00 C ATOM 249 CD1 LEU A 16 2.644 10.020 -1.522 1.00 0.00 C ATOM 250 CD2 LEU A 16 3.203 12.161 -2.694 1.00 0.00 C ATOM 0 HA LEU A 16 0.979 11.791 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.617 12.818 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.198 11.252 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 16 2.439 11.947 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.705 9.927 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.056 9.584 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.429 9.494 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.242 11.962 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.996 11.762 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.028 13.237 -2.691 1.00 0.00 H new ATOM 262 N ALA A 17 -0.548 8.975 -3.318 1.00 0.00 N ATOM 263 CA ALA A 17 -0.578 7.545 -3.625 1.00 0.00 C ATOM 264 C ALA A 17 -0.229 7.245 -5.089 1.00 0.00 C ATOM 265 O ALA A 17 0.384 6.220 -5.379 1.00 0.00 O ATOM 266 CB ALA A 17 -1.960 6.950 -3.341 1.00 0.00 C ATOM 0 H ALA A 17 -1.383 9.302 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 17 0.176 7.092 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.954 5.886 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.205 7.086 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.706 7.454 -3.955 1.00 0.00 H new ATOM 272 N ALA A 18 -0.609 8.142 -6.001 1.00 0.00 N ATOM 273 CA ALA A 18 -0.324 8.050 -7.421 1.00 0.00 C ATOM 274 C ALA A 18 1.196 8.045 -7.663 1.00 0.00 C ATOM 275 O ALA A 18 1.698 7.217 -8.422 1.00 0.00 O ATOM 276 CB ALA A 18 -1.042 9.216 -8.115 1.00 0.00 C ATOM 0 H ALA A 18 -1.141 8.977 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.693 7.115 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.848 9.176 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.115 9.140 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.674 10.160 -7.714 1.00 0.00 H new ATOM 282 N GLU A 19 1.932 8.921 -6.969 1.00 0.00 N ATOM 283 CA GLU A 19 3.395 8.971 -6.978 1.00 0.00 C ATOM 284 C GLU A 19 3.961 7.798 -6.167 1.00 0.00 C ATOM 285 O GLU A 19 5.026 7.275 -6.480 1.00 0.00 O ATOM 286 CB GLU A 19 3.932 10.266 -6.333 1.00 0.00 C ATOM 287 CG GLU A 19 3.118 11.553 -6.526 1.00 0.00 C ATOM 288 CD GLU A 19 3.094 12.105 -7.950 1.00 0.00 C ATOM 289 OE1 GLU A 19 4.167 12.269 -8.580 1.00 0.00 O ATOM 290 OE2 GLU A 19 1.995 12.508 -8.394 1.00 0.00 O ATOM 0 H GLU A 19 1.513 9.633 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 19 3.705 8.927 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.032 10.090 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.935 10.443 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.092 11.365 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.520 12.320 -5.864 1.00 0.00 H new ATOM 297 N ALA A 20 3.265 7.371 -5.109 1.00 0.00 N ATOM 298 CA ALA A 20 3.703 6.271 -4.269 1.00 0.00 C ATOM 299 C ALA A 20 3.787 4.986 -5.074 1.00 0.00 C ATOM 300 O ALA A 20 4.686 4.188 -4.850 1.00 0.00 O ATOM 301 CB ALA A 20 2.773 6.094 -3.072 1.00 0.00 C ATOM 0 H ALA A 20 2.380 7.785 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 20 4.698 6.509 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.123 5.264 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.768 7.007 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.763 5.884 -3.424 1.00 0.00 H new ATOM 307 N ILE A 21 2.870 4.806 -6.019 1.00 0.00 N ATOM 308 CA ILE A 21 2.854 3.712 -6.974 1.00 0.00 C ATOM 309 C ILE A 21 4.080 3.791 -7.884 1.00 0.00 C ATOM 310 O ILE A 21 4.643 2.761 -8.260 1.00 0.00 O ATOM 311 CB ILE A 21 1.502 3.799 -7.731 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.437 3.087 -6.880 1.00 0.00 C ATOM 313 CG2 ILE A 21 1.567 3.288 -9.178 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.999 3.295 -7.347 1.00 0.00 C ATOM 0 H ILE A 21 2.086 5.447 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 21 2.920 2.737 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 21 1.230 4.847 -7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.651 2.018 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.523 3.434 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.585 3.381 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.291 3.878 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.872 2.242 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.678 2.756 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.239 4.358 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.109 2.920 -8.365 1.00 0.00 H new ATOM 326 N GLU A 22 4.539 4.994 -8.228 1.00 0.00 N ATOM 327 CA GLU A 22 5.749 5.153 -9.018 1.00 0.00 C ATOM 328 C GLU A 22 6.979 4.727 -8.196 1.00 0.00 C ATOM 329 O GLU A 22 8.011 4.383 -8.781 1.00 0.00 O ATOM 330 CB GLU A 22 5.804 6.582 -9.567 1.00 0.00 C ATOM 331 CG GLU A 22 7.031 6.822 -10.443 1.00 0.00 C ATOM 332 CD GLU A 22 6.841 8.094 -11.259 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.029 8.077 -12.217 1.00 0.00 O ATOM 334 OE2 GLU A 22 7.466 9.125 -10.918 1.00 0.00 O ATOM 0 H GLU A 22 4.087 5.871 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 22 5.746 4.493 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.903 6.781 -10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.810 7.288 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.922 6.908 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.187 5.972 -11.108 1.00 0.00 H new ATOM 341 N ARG A 23 6.888 4.688 -6.857 1.00 0.00 N ATOM 342 CA ARG A 23 7.952 4.168 -6.001 1.00 0.00 C ATOM 343 C ARG A 23 7.747 2.666 -5.805 1.00 0.00 C ATOM 344 O ARG A 23 8.601 1.892 -6.237 1.00 0.00 O ATOM 345 CB ARG A 23 8.058 4.936 -4.668 1.00 0.00 C ATOM 346 CG ARG A 23 9.493 4.888 -4.112 1.00 0.00 C ATOM 347 CD ARG A 23 9.626 5.815 -2.898 1.00 0.00 C ATOM 348 NE ARG A 23 11.017 5.950 -2.434 1.00 0.00 N ATOM 349 CZ ARG A 23 11.637 7.066 -2.023 1.00 0.00 C ATOM 350 NH1 ARG A 23 11.105 8.272 -2.200 1.00 0.00 N ATOM 351 NH2 ARG A 23 12.804 6.994 -1.399 1.00 0.00 N ATOM 0 H ARG A 23 6.071 5.018 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 23 8.912 4.324 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.757 5.973 -4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.369 4.506 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.746 3.867 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.200 5.187 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.236 6.800 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.012 5.431 -2.084 1.00 0.00 H new ATOM 0 HE ARG A 23 11.574 5.095 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.200 8.368 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.602 9.101 -1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.236 6.086 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.270 7.847 -1.089 1.00 0.00 H new ATOM 365 N ASP A 24 6.634 2.248 -5.204 1.00 0.00 N ATOM 366 CA ASP A 24 6.318 0.871 -4.819 1.00 0.00 C ATOM 367 C ASP A 24 5.812 0.035 -5.999 1.00 0.00 C ATOM 368 O ASP A 24 4.700 0.279 -6.482 1.00 0.00 O ATOM 369 CB ASP A 24 5.234 0.839 -3.736 1.00 0.00 C ATOM 370 CG ASP A 24 4.974 -0.591 -3.220 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.741 -1.529 -3.544 1.00 0.00 O ATOM 372 OD2 ASP A 24 3.944 -0.787 -2.545 1.00 0.00 O ATOM 0 H ASP A 24 5.886 2.897 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 24 7.251 0.447 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.534 1.476 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.309 1.253 -4.137 1.00 0.00 H new ATOM 377 N PRO A 25 6.563 -0.972 -6.468 1.00 0.00 N ATOM 378 CA PRO A 25 6.100 -1.850 -7.530 1.00 0.00 C ATOM 379 C PRO A 25 4.914 -2.720 -7.102 1.00 0.00 C ATOM 380 O PRO A 25 4.128 -3.097 -7.968 1.00 0.00 O ATOM 381 CB PRO A 25 7.311 -2.697 -7.922 1.00 0.00 C ATOM 382 CG PRO A 25 8.132 -2.728 -6.641 1.00 0.00 C ATOM 383 CD PRO A 25 7.892 -1.358 -6.030 1.00 0.00 C ATOM 0 HA PRO A 25 5.724 -1.271 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.019 -3.698 -8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.866 -2.251 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.806 -3.527 -5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.189 -2.896 -6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.952 -1.396 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.641 -0.641 -6.366 1.00 0.00 H new ATOM 391 N TRP A 26 4.727 -3.036 -5.812 1.00 0.00 N ATOM 392 CA TRP A 26 3.526 -3.763 -5.411 1.00 0.00 C ATOM 393 C TRP A 26 2.316 -2.841 -5.530 1.00 0.00 C ATOM 394 O TRP A 26 1.317 -3.255 -6.108 1.00 0.00 O ATOM 395 CB TRP A 26 3.618 -4.372 -4.010 1.00 0.00 C ATOM 396 CG TRP A 26 2.309 -4.954 -3.556 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.538 -4.450 -2.571 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.546 -6.067 -4.115 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.372 -5.180 -2.454 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.316 -6.189 -3.399 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.794 -7.012 -5.133 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.619 -7.202 -3.688 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.901 -8.069 -5.388 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.314 -8.150 -4.683 1.00 0.00 C ATOM 0 H TRP A 26 5.371 -2.807 -5.055 1.00 0.00 H new ATOM 0 HA TRP A 26 3.418 -4.610 -6.088 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.381 -5.150 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.938 -3.606 -3.303 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.796 -3.597 -1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.354 -4.999 -1.761 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.690 -6.922 -5.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.556 -7.251 -3.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.148 -8.819 -6.125 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.014 -8.941 -4.906 1.00 0.00 H new ATOM 415 N ALA A 27 2.384 -1.595 -5.052 1.00 0.00 N ATOM 416 CA ALA A 27 1.286 -0.655 -5.246 1.00 0.00 C ATOM 417 C ALA A 27 0.941 -0.533 -6.737 1.00 0.00 C ATOM 418 O ALA A 27 -0.238 -0.528 -7.096 1.00 0.00 O ATOM 419 CB ALA A 27 1.641 0.714 -4.667 1.00 0.00 C ATOM 0 H ALA A 27 3.179 -1.221 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 27 0.412 -1.035 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.809 1.401 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.838 0.617 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.529 1.101 -5.166 1.00 0.00 H new ATOM 425 N ALA A 28 1.957 -0.459 -7.605 1.00 0.00 N ATOM 426 CA ALA A 28 1.750 -0.400 -9.043 1.00 0.00 C ATOM 427 C ALA A 28 1.049 -1.665 -9.536 1.00 0.00 C ATOM 428 O ALA A 28 0.102 -1.592 -10.320 1.00 0.00 O ATOM 429 CB ALA A 28 3.093 -0.228 -9.762 1.00 0.00 C ATOM 0 H ALA A 28 2.938 -0.439 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 28 1.115 0.458 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.927 -0.185 -10.838 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.567 0.696 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.741 -1.072 -9.529 1.00 0.00 H new ATOM 435 N GLN A 29 1.485 -2.828 -9.046 1.00 0.00 N ATOM 436 CA GLN A 29 0.842 -4.094 -9.340 1.00 0.00 C ATOM 437 C GLN A 29 -0.624 -4.039 -8.933 1.00 0.00 C ATOM 438 O GLN A 29 -1.447 -4.443 -9.740 1.00 0.00 O ATOM 439 CB GLN A 29 1.568 -5.278 -8.686 1.00 0.00 C ATOM 440 CG GLN A 29 2.812 -5.701 -9.474 1.00 0.00 C ATOM 441 CD GLN A 29 3.599 -6.754 -8.702 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.063 -7.775 -8.281 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.888 -6.557 -8.506 1.00 0.00 N ATOM 0 H GLN A 29 2.297 -2.910 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 29 0.898 -4.260 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.858 -5.008 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.884 -6.123 -8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.517 -6.098 -10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.443 -4.833 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.333 -5.709 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.440 -7.253 -8.005 1.00 0.00 H new ATOM 452 N VAL A 30 -0.999 -3.501 -7.770 1.00 0.00 N ATOM 453 CA VAL A 30 -2.404 -3.435 -7.356 1.00 0.00 C ATOM 454 C VAL A 30 -3.240 -2.670 -8.382 1.00 0.00 C ATOM 455 O VAL A 30 -4.346 -3.103 -8.714 1.00 0.00 O ATOM 456 CB VAL A 30 -2.536 -2.843 -5.935 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.997 -2.657 -5.491 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.857 -3.769 -4.925 1.00 0.00 C ATOM 0 H VAL A 30 -0.346 -3.103 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.799 -4.450 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.061 -1.862 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.021 -2.238 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.503 -1.979 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.504 -3.622 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.952 -3.348 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.333 -4.749 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.801 -3.871 -5.177 1.00 0.00 H new ATOM 468 N SER A 31 -2.701 -1.581 -8.923 1.00 0.00 N ATOM 469 CA SER A 31 -3.358 -0.825 -9.972 1.00 0.00 C ATOM 470 C SER A 31 -3.488 -1.627 -11.271 1.00 0.00 C ATOM 471 O SER A 31 -4.462 -1.435 -11.996 1.00 0.00 O ATOM 472 CB SER A 31 -2.582 0.478 -10.187 1.00 0.00 C ATOM 473 OG SER A 31 -3.061 1.478 -9.304 1.00 0.00 O ATOM 0 H SER A 31 -1.796 -1.202 -8.643 1.00 0.00 H new ATOM 0 HA SER A 31 -4.378 -0.599 -9.663 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.519 0.310 -10.017 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.691 0.810 -11.219 1.00 0.00 H new ATOM 0 HG SER A 31 -2.807 2.362 -9.642 1.00 0.00 H new ATOM 479 N GLN A 32 -2.556 -2.536 -11.556 1.00 0.00 N ATOM 480 CA GLN A 32 -2.590 -3.387 -12.741 1.00 0.00 C ATOM 481 C GLN A 32 -3.522 -4.589 -12.523 1.00 0.00 C ATOM 482 O GLN A 32 -4.152 -5.066 -13.467 1.00 0.00 O ATOM 483 CB GLN A 32 -1.145 -3.815 -13.043 1.00 0.00 C ATOM 484 CG GLN A 32 -1.023 -4.705 -14.286 1.00 0.00 C ATOM 485 CD GLN A 32 0.424 -4.951 -14.716 1.00 0.00 C ATOM 486 OE1 GLN A 32 0.722 -5.049 -15.902 1.00 0.00 O ATOM 487 NE2 GLN A 32 1.372 -5.048 -13.792 1.00 0.00 N ATOM 0 H GLN A 32 -1.745 -2.703 -10.960 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.994 -2.847 -13.597 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.531 -2.925 -13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.744 -4.349 -12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.503 -5.663 -14.087 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.566 -4.242 -15.110 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.131 -4.967 -12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.341 -5.203 -14.070 1.00 0.00 H new ATOM 496 N LEU A 33 -3.607 -5.082 -11.285 1.00 0.00 N ATOM 497 CA LEU A 33 -4.465 -6.186 -10.863 1.00 0.00 C ATOM 498 C LEU A 33 -5.925 -5.741 -10.774 1.00 0.00 C ATOM 499 O LEU A 33 -6.835 -6.571 -10.788 1.00 0.00 O ATOM 500 CB LEU A 33 -4.040 -6.690 -9.468 1.00 0.00 C ATOM 501 CG LEU A 33 -2.692 -7.403 -9.297 1.00 0.00 C ATOM 502 CD1 LEU A 33 -2.671 -8.207 -7.991 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.400 -8.296 -10.487 1.00 0.00 C ATOM 0 H LEU A 33 -3.053 -4.704 -10.516 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.364 -6.979 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.042 -5.831 -8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.816 -7.371 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.908 -6.647 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.708 -8.706 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.825 -7.534 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.466 -8.953 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.440 -8.791 -10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.185 -9.047 -10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.365 -7.693 -11.394 1.00 0.00 H new ATOM 515 N SER A 34 -6.135 -4.433 -10.657 1.00 0.00 N ATOM 516 CA SER A 34 -7.415 -3.738 -10.651 1.00 0.00 C ATOM 517 C SER A 34 -8.440 -4.391 -9.717 1.00 0.00 C ATOM 518 O SER A 34 -9.509 -4.843 -10.142 1.00 0.00 O ATOM 519 CB SER A 34 -7.907 -3.626 -12.096 1.00 0.00 C ATOM 520 OG SER A 34 -7.015 -2.855 -12.877 1.00 0.00 O ATOM 0 H SER A 34 -5.355 -3.784 -10.556 1.00 0.00 H new ATOM 0 HA SER A 34 -7.281 -2.737 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.007 -4.622 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.897 -3.171 -12.112 1.00 0.00 H new ATOM 0 HG SER A 34 -6.268 -2.553 -12.319 1.00 0.00 H new ATOM 526 N LEU A 35 -8.107 -4.466 -8.428 1.00 0.00 N ATOM 527 CA LEU A 35 -8.918 -5.153 -7.420 1.00 0.00 C ATOM 528 C LEU A 35 -10.261 -4.434 -7.196 1.00 0.00 C ATOM 529 O LEU A 35 -10.352 -3.234 -7.471 1.00 0.00 O ATOM 530 CB LEU A 35 -8.122 -5.249 -6.104 1.00 0.00 C ATOM 531 CG LEU A 35 -7.237 -6.508 -5.998 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.407 -6.787 -7.243 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.228 -6.350 -4.866 1.00 0.00 C ATOM 0 H LEU A 35 -7.257 -4.047 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.146 -6.157 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.492 -4.365 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.820 -5.236 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.940 -7.325 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.813 -7.688 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.069 -6.930 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.744 -5.943 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.610 -7.245 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.594 -5.485 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.757 -6.207 -3.924 1.00 0.00 H new ATOM 545 N PRO A 36 -11.288 -5.138 -6.677 1.00 0.00 N ATOM 546 CA PRO A 36 -12.590 -4.567 -6.327 1.00 0.00 C ATOM 547 C PRO A 36 -12.490 -3.620 -5.113 1.00 0.00 C ATOM 548 O PRO A 36 -12.078 -2.475 -5.303 1.00 0.00 O ATOM 549 CB PRO A 36 -13.534 -5.767 -6.173 1.00 0.00 C ATOM 550 CG PRO A 36 -12.597 -6.918 -5.810 1.00 0.00 C ATOM 551 CD PRO A 36 -11.338 -6.592 -6.597 1.00 0.00 C ATOM 0 HA PRO A 36 -12.991 -3.906 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.277 -5.595 -5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.079 -5.969 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.404 -6.959 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.014 -7.884 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.452 -6.987 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.371 -7.038 -7.591 1.00 0.00 H new ATOM 559 N LYS A 37 -12.824 -4.018 -3.871 1.00 0.00 N ATOM 560 CA LYS A 37 -12.683 -3.109 -2.720 1.00 0.00 C ATOM 561 C LYS A 37 -12.184 -3.780 -1.461 1.00 0.00 C ATOM 562 O LYS A 37 -11.109 -3.411 -1.008 1.00 0.00 O ATOM 563 CB LYS A 37 -13.963 -2.305 -2.449 1.00 0.00 C ATOM 564 CG LYS A 37 -13.728 -1.137 -1.463 1.00 0.00 C ATOM 565 CD LYS A 37 -13.140 0.157 -2.048 1.00 0.00 C ATOM 566 CE LYS A 37 -11.771 -0.005 -2.711 1.00 0.00 C ATOM 567 NZ LYS A 37 -11.202 1.274 -3.161 1.00 0.00 N ATOM 0 H LYS A 37 -13.186 -4.944 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.902 -2.409 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.347 -1.911 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.727 -2.969 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.680 -0.894 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.061 -1.487 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.839 0.558 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.057 0.895 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.085 -0.475 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.863 -0.677 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.298 1.353 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.709 2.059 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.195 1.316 -2.903 1.00 0.00 H new ATOM 581 N LEU A 38 -12.915 -4.741 -0.903 1.00 0.00 N ATOM 582 CA LEU A 38 -12.440 -5.531 0.240 1.00 0.00 C ATOM 583 C LEU A 38 -11.054 -6.081 -0.099 1.00 0.00 C ATOM 584 O LEU A 38 -10.121 -5.993 0.695 1.00 0.00 O ATOM 585 CB LEU A 38 -13.418 -6.694 0.501 1.00 0.00 C ATOM 586 CG LEU A 38 -12.935 -7.700 1.563 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.999 -7.077 2.952 1.00 0.00 C ATOM 588 CD2 LEU A 38 -13.797 -8.964 1.533 1.00 0.00 C ATOM 0 H LEU A 38 -13.849 -4.997 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.385 -4.911 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.377 -6.283 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.590 -7.226 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.903 -7.965 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.655 -7.800 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.361 -6.193 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.027 -6.791 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.442 -9.664 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.835 -8.702 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.729 -9.428 0.549 1.00 0.00 H new ATOM 600 N VAL A 39 -10.925 -6.633 -1.305 1.00 0.00 N ATOM 601 CA VAL A 39 -9.687 -7.224 -1.776 1.00 0.00 C ATOM 602 C VAL A 39 -8.638 -6.128 -1.991 1.00 0.00 C ATOM 603 O VAL A 39 -7.479 -6.337 -1.644 1.00 0.00 O ATOM 604 CB VAL A 39 -9.951 -8.060 -3.046 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.752 -8.962 -3.355 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.209 -8.930 -2.884 1.00 0.00 C ATOM 0 H VAL A 39 -11.686 -6.680 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.288 -7.907 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.105 -7.364 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.956 -9.544 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.866 -8.348 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.579 -9.637 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.371 -9.508 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.076 -9.609 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.073 -8.290 -2.702 1.00 0.00 H new ATOM 616 N GLU A 40 -9.032 -4.954 -2.508 1.00 0.00 N ATOM 617 CA GLU A 40 -8.113 -3.824 -2.665 1.00 0.00 C ATOM 618 C GLU A 40 -7.563 -3.470 -1.283 1.00 0.00 C ATOM 619 O GLU A 40 -6.359 -3.324 -1.137 1.00 0.00 O ATOM 620 CB GLU A 40 -8.796 -2.622 -3.351 1.00 0.00 C ATOM 621 CG GLU A 40 -7.836 -1.431 -3.558 1.00 0.00 C ATOM 622 CD GLU A 40 -8.552 -0.156 -4.023 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.368 -0.208 -4.968 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.385 0.923 -3.407 1.00 0.00 O ATOM 0 H GLU A 40 -9.983 -4.766 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.289 -4.101 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.192 -2.937 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.645 -2.299 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.313 -1.227 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.080 -1.705 -4.294 1.00 0.00 H new ATOM 631 N GLN A 41 -8.411 -3.404 -0.252 1.00 0.00 N ATOM 632 CA GLN A 41 -8.006 -3.076 1.105 1.00 0.00 C ATOM 633 C GLN A 41 -7.005 -4.093 1.656 1.00 0.00 C ATOM 634 O GLN A 41 -6.083 -3.714 2.377 1.00 0.00 O ATOM 635 CB GLN A 41 -9.248 -2.960 1.998 1.00 0.00 C ATOM 636 CG GLN A 41 -8.938 -2.156 3.266 1.00 0.00 C ATOM 637 CD GLN A 41 -10.209 -1.563 3.857 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.870 -0.738 3.226 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.580 -1.952 5.059 1.00 0.00 N ATOM 0 H GLN A 41 -9.411 -3.581 -0.345 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.494 -2.114 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.054 -2.478 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.599 -3.955 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.456 -2.800 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.234 -1.358 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.021 -2.636 5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.426 -1.569 5.480 1.00 0.00 H new ATOM 648 N VAL A 42 -7.166 -5.370 1.315 1.00 0.00 N ATOM 649 CA VAL A 42 -6.251 -6.445 1.675 1.00 0.00 C ATOM 650 C VAL A 42 -4.902 -6.239 0.993 1.00 0.00 C ATOM 651 O VAL A 42 -3.871 -6.269 1.668 1.00 0.00 O ATOM 652 CB VAL A 42 -6.939 -7.786 1.344 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.028 -9.006 1.197 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.945 -8.041 2.463 1.00 0.00 C ATOM 0 H VAL A 42 -7.962 -5.692 0.764 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.028 -6.450 2.742 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.383 -7.675 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.631 -9.884 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.315 -8.832 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.489 -9.172 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.463 -8.982 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.421 -8.096 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.670 -7.227 2.493 1.00 0.00 H new ATOM 664 N ALA A 43 -4.881 -6.014 -0.320 1.00 0.00 N ATOM 665 CA ALA A 43 -3.644 -5.750 -1.032 1.00 0.00 C ATOM 666 C ALA A 43 -2.993 -4.443 -0.570 1.00 0.00 C ATOM 667 O ALA A 43 -1.771 -4.335 -0.590 1.00 0.00 O ATOM 668 CB ALA A 43 -3.925 -5.707 -2.530 1.00 0.00 C ATOM 0 H ALA A 43 -5.714 -6.011 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.941 -6.554 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.998 -5.509 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.334 -6.665 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.644 -4.916 -2.743 1.00 0.00 H new ATOM 674 N LEU A 44 -3.800 -3.466 -0.151 1.00 0.00 N ATOM 675 CA LEU A 44 -3.373 -2.151 0.293 1.00 0.00 C ATOM 676 C LEU A 44 -2.710 -2.242 1.654 1.00 0.00 C ATOM 677 O LEU A 44 -1.773 -1.495 1.928 1.00 0.00 O ATOM 678 CB LEU A 44 -4.539 -1.152 0.409 1.00 0.00 C ATOM 679 CG LEU A 44 -4.903 -0.420 -0.892 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.187 0.382 -0.644 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.800 0.542 -1.352 1.00 0.00 C ATOM 0 H LEU A 44 -4.813 -3.582 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.676 -1.791 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.420 -1.686 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.287 -0.410 1.167 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.035 -1.165 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.467 0.912 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.990 -0.297 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.017 1.102 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.107 1.033 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.628 1.293 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.880 -0.016 -1.527 1.00 0.00 H new ATOM 693 N ASN A 45 -3.212 -3.123 2.524 1.00 0.00 N ATOM 694 CA ASN A 45 -2.729 -3.202 3.896 1.00 0.00 C ATOM 695 C ASN A 45 -1.730 -4.341 4.054 1.00 0.00 C ATOM 696 O ASN A 45 -1.517 -4.818 5.171 1.00 0.00 O ATOM 697 CB ASN A 45 -3.908 -3.245 4.874 1.00 0.00 C ATOM 698 CG ASN A 45 -4.533 -1.859 4.981 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.093 -1.051 5.793 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.533 -1.551 4.173 1.00 0.00 N ATOM 0 H ASN A 45 -3.951 -3.788 2.298 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.172 -2.299 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.651 -3.965 4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.568 -3.579 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.957 -0.624 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.881 -2.240 3.506 1.00 0.00 H new ATOM 707 N ALA A 46 -1.110 -4.781 2.954 1.00 0.00 N ATOM 708 CA ALA A 46 -0.059 -5.774 2.979 1.00 0.00 C ATOM 709 C ALA A 46 1.065 -5.425 2.019 1.00 0.00 C ATOM 710 O ALA A 46 0.833 -4.780 1.004 1.00 0.00 O ATOM 711 CB ALA A 46 -0.651 -7.114 2.549 1.00 0.00 C ATOM 0 H ALA A 46 -1.335 -4.447 2.017 1.00 0.00 H new ATOM 0 HA ALA A 46 0.347 -5.816 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.128 -7.877 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.448 -7.397 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.056 -7.026 1.541 1.00 0.00 H new ATOM 717 N TRP A 47 2.268 -5.904 2.315 1.00 0.00 N ATOM 718 CA TRP A 47 3.425 -5.784 1.430 1.00 0.00 C ATOM 719 C TRP A 47 3.651 -7.180 0.859 1.00 0.00 C ATOM 720 O TRP A 47 3.427 -8.189 1.535 1.00 0.00 O ATOM 721 CB TRP A 47 4.659 -5.220 2.136 1.00 0.00 C ATOM 722 CG TRP A 47 5.109 -5.920 3.377 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.553 -5.757 4.594 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.181 -6.892 3.556 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.254 -6.485 5.525 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.258 -7.218 4.942 1.00 0.00 C ATOM 727 CE3 TRP A 47 7.076 -7.557 2.694 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.164 -8.153 5.449 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.983 -8.505 3.200 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.027 -8.811 4.566 1.00 0.00 C ATOM 0 H TRP A 47 2.472 -6.393 3.187 1.00 0.00 H new ATOM 0 HA TRP A 47 3.237 -5.062 0.635 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.486 -5.223 1.426 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.459 -4.179 2.388 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.687 -5.147 4.805 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.053 -6.481 6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.065 -7.337 1.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.198 -8.365 6.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.658 -9.007 2.523 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.723 -9.550 4.935 1.00 0.00 H new ATOM 741 N LYS A 48 4.059 -7.247 -0.405 1.00 0.00 N ATOM 742 CA LYS A 48 4.178 -8.499 -1.126 1.00 0.00 C ATOM 743 C LYS A 48 5.583 -9.074 -1.077 1.00 0.00 C ATOM 744 O LYS A 48 6.477 -8.525 -1.714 1.00 0.00 O ATOM 745 CB LYS A 48 3.684 -8.262 -2.565 1.00 0.00 C ATOM 746 CG LYS A 48 3.531 -9.544 -3.394 1.00 0.00 C ATOM 747 CD LYS A 48 4.319 -9.553 -4.718 1.00 0.00 C ATOM 748 CE LYS A 48 5.816 -9.661 -4.440 1.00 0.00 C ATOM 749 NZ LYS A 48 6.636 -9.856 -5.652 1.00 0.00 N ATOM 0 H LYS A 48 4.316 -6.428 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 48 3.559 -9.257 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.723 -7.749 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.382 -7.595 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.853 -10.392 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.474 -9.693 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.995 -10.390 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.111 -8.642 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.147 -8.756 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.990 -10.493 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.613 -9.555 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.629 -10.861 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.244 -9.289 -6.431 1.00 0.00 H new ATOM 763 N GLU A 49 5.773 -10.130 -0.297 1.00 0.00 N ATOM 764 CA GLU A 49 7.011 -10.894 -0.239 1.00 0.00 C ATOM 765 C GLU A 49 6.805 -12.004 -1.286 1.00 0.00 C ATOM 766 O GLU A 49 5.666 -12.315 -1.661 1.00 0.00 O ATOM 767 CB GLU A 49 7.217 -11.480 1.165 1.00 0.00 C ATOM 768 CG GLU A 49 8.590 -12.135 1.412 1.00 0.00 C ATOM 769 CD GLU A 49 9.734 -11.142 1.589 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.042 -10.385 0.643 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.305 -11.083 2.707 1.00 0.00 O ATOM 0 H GLU A 49 5.051 -10.488 0.329 1.00 0.00 H new ATOM 0 HA GLU A 49 7.897 -10.292 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.076 -10.685 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.441 -12.223 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.526 -12.761 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.822 -12.793 0.575 1.00 0.00 H new ATOM 778 N GLU A 50 7.873 -12.598 -1.798 1.00 0.00 N ATOM 779 CA GLU A 50 7.792 -13.593 -2.857 1.00 0.00 C ATOM 780 C GLU A 50 8.844 -14.671 -2.618 1.00 0.00 C ATOM 781 O GLU A 50 9.867 -14.423 -1.971 1.00 0.00 O ATOM 782 CB GLU A 50 7.895 -12.832 -4.187 1.00 0.00 C ATOM 783 CG GLU A 50 8.192 -13.644 -5.450 1.00 0.00 C ATOM 784 CD GLU A 50 8.263 -12.708 -6.654 1.00 0.00 C ATOM 785 OE1 GLU A 50 7.204 -12.192 -7.088 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.390 -12.404 -7.109 1.00 0.00 O ATOM 0 H GLU A 50 8.825 -12.402 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 50 6.850 -14.141 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.956 -12.301 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.675 -12.078 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.134 -14.180 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.416 -14.393 -5.604 1.00 0.00 H new ATOM 793 N SER A 51 8.576 -15.862 -3.139 1.00 0.00 N ATOM 794 CA SER A 51 9.436 -17.029 -3.155 1.00 0.00 C ATOM 795 C SER A 51 9.700 -17.392 -4.620 1.00 0.00 C ATOM 796 O SER A 51 9.115 -16.799 -5.525 1.00 0.00 O ATOM 797 CB SER A 51 8.737 -18.187 -2.435 1.00 0.00 C ATOM 798 OG SER A 51 8.219 -17.814 -1.169 1.00 0.00 O ATOM 0 H SER A 51 7.682 -16.046 -3.595 1.00 0.00 H new ATOM 0 HA SER A 51 10.378 -16.827 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.925 -18.560 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.443 -19.008 -2.306 1.00 0.00 H new ATOM 0 HG SER A 51 7.783 -18.587 -0.753 1.00 0.00 H new ATOM 804 N ASP A 52 10.525 -18.409 -4.859 1.00 0.00 N ATOM 805 CA ASP A 52 10.865 -18.880 -6.202 1.00 0.00 C ATOM 806 C ASP A 52 9.612 -19.192 -7.030 1.00 0.00 C ATOM 807 O ASP A 52 9.585 -18.948 -8.239 1.00 0.00 O ATOM 808 CB ASP A 52 11.723 -20.149 -6.113 1.00 0.00 C ATOM 809 CG ASP A 52 13.152 -19.886 -5.638 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.991 -19.383 -6.421 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.437 -20.161 -4.450 1.00 0.00 O ATOM 0 H ASP A 52 10.983 -18.937 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 52 11.418 -18.080 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.246 -20.854 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.756 -20.625 -7.093 1.00 0.00 H new ATOM 816 N ASN A 53 8.570 -19.731 -6.389 1.00 0.00 N ATOM 817 CA ASN A 53 7.348 -20.208 -7.033 1.00 0.00 C ATOM 818 C ASN A 53 6.066 -19.717 -6.349 1.00 0.00 C ATOM 819 O ASN A 53 4.979 -20.171 -6.716 1.00 0.00 O ATOM 820 CB ASN A 53 7.367 -21.747 -7.043 1.00 0.00 C ATOM 821 CG ASN A 53 8.540 -22.311 -7.823 1.00 0.00 C ATOM 822 OD1 ASN A 53 8.494 -22.383 -9.047 1.00 0.00 O ATOM 823 ND2 ASN A 53 9.602 -22.730 -7.156 1.00 0.00 N ATOM 0 H ASN A 53 8.556 -19.850 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 53 7.333 -19.802 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.408 -22.113 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.437 -22.115 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.399 -23.120 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.624 -22.663 -6.138 1.00 0.00 H new ATOM 830 N ALA A 54 6.135 -18.853 -5.333 1.00 0.00 N ATOM 831 CA ALA A 54 4.968 -18.442 -4.555 1.00 0.00 C ATOM 832 C ALA A 54 5.064 -16.966 -4.193 1.00 0.00 C ATOM 833 O ALA A 54 6.098 -16.338 -4.402 1.00 0.00 O ATOM 834 CB ALA A 54 4.862 -19.319 -3.297 1.00 0.00 C ATOM 0 H ALA A 54 7.006 -18.418 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 54 4.066 -18.576 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.993 -19.015 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.756 -20.364 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.762 -19.201 -2.694 1.00 0.00 H new ATOM 840 N VAL A 55 3.989 -16.411 -3.635 1.00 0.00 N ATOM 841 CA VAL A 55 3.902 -15.034 -3.203 1.00 0.00 C ATOM 842 C VAL A 55 3.206 -15.063 -1.839 1.00 0.00 C ATOM 843 O VAL A 55 2.285 -15.840 -1.603 1.00 0.00 O ATOM 844 CB VAL A 55 3.191 -14.201 -4.291 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.037 -12.747 -3.857 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.993 -14.159 -5.606 1.00 0.00 C ATOM 0 H VAL A 55 3.129 -16.934 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 55 4.868 -14.546 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 55 2.226 -14.685 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.533 -12.184 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.447 -12.701 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.021 -12.315 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.454 -13.562 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.970 -13.713 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.123 -15.172 -5.986 1.00 0.00 H new ATOM 856 N CYS A 56 3.660 -14.233 -0.914 1.00 0.00 N ATOM 857 CA CYS A 56 3.131 -14.097 0.439 1.00 0.00 C ATOM 858 C CYS A 56 2.870 -12.624 0.730 1.00 0.00 C ATOM 859 O CYS A 56 3.808 -11.844 0.878 1.00 0.00 O ATOM 860 CB CYS A 56 4.098 -14.686 1.476 1.00 0.00 C ATOM 861 SG CYS A 56 4.205 -16.492 1.316 1.00 0.00 S ATOM 0 H CYS A 56 4.444 -13.605 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 56 2.197 -14.654 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.087 -14.247 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.763 -14.426 2.480 1.00 0.00 H new ATOM 0 HG CYS A 56 5.031 -16.958 2.205 1.00 0.00 H new ATOM 867 N LEU A 57 1.605 -12.223 0.812 1.00 0.00 N ATOM 868 CA LEU A 57 1.227 -10.875 1.213 1.00 0.00 C ATOM 869 C LEU A 57 1.256 -10.774 2.731 1.00 0.00 C ATOM 870 O LEU A 57 0.392 -11.327 3.407 1.00 0.00 O ATOM 871 CB LEU A 57 -0.153 -10.495 0.659 1.00 0.00 C ATOM 872 CG LEU A 57 -0.038 -9.903 -0.751 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.397 -9.788 -1.431 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.549 -8.493 -0.722 1.00 0.00 C ATOM 0 H LEU A 57 0.811 -12.828 0.601 1.00 0.00 H new ATOM 0 HA LEU A 57 1.944 -10.168 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.794 -11.376 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.628 -9.773 1.322 1.00 0.00 H new ATOM 0 HG LEU A 57 0.611 -10.586 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.271 -9.364 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.848 -10.777 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.045 -9.140 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.616 -8.106 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.094 -7.844 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.544 -8.522 -0.279 1.00 0.00 H new ATOM 886 N HIS A 58 2.258 -10.081 3.262 1.00 0.00 N ATOM 887 CA HIS A 58 2.415 -9.779 4.679 1.00 0.00 C ATOM 888 C HIS A 58 1.454 -8.645 5.044 1.00 0.00 C ATOM 889 O HIS A 58 1.768 -7.477 4.817 1.00 0.00 O ATOM 890 CB HIS A 58 3.874 -9.395 4.940 1.00 0.00 C ATOM 891 CG HIS A 58 4.859 -10.542 4.940 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.721 -10.862 5.968 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.151 -11.363 3.887 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.527 -11.846 5.536 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.179 -12.195 4.288 1.00 0.00 N ATOM 0 H HIS A 58 3.013 -9.699 2.693 1.00 0.00 H new ATOM 0 HA HIS A 58 2.176 -10.643 5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.183 -8.674 4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.932 -8.890 5.904 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.743 -10.429 6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.668 -11.362 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.331 -12.288 6.105 1.00 0.00 H new ATOM 904 N LEU A 59 0.261 -8.992 5.522 1.00 0.00 N ATOM 905 CA LEU A 59 -0.856 -8.128 5.874 1.00 0.00 C ATOM 906 C LEU A 59 -0.747 -7.667 7.321 1.00 0.00 C ATOM 907 O LEU A 59 -0.557 -8.494 8.213 1.00 0.00 O ATOM 908 CB LEU A 59 -2.157 -8.941 5.709 1.00 0.00 C ATOM 909 CG LEU A 59 -3.468 -8.145 5.910 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.212 -7.932 4.589 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.400 -8.930 6.834 1.00 0.00 C ATOM 0 H LEU A 59 0.035 -9.973 5.686 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.852 -7.250 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.167 -9.379 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.141 -9.767 6.420 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.198 -7.177 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.127 -7.369 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.577 -7.376 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.463 -8.899 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.325 -8.372 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.626 -9.898 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.914 -9.081 7.798 1.00 0.00 H new ATOM 923 N ARG A 60 -0.939 -6.366 7.554 1.00 0.00 N ATOM 924 CA ARG A 60 -1.003 -5.784 8.893 1.00 0.00 C ATOM 925 C ARG A 60 -2.108 -6.519 9.643 1.00 0.00 C ATOM 926 O ARG A 60 -3.243 -6.555 9.155 1.00 0.00 O ATOM 927 CB ARG A 60 -1.324 -4.278 8.801 1.00 0.00 C ATOM 928 CG ARG A 60 -0.218 -3.439 8.133 1.00 0.00 C ATOM 929 CD ARG A 60 0.692 -2.763 9.166 1.00 0.00 C ATOM 930 NE ARG A 60 1.951 -2.293 8.559 1.00 0.00 N ATOM 931 CZ ARG A 60 2.702 -1.244 8.910 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.289 -0.392 9.836 1.00 0.00 N ATOM 933 NH2 ARG A 60 3.885 -1.064 8.330 1.00 0.00 N ATOM 0 H ARG A 60 -1.056 -5.681 6.808 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.050 -5.887 9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.251 -4.148 8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.501 -3.893 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.381 -4.079 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.673 -2.679 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.168 -1.920 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.915 -3.465 9.969 1.00 0.00 H new ATOM 0 HE ARG A 60 2.293 -2.839 7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.387 -0.532 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.873 0.404 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.212 -1.723 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.465 -0.267 8.591 1.00 0.00 H new ATOM 947 N SER A 61 -1.831 -7.081 10.820 1.00 0.00 N ATOM 948 CA SER A 61 -2.845 -7.812 11.570 1.00 0.00 C ATOM 949 C SER A 61 -3.996 -6.878 11.987 1.00 0.00 C ATOM 950 O SER A 61 -5.115 -7.343 12.205 1.00 0.00 O ATOM 951 CB SER A 61 -2.198 -8.570 12.736 1.00 0.00 C ATOM 952 OG SER A 61 -2.924 -9.752 13.011 1.00 0.00 O ATOM 0 H SER A 61 -0.917 -7.043 11.270 1.00 0.00 H new ATOM 0 HA SER A 61 -3.301 -8.569 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.165 -8.817 12.490 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.172 -7.936 13.622 1.00 0.00 H new ATOM 0 HG SER A 61 -2.502 -10.229 13.756 1.00 0.00 H new ATOM 958 N SER A 62 -3.804 -5.553 11.958 1.00 0.00 N ATOM 959 CA SER A 62 -4.829 -4.535 12.193 1.00 0.00 C ATOM 960 C SER A 62 -5.983 -4.654 11.188 1.00 0.00 C ATOM 961 O SER A 62 -7.047 -4.061 11.359 1.00 0.00 O ATOM 962 CB SER A 62 -4.206 -3.143 12.014 1.00 0.00 C ATOM 963 OG SER A 62 -2.827 -3.112 12.328 1.00 0.00 O ATOM 0 H SER A 62 -2.889 -5.146 11.761 1.00 0.00 H new ATOM 0 HA SER A 62 -5.213 -4.680 13.203 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.346 -2.818 10.983 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.734 -2.430 12.648 1.00 0.00 H new ATOM 0 HG SER A 62 -2.482 -2.205 12.195 1.00 0.00 H new ATOM 969 N GLN A 63 -5.749 -5.381 10.096 1.00 0.00 N ATOM 970 CA GLN A 63 -6.643 -5.566 8.969 1.00 0.00 C ATOM 971 C GLN A 63 -6.888 -7.055 8.706 1.00 0.00 C ATOM 972 O GLN A 63 -7.480 -7.397 7.680 1.00 0.00 O ATOM 973 CB GLN A 63 -6.060 -4.815 7.761 1.00 0.00 C ATOM 974 CG GLN A 63 -6.069 -3.290 7.967 1.00 0.00 C ATOM 975 CD GLN A 63 -7.470 -2.683 7.944 1.00 0.00 C ATOM 976 OE1 GLN A 63 -7.982 -2.319 6.886 1.00 0.00 O ATOM 977 NE2 GLN A 63 -8.115 -2.546 9.091 1.00 0.00 N ATOM 0 H GLN A 63 -4.871 -5.886 9.974 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.627 -5.147 9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.038 -5.150 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.635 -5.063 6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.596 -3.057 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.466 -2.822 7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.679 -2.852 9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.048 -2.134 9.105 1.00 0.00 H new ATOM 986 N ARG A 64 -6.527 -7.955 9.639 1.00 0.00 N ATOM 987 CA ARG A 64 -6.729 -9.395 9.462 1.00 0.00 C ATOM 988 C ARG A 64 -8.218 -9.691 9.248 1.00 0.00 C ATOM 989 O ARG A 64 -8.529 -10.610 8.505 1.00 0.00 O ATOM 990 CB ARG A 64 -6.126 -10.183 10.645 1.00 0.00 C ATOM 991 CG ARG A 64 -5.445 -11.502 10.242 1.00 0.00 C ATOM 992 CD ARG A 64 -6.422 -12.641 9.919 1.00 0.00 C ATOM 993 NE ARG A 64 -5.725 -13.892 9.574 1.00 0.00 N ATOM 994 CZ ARG A 64 -5.043 -14.711 10.385 1.00 0.00 C ATOM 995 NH1 ARG A 64 -4.970 -14.491 11.692 1.00 0.00 N ATOM 996 NH2 ARG A 64 -4.416 -15.759 9.875 1.00 0.00 N ATOM 0 H ARG A 64 -6.092 -7.703 10.526 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.200 -9.729 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.398 -9.552 11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.917 -10.400 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.815 -11.321 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.788 -11.821 11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.072 -12.814 10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.063 -12.343 9.089 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.767 -14.170 8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.440 -13.683 12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.444 -15.130 12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.455 -15.938 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.894 -16.388 10.485 1.00 0.00 H new ATOM 1010 N HIS A 65 -9.132 -8.861 9.774 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.572 -8.966 9.522 1.00 0.00 C ATOM 1012 C HIS A 65 -10.885 -9.100 8.030 1.00 0.00 C ATOM 1013 O HIS A 65 -11.792 -9.841 7.652 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.302 -7.712 10.028 1.00 0.00 C ATOM 1015 CG HIS A 65 -11.167 -7.420 11.498 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -11.784 -8.131 12.507 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -10.578 -6.311 12.045 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -11.576 -7.462 13.656 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -10.844 -6.363 13.399 1.00 0.00 N ATOM 0 H HIS A 65 -8.885 -8.089 10.394 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.910 -9.858 10.050 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.933 -6.851 9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.362 -7.813 9.793 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.018 -5.549 11.523 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.939 -7.760 14.629 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.536 -5.680 14.091 1.00 0.00 H new ATOM 1028 N LEU A 66 -10.193 -8.336 7.177 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.470 -8.313 5.745 1.00 0.00 C ATOM 1030 C LEU A 66 -9.774 -9.492 5.055 1.00 0.00 C ATOM 1031 O LEU A 66 -10.261 -9.976 4.032 1.00 0.00 O ATOM 1032 CB LEU A 66 -10.042 -6.978 5.101 1.00 0.00 C ATOM 1033 CG LEU A 66 -10.648 -5.658 5.640 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -12.077 -5.763 6.184 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -9.769 -5.043 6.731 1.00 0.00 C ATOM 0 H LEU A 66 -9.431 -7.721 7.462 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.548 -8.407 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.958 -6.903 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.273 -7.036 4.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.689 -5.021 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.405 -4.785 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.743 -6.107 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.100 -6.472 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.224 -4.118 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.675 -5.744 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.781 -4.828 6.324 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.641 -9.959 5.598 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.917 -11.144 5.140 1.00 0.00 C ATOM 1049 C ASN A 67 -8.751 -12.378 5.437 1.00 0.00 C ATOM 1050 O ASN A 67 -8.741 -12.943 6.526 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.517 -11.221 5.754 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.867 -12.602 5.879 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.104 -12.821 6.813 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -6.064 -13.541 4.964 1.00 0.00 N ATOM 0 H ASN A 67 -8.192 -9.505 6.393 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.764 -11.082 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.855 -10.592 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.564 -10.781 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.582 -14.437 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.697 -13.368 4.183 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.491 -12.757 4.411 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.300 -13.965 4.327 1.00 0.00 C ATOM 1063 C ASN A 68 -10.002 -14.658 2.994 1.00 0.00 C ATOM 1064 O ASN A 68 -9.512 -14.005 2.062 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.788 -13.637 4.494 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.412 -13.080 3.225 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -13.093 -13.796 2.500 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -12.169 -11.826 2.887 1.00 0.00 N ATOM 0 H ASN A 68 -9.548 -12.197 3.561 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.045 -14.647 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.323 -14.539 4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.908 -12.914 5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.549 -11.449 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.602 -11.235 3.494 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.335 -15.947 2.860 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.043 -16.678 1.627 1.00 0.00 C ATOM 1077 C ARG A 69 -10.808 -16.115 0.437 1.00 0.00 C ATOM 1078 O ARG A 69 -10.263 -16.136 -0.655 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.328 -18.180 1.713 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.323 -19.006 2.534 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.360 -20.507 2.189 1.00 0.00 C ATOM 1082 NE ARG A 69 -10.718 -21.082 2.220 1.00 0.00 N ATOM 1083 CZ ARG A 69 -11.569 -21.216 1.194 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -11.219 -20.867 -0.039 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -12.790 -21.680 1.418 1.00 0.00 N ATOM 0 H ARG A 69 -10.801 -16.497 3.581 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.971 -16.543 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.320 -18.318 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.360 -18.583 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.317 -18.623 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.535 -18.877 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.933 -20.655 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.728 -21.049 2.892 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.047 -21.416 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.288 -20.490 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.881 -20.977 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.074 -21.931 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.445 -21.786 0.644 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.018 -15.584 0.616 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.778 -14.987 -0.474 1.00 0.00 C ATOM 1101 C GLY A 70 -11.995 -13.845 -1.113 1.00 0.00 C ATOM 1102 O GLY A 70 -11.929 -13.750 -2.340 1.00 0.00 O ATOM 0 H GLY A 70 -12.494 -15.557 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.004 -15.745 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.732 -14.616 -0.099 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.358 -13.002 -0.290 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.484 -11.958 -0.799 1.00 0.00 C ATOM 1108 C ALA A 71 -9.279 -12.582 -1.501 1.00 0.00 C ATOM 1109 O ALA A 71 -8.994 -12.225 -2.643 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.055 -10.994 0.316 1.00 0.00 C ATOM 0 H ALA A 71 -11.436 -13.029 0.727 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.037 -11.368 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.402 -10.226 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.938 -10.525 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.520 -11.546 1.089 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.596 -13.525 -0.842 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.446 -14.229 -1.402 1.00 0.00 C ATOM 1118 C GLN A 72 -7.772 -14.854 -2.758 1.00 0.00 C ATOM 1119 O GLN A 72 -6.910 -14.842 -3.624 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.934 -15.267 -0.390 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.676 -16.053 -0.817 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.959 -17.297 -1.671 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.096 -17.739 -1.817 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.930 -17.913 -2.222 1.00 0.00 N ATOM 0 H GLN A 72 -8.832 -13.821 0.105 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.648 -13.510 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.720 -14.757 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.735 -15.979 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.019 -15.386 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.133 -16.358 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.988 -17.542 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.077 -18.760 -2.772 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.996 -15.336 -2.973 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.430 -16.008 -4.188 1.00 0.00 C ATOM 1135 C GLN A 73 -9.333 -15.032 -5.360 1.00 0.00 C ATOM 1136 O GLN A 73 -8.709 -15.326 -6.383 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.884 -16.515 -4.007 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.144 -17.925 -4.547 1.00 0.00 C ATOM 1139 CD GLN A 73 -10.709 -19.034 -3.593 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -11.123 -19.089 -2.435 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -9.876 -19.956 -4.037 1.00 0.00 N ATOM 0 H GLN A 73 -9.737 -15.264 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.791 -16.867 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.131 -16.496 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.561 -15.820 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.208 -18.034 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.618 -18.045 -5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.531 -19.913 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.577 -20.712 -3.421 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.951 -13.857 -5.217 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.956 -12.860 -6.283 1.00 0.00 C ATOM 1152 C LYS A 74 -8.570 -12.238 -6.438 1.00 0.00 C ATOM 1153 O LYS A 74 -8.186 -11.865 -7.549 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.041 -11.799 -6.013 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.496 -11.061 -7.283 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.355 -11.938 -8.200 1.00 0.00 C ATOM 1157 CE LYS A 74 -12.507 -11.275 -9.571 1.00 0.00 C ATOM 1158 NZ LYS A 74 -12.994 -12.235 -10.581 1.00 0.00 N ATOM 0 H LYS A 74 -10.452 -13.576 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.200 -13.345 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.903 -12.280 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.659 -11.073 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.063 -10.174 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.620 -10.717 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.896 -12.920 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.336 -12.094 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.201 -10.438 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.548 -10.866 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.683 -11.932 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.609 -13.179 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.033 -12.271 -10.553 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.807 -12.131 -5.347 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.425 -11.674 -5.400 1.00 0.00 C ATOM 1174 C LEU A 75 -5.584 -12.691 -6.181 1.00 0.00 C ATOM 1175 O LEU A 75 -4.730 -12.293 -6.968 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.861 -11.464 -3.978 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.147 -10.118 -3.753 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.722 -10.040 -2.282 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.968 -9.808 -4.686 1.00 0.00 C ATOM 0 H LEU A 75 -8.133 -12.359 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.385 -10.713 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.679 -11.548 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.161 -12.270 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.871 -9.345 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.213 -9.093 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.604 -10.107 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.046 -10.864 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.548 -8.835 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.202 -10.575 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.316 -9.793 -5.719 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.812 -13.994 -5.977 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.016 -15.069 -6.558 1.00 0.00 C ATOM 1193 C ALA A 76 -5.261 -15.140 -8.052 1.00 0.00 C ATOM 1194 O ALA A 76 -4.306 -15.297 -8.805 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.335 -16.412 -5.890 1.00 0.00 C ATOM 0 H ALA A 76 -6.574 -14.332 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.962 -14.855 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.728 -17.196 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.114 -16.350 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.391 -16.645 -6.028 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.514 -14.986 -8.478 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.898 -14.902 -9.881 1.00 0.00 C ATOM 1203 C GLU A 77 -6.143 -13.756 -10.553 1.00 0.00 C ATOM 1204 O GLU A 77 -5.644 -13.919 -11.666 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.421 -14.671 -9.933 1.00 0.00 C ATOM 1206 CG GLU A 77 -9.014 -14.548 -11.346 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.483 -14.103 -11.325 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.221 -14.364 -10.350 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.951 -13.436 -12.275 1.00 0.00 O ATOM 0 H GLU A 77 -7.307 -14.915 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.647 -15.819 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.916 -15.495 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.654 -13.763 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.428 -13.832 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.935 -15.508 -11.856 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.052 -12.608 -9.873 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.378 -11.426 -10.376 1.00 0.00 C ATOM 1218 C ALA A 78 -3.868 -11.650 -10.459 1.00 0.00 C ATOM 1219 O ALA A 78 -3.298 -11.481 -11.529 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.750 -10.216 -9.516 1.00 0.00 C ATOM 0 H ALA A 78 -6.454 -12.481 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.712 -11.223 -11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.242 -9.330 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.828 -10.061 -9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.445 -10.395 -8.485 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.200 -12.065 -9.377 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.761 -12.331 -9.420 1.00 0.00 C ATOM 1228 C LEU A 79 -1.431 -13.434 -10.435 1.00 0.00 C ATOM 1229 O LEU A 79 -0.400 -13.363 -11.096 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.227 -12.667 -8.015 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.172 -11.652 -7.528 1.00 0.00 C ATOM 1232 CD1 LEU A 79 0.021 -11.820 -6.024 1.00 0.00 C ATOM 1233 CD2 LEU A 79 1.177 -11.812 -8.243 1.00 0.00 C ATOM 0 H LEU A 79 -3.631 -12.223 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.256 -11.425 -9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.058 -12.690 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.789 -13.665 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.540 -10.653 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.765 -11.106 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.925 -11.640 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.361 -12.834 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.881 -11.073 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.568 -12.813 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.041 -11.664 -9.314 1.00 0.00 H new ATOM 1245 N SER A 80 -2.315 -14.420 -10.606 1.00 0.00 N ATOM 1246 CA SER A 80 -2.190 -15.460 -11.621 1.00 0.00 C ATOM 1247 C SER A 80 -2.330 -14.894 -13.038 1.00 0.00 C ATOM 1248 O SER A 80 -1.686 -15.392 -13.962 1.00 0.00 O ATOM 1249 CB SER A 80 -3.272 -16.515 -11.387 1.00 0.00 C ATOM 1250 OG SER A 80 -3.045 -17.244 -10.193 1.00 0.00 O ATOM 0 H SER A 80 -3.152 -14.517 -10.031 1.00 0.00 H new ATOM 0 HA SER A 80 -1.197 -15.901 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.247 -16.031 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.299 -17.202 -12.233 1.00 0.00 H new ATOM 0 HG SER A 80 -3.420 -16.752 -9.433 1.00 0.00 H new ATOM 1256 N MET A 81 -3.166 -13.874 -13.244 1.00 0.00 N ATOM 1257 CA MET A 81 -3.293 -13.177 -14.518 1.00 0.00 C ATOM 1258 C MET A 81 -2.019 -12.372 -14.771 1.00 0.00 C ATOM 1259 O MET A 81 -1.419 -12.496 -15.837 1.00 0.00 O ATOM 1260 CB MET A 81 -4.582 -12.336 -14.528 1.00 0.00 C ATOM 1261 CG MET A 81 -4.630 -11.309 -15.661 1.00 0.00 C ATOM 1262 SD MET A 81 -4.306 -11.934 -17.329 1.00 0.00 S ATOM 1263 CE MET A 81 -3.302 -10.538 -17.904 1.00 0.00 C ATOM 0 H MET A 81 -3.781 -13.507 -12.518 1.00 0.00 H new ATOM 0 HA MET A 81 -3.391 -13.879 -15.346 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.441 -13.002 -14.615 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.676 -11.818 -13.574 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.615 -10.842 -15.657 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.904 -10.526 -15.443 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.987 -10.715 -18.932 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.892 -9.622 -17.858 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.423 -10.436 -17.268 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.557 -11.605 -13.784 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.346 -10.800 -13.864 1.00 0.00 C ATOM 1275 C LEU A 82 0.848 -11.682 -14.198 1.00 0.00 C ATOM 1276 O LEU A 82 1.630 -11.344 -15.082 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.157 -10.059 -12.535 1.00 0.00 C ATOM 1278 CG LEU A 82 1.224 -9.414 -12.322 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.522 -8.329 -13.358 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.294 -8.793 -10.925 1.00 0.00 C ATOM 0 H LEU A 82 -2.030 -11.527 -12.884 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.433 -10.062 -14.662 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.916 -9.280 -12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.340 -10.759 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 82 1.968 -10.203 -12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.507 -7.904 -13.166 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.503 -8.765 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.769 -7.544 -13.290 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.273 -8.337 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.521 -8.031 -10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.138 -9.568 -10.174 1.00 0.00 H new ATOM 1292 N LYS A 83 1.015 -12.799 -13.492 1.00 0.00 N ATOM 1293 CA LYS A 83 2.111 -13.729 -13.760 1.00 0.00 C ATOM 1294 C LYS A 83 1.908 -14.407 -15.111 1.00 0.00 C ATOM 1295 O LYS A 83 2.861 -14.549 -15.876 1.00 0.00 O ATOM 1296 CB LYS A 83 2.209 -14.769 -12.629 1.00 0.00 C ATOM 1297 CG LYS A 83 3.551 -15.528 -12.594 1.00 0.00 C ATOM 1298 CD LYS A 83 4.674 -14.626 -12.062 1.00 0.00 C ATOM 1299 CE LYS A 83 5.986 -15.375 -11.808 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.001 -14.453 -11.259 1.00 0.00 N ATOM 0 H LYS A 83 0.403 -13.083 -12.727 1.00 0.00 H new ATOM 0 HA LYS A 83 3.049 -13.175 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.062 -14.267 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.398 -15.489 -12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.458 -16.411 -11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.803 -15.877 -13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.855 -13.823 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.346 -14.158 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.816 -16.196 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.348 -15.815 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.886 -14.972 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.174 -13.684 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.658 -14.053 -10.362 1.00 0.00 H new ATOM 1314 N GLY A 84 0.673 -14.807 -15.406 1.00 0.00 N ATOM 1315 CA GLY A 84 0.306 -15.588 -16.575 1.00 0.00 C ATOM 1316 C GLY A 84 0.446 -17.087 -16.286 1.00 0.00 C ATOM 1317 O GLY A 84 0.259 -17.907 -17.187 1.00 0.00 O ATOM 0 H GLY A 84 -0.126 -14.585 -14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.721 -15.362 -16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.941 -15.313 -17.417 1.00 0.00 H new ATOM 1321 N SER A 85 0.771 -17.457 -15.043 1.00 0.00 N ATOM 1322 CA SER A 85 0.993 -18.806 -14.543 1.00 0.00 C ATOM 1323 C SER A 85 0.394 -18.921 -13.137 1.00 0.00 C ATOM 1324 O SER A 85 0.018 -17.913 -12.537 1.00 0.00 O ATOM 1325 CB SER A 85 2.498 -19.106 -14.582 1.00 0.00 C ATOM 1326 OG SER A 85 2.945 -19.128 -15.929 1.00 0.00 O ATOM 0 H SER A 85 0.894 -16.761 -14.307 1.00 0.00 H new ATOM 0 HA SER A 85 0.497 -19.551 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.045 -18.349 -14.019 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.700 -20.065 -14.106 1.00 0.00 H new ATOM 0 HG SER A 85 3.906 -19.318 -15.952 1.00 0.00 H new ATOM 1332 N THR A 86 0.285 -20.140 -12.613 1.00 0.00 N ATOM 1333 CA THR A 86 -0.236 -20.396 -11.279 1.00 0.00 C ATOM 1334 C THR A 86 0.761 -19.853 -10.248 1.00 0.00 C ATOM 1335 O THR A 86 1.933 -20.240 -10.235 1.00 0.00 O ATOM 1336 CB THR A 86 -0.496 -21.905 -11.134 1.00 0.00 C ATOM 1337 OG1 THR A 86 -1.536 -22.304 -12.013 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.933 -22.315 -9.728 1.00 0.00 C ATOM 0 H THR A 86 0.560 -20.986 -13.112 1.00 0.00 H new ATOM 0 HA THR A 86 -1.184 -19.886 -11.109 1.00 0.00 H new ATOM 0 HB THR A 86 0.454 -22.387 -11.364 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.695 -23.266 -11.916 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.099 -23.392 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.155 -22.048 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.857 -21.798 -9.469 1.00 0.00 H new ATOM 1346 N VAL A 87 0.289 -18.967 -9.376 1.00 0.00 N ATOM 1347 CA VAL A 87 1.026 -18.406 -8.249 1.00 0.00 C ATOM 1348 C VAL A 87 0.369 -18.947 -6.982 1.00 0.00 C ATOM 1349 O VAL A 87 -0.857 -19.077 -6.934 1.00 0.00 O ATOM 1350 CB VAL A 87 0.940 -16.862 -8.302 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.702 -16.211 -7.141 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.501 -16.289 -9.608 1.00 0.00 C ATOM 0 H VAL A 87 -0.662 -18.604 -9.439 1.00 0.00 H new ATOM 0 HA VAL A 87 2.080 -18.681 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.123 -16.631 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.618 -15.127 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.278 -16.546 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.753 -16.498 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.417 -15.202 -9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.549 -16.571 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.936 -16.686 -10.452 1.00 0.00 H new ATOM 1362 N GLU A 88 1.152 -19.257 -5.947 1.00 0.00 N ATOM 1363 CA GLU A 88 0.588 -19.642 -4.665 1.00 0.00 C ATOM 1364 C GLU A 88 0.623 -18.359 -3.862 1.00 0.00 C ATOM 1365 O GLU A 88 1.603 -18.057 -3.184 1.00 0.00 O ATOM 1366 CB GLU A 88 1.353 -20.807 -4.026 1.00 0.00 C ATOM 1367 CG GLU A 88 0.741 -22.119 -4.527 1.00 0.00 C ATOM 1368 CD GLU A 88 1.262 -23.350 -3.795 1.00 0.00 C ATOM 1369 OE1 GLU A 88 1.418 -23.314 -2.550 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.400 -24.412 -4.441 1.00 0.00 O ATOM 0 H GLU A 88 2.172 -19.247 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.426 -20.035 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.410 -20.757 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.292 -20.750 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.342 -22.071 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.948 -22.224 -5.592 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.426 -17.557 -4.035 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.612 -16.303 -3.337 1.00 0.00 C ATOM 1379 C LEU A 89 -1.145 -16.618 -1.949 1.00 0.00 C ATOM 1380 O LEU A 89 -2.266 -17.100 -1.791 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.556 -15.398 -4.124 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.087 -14.226 -3.285 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.063 -13.278 -2.668 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -2.954 -13.384 -4.190 1.00 0.00 C ATOM 0 H LEU A 89 -1.184 -17.774 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 89 0.331 -15.764 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.035 -15.007 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.396 -15.987 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.590 -14.699 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.580 -12.501 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.407 -13.836 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.469 -12.819 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.352 -12.538 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.359 -13.017 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.779 -13.988 -4.569 1.00 0.00 H new ATOM 1396 N THR A 90 -0.335 -16.320 -0.951 1.00 0.00 N ATOM 1397 CA THR A 90 -0.556 -16.611 0.444 1.00 0.00 C ATOM 1398 C THR A 90 -0.785 -15.267 1.131 1.00 0.00 C ATOM 1399 O THR A 90 -0.290 -14.247 0.647 1.00 0.00 O ATOM 1400 CB THR A 90 0.698 -17.339 0.981 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.361 -18.107 -0.022 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.341 -18.275 2.132 1.00 0.00 C ATOM 0 H THR A 90 0.550 -15.838 -1.108 1.00 0.00 H new ATOM 0 HA THR A 90 -1.416 -17.256 0.624 1.00 0.00 H new ATOM 0 HB THR A 90 1.369 -16.551 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.826 -17.506 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.242 -18.773 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.102 -17.700 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.373 -19.022 1.785 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.494 -15.238 2.254 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.667 -14.043 3.063 1.00 0.00 C ATOM 1412 C ILE A 91 -1.107 -14.449 4.426 1.00 0.00 C ATOM 1413 O ILE A 91 -1.473 -15.503 4.959 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.145 -13.580 3.141 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.006 -13.767 1.866 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.193 -12.107 3.590 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.660 -12.873 0.669 1.00 0.00 C ATOM 0 H ILE A 91 -1.971 -16.057 2.631 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.155 -13.178 2.641 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.603 -14.251 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.925 -14.807 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.049 -13.594 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.230 -11.777 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.728 -12.010 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.655 -11.490 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.331 -13.098 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.772 -11.826 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.631 -13.058 0.362 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.196 -13.654 4.972 1.00 0.00 N ATOM 1430 CA VAL A 92 0.365 -13.871 6.297 1.00 0.00 C ATOM 1431 C VAL A 92 0.176 -12.609 7.120 1.00 0.00 C ATOM 1432 O VAL A 92 0.262 -11.503 6.600 1.00 0.00 O ATOM 1433 CB VAL A 92 1.824 -14.359 6.241 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.947 -15.683 5.474 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.814 -13.353 5.634 1.00 0.00 C ATOM 0 H VAL A 92 0.178 -12.830 4.500 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.170 -14.682 6.792 1.00 0.00 H new ATOM 0 HB VAL A 92 2.096 -14.492 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.991 -15.997 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.347 -16.447 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.590 -15.547 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.816 -13.782 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.519 -13.125 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.811 -12.437 6.225 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.109 -12.779 8.399 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.447 -11.719 9.329 1.00 0.00 C ATOM 1447 C GLU A 93 0.849 -11.280 10.007 1.00 0.00 C ATOM 1448 O GLU A 93 1.430 -12.006 10.818 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.595 -12.145 10.267 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.410 -13.402 11.142 1.00 0.00 C ATOM 1451 CD GLU A 93 -1.514 -14.766 10.437 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -1.634 -14.854 9.191 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -1.503 -15.792 11.157 1.00 0.00 O ATOM 0 H GLU A 93 -0.111 -13.701 8.836 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.858 -10.842 8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.806 -11.308 10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.483 -12.297 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.432 -13.341 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.155 -13.374 11.937 1.00 0.00 H new ATOM 1460 N ASP A 94 1.379 -10.143 9.576 1.00 0.00 N ATOM 1461 CA ASP A 94 2.659 -9.563 9.960 1.00 0.00 C ATOM 1462 C ASP A 94 2.438 -8.072 10.059 1.00 0.00 C ATOM 1463 O ASP A 94 2.098 -7.434 9.063 1.00 0.00 O ATOM 1464 CB ASP A 94 3.696 -9.922 8.897 1.00 0.00 C ATOM 1465 CG ASP A 94 5.107 -9.480 9.260 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.350 -8.967 10.371 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.003 -9.758 8.433 1.00 0.00 O ATOM 0 H ASP A 94 0.889 -9.559 8.899 1.00 0.00 H new ATOM 0 HA ASP A 94 3.028 -9.941 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.689 -11.001 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.411 -9.462 7.951 1.00 0.00 H new ATOM 1472 N ASP A 95 2.534 -7.532 11.270 1.00 0.00 N ATOM 1473 CA ASP A 95 2.230 -6.136 11.537 1.00 0.00 C ATOM 1474 C ASP A 95 3.317 -5.278 10.926 1.00 0.00 C ATOM 1475 O ASP A 95 3.065 -4.563 9.961 1.00 0.00 O ATOM 1476 CB ASP A 95 2.085 -5.877 13.039 1.00 0.00 C ATOM 1477 CG ASP A 95 0.798 -6.482 13.583 1.00 0.00 C ATOM 1478 OD1 ASP A 95 -0.285 -6.170 13.041 1.00 0.00 O ATOM 1479 OD2 ASP A 95 0.867 -7.268 14.559 1.00 0.00 O ATOM 0 H ASP A 95 2.826 -8.055 12.095 1.00 0.00 H new ATOM 0 HA ASP A 95 1.273 -5.878 11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.940 -6.300 13.567 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.093 -4.803 13.228 1.00 0.00 H new ATOM 1522 N VAL A 99 9.050 -3.314 7.104 1.00 0.00 N ATOM 1523 CA VAL A 99 8.513 -2.942 5.793 1.00 0.00 C ATOM 1524 C VAL A 99 7.227 -2.129 5.953 1.00 0.00 C ATOM 1525 O VAL A 99 6.548 -2.189 6.985 1.00 0.00 O ATOM 1526 CB VAL A 99 8.284 -4.207 4.923 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.070 -3.876 3.435 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.451 -5.205 4.977 1.00 0.00 C ATOM 0 HA VAL A 99 9.240 -2.313 5.279 1.00 0.00 H new ATOM 0 HB VAL A 99 7.388 -4.651 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.915 -4.799 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.195 -3.235 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.948 -3.360 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.224 -6.065 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.360 -4.722 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.598 -5.537 6.005 1.00 0.00 H new ATOM 1538 N ARG A 100 6.927 -1.346 4.914 1.00 0.00 N ATOM 1539 CA ARG A 100 5.712 -0.569 4.709 1.00 0.00 C ATOM 1540 C ARG A 100 4.659 -1.553 4.178 1.00 0.00 C ATOM 1541 O ARG A 100 4.744 -2.761 4.376 1.00 0.00 O ATOM 1542 CB ARG A 100 6.003 0.520 3.639 1.00 0.00 C ATOM 1543 CG ARG A 100 7.097 1.548 3.942 1.00 0.00 C ATOM 1544 CD ARG A 100 6.848 2.342 5.230 1.00 0.00 C ATOM 1545 NE ARG A 100 7.829 1.980 6.258 1.00 0.00 N ATOM 1546 CZ ARG A 100 8.352 2.799 7.172 1.00 0.00 C ATOM 1547 NH1 ARG A 100 7.791 3.973 7.432 1.00 0.00 N ATOM 1548 NH2 ARG A 100 9.460 2.416 7.794 1.00 0.00 N ATOM 0 H ARG A 100 7.579 -1.233 4.138 1.00 0.00 H new ATOM 0 HA ARG A 100 5.369 -0.085 5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.267 0.014 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.076 1.063 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.056 1.035 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.174 2.242 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.908 3.410 5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.840 2.145 5.596 1.00 0.00 H new ATOM 0 HE ARG A 100 8.141 1.009 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.950 4.258 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.201 4.590 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.887 1.518 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.884 3.020 8.498 1.00 0.00 H new ATOM 1562 N THR A 101 3.640 -1.007 3.549 1.00 0.00 N ATOM 1563 CA THR A 101 2.532 -1.578 2.798 1.00 0.00 C ATOM 1564 C THR A 101 2.388 -0.556 1.644 1.00 0.00 C ATOM 1565 O THR A 101 2.960 0.532 1.751 1.00 0.00 O ATOM 1566 CB THR A 101 1.260 -1.696 3.664 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.832 -0.431 4.116 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.477 -2.575 4.891 1.00 0.00 C ATOM 0 H THR A 101 3.556 0.010 3.553 1.00 0.00 H new ATOM 0 HA THR A 101 2.695 -2.598 2.451 1.00 0.00 H new ATOM 0 HB THR A 101 0.505 -2.149 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.024 -0.534 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.554 -2.628 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.764 -3.578 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.268 -2.149 5.508 1.00 0.00 H new ATOM 1576 N PRO A 102 1.642 -0.780 0.556 1.00 0.00 N ATOM 1577 CA PRO A 102 1.490 0.244 -0.479 1.00 0.00 C ATOM 1578 C PRO A 102 0.758 1.481 0.075 1.00 0.00 C ATOM 1579 O PRO A 102 0.994 2.603 -0.384 1.00 0.00 O ATOM 1580 CB PRO A 102 0.741 -0.446 -1.619 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.055 -1.504 -0.889 1.00 0.00 C ATOM 1582 CD PRO A 102 0.901 -1.965 0.205 1.00 0.00 C ATOM 0 HA PRO A 102 2.445 0.630 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.096 0.247 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.423 -0.882 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.977 -1.099 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.336 -2.324 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.360 -2.364 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.561 -2.756 -0.151 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.102 1.292 1.083 1.00 0.00 N ATOM 1591 CA LEU A 103 -0.780 2.360 1.805 1.00 0.00 C ATOM 1592 C LEU A 103 0.244 3.112 2.660 1.00 0.00 C ATOM 1593 O LEU A 103 0.380 4.327 2.532 1.00 0.00 O ATOM 1594 CB LEU A 103 -1.920 1.740 2.631 1.00 0.00 C ATOM 1595 CG LEU A 103 -2.946 2.743 3.190 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.149 1.970 3.743 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.393 3.636 4.303 1.00 0.00 C ATOM 0 H LEU A 103 -0.348 0.363 1.424 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.224 3.089 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.446 1.016 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.485 1.188 3.464 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.223 3.396 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.881 2.673 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.604 1.385 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.818 1.302 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.173 4.315 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.060 3.016 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.551 4.214 3.922 1.00 0.00 H new ATOM 1609 N GLU A 104 1.010 2.413 3.502 1.00 0.00 N ATOM 1610 CA GLU A 104 2.006 3.065 4.349 1.00 0.00 C ATOM 1611 C GLU A 104 3.159 3.634 3.528 1.00 0.00 C ATOM 1612 O GLU A 104 3.853 4.516 4.024 1.00 0.00 O ATOM 1613 CB GLU A 104 2.525 2.130 5.452 1.00 0.00 C ATOM 1614 CG GLU A 104 1.491 1.925 6.564 1.00 0.00 C ATOM 1615 CD GLU A 104 1.091 3.247 7.234 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.934 3.829 7.955 1.00 0.00 O ATOM 1617 OE2 GLU A 104 -0.065 3.684 7.033 1.00 0.00 O ATOM 0 H GLU A 104 0.958 1.400 3.613 1.00 0.00 H new ATOM 0 HA GLU A 104 1.502 3.899 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.785 1.165 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.439 2.544 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.604 1.447 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.897 1.247 7.315 1.00 0.00 H new ATOM 1624 N TRP A 105 3.372 3.172 2.294 1.00 0.00 N ATOM 1625 CA TRP A 105 4.350 3.731 1.375 1.00 0.00 C ATOM 1626 C TRP A 105 3.866 5.100 0.955 1.00 0.00 C ATOM 1627 O TRP A 105 4.633 6.051 1.011 1.00 0.00 O ATOM 1628 CB TRP A 105 4.557 2.844 0.136 1.00 0.00 C ATOM 1629 CG TRP A 105 5.813 2.045 0.161 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.939 0.703 0.051 1.00 0.00 C ATOM 1631 CD2 TRP A 105 7.165 2.575 0.211 1.00 0.00 C ATOM 1632 NE1 TRP A 105 7.281 0.369 0.091 1.00 0.00 N ATOM 1633 CE2 TRP A 105 8.080 1.493 0.151 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.699 3.877 0.267 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.464 1.702 0.138 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 9.085 4.102 0.203 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.970 3.013 0.139 1.00 0.00 C ATOM 0 H TRP A 105 2.856 2.383 1.904 1.00 0.00 H new ATOM 0 HA TRP A 105 5.313 3.793 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.709 2.165 0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.559 3.475 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 105 5.122 0.004 -0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.635 -0.587 0.078 1.00 0.00 H new ATOM 0 HE3 TRP A 105 7.030 4.720 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 10.140 0.860 0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.469 5.111 0.203 1.00 0.00 H new ATOM 0 HH2 TRP A 105 11.035 3.183 0.091 1.00 0.00 H new ATOM 1648 N ARG A 106 2.597 5.223 0.561 1.00 0.00 N ATOM 1649 CA ARG A 106 2.009 6.522 0.271 1.00 0.00 C ATOM 1650 C ARG A 106 2.181 7.423 1.475 1.00 0.00 C ATOM 1651 O ARG A 106 2.637 8.554 1.346 1.00 0.00 O ATOM 1652 CB ARG A 106 0.534 6.332 -0.106 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.310 7.613 -0.024 1.00 0.00 C ATOM 1654 CD ARG A 106 -1.252 7.622 1.178 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.416 6.760 0.949 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.346 6.476 1.870 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.252 6.942 3.110 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.372 5.722 1.521 1.00 0.00 N ATOM 0 H ARG A 106 1.961 4.436 0.437 1.00 0.00 H new ATOM 0 HA ARG A 106 2.509 6.997 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.478 5.939 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.097 5.580 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.352 8.477 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.894 7.718 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.716 7.285 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.585 8.641 1.375 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.525 6.347 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.461 7.528 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.971 6.714 3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.444 5.369 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.093 5.493 2.206 1.00 0.00 H new ATOM 1672 N GLN A 107 1.805 6.922 2.641 1.00 0.00 N ATOM 1673 CA GLN A 107 1.804 7.736 3.839 1.00 0.00 C ATOM 1674 C GLN A 107 3.237 8.112 4.239 1.00 0.00 C ATOM 1675 O GLN A 107 3.441 9.206 4.766 1.00 0.00 O ATOM 1676 CB GLN A 107 0.999 7.033 4.943 1.00 0.00 C ATOM 1677 CG GLN A 107 0.315 8.033 5.886 1.00 0.00 C ATOM 1678 CD GLN A 107 -0.632 8.999 5.161 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.361 8.612 4.253 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -0.622 10.279 5.492 1.00 0.00 N ATOM 0 H GLN A 107 1.498 5.959 2.780 1.00 0.00 H new ATOM 0 HA GLN A 107 1.301 8.685 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.245 6.391 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.662 6.387 5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.246 7.484 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.078 8.608 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.018 10.606 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.218 10.939 4.993 1.00 0.00 H new ATOM 1689 N ALA A 108 4.226 7.258 3.941 1.00 0.00 N ATOM 1690 CA ALA A 108 5.635 7.543 4.148 1.00 0.00 C ATOM 1691 C ALA A 108 6.103 8.606 3.166 1.00 0.00 C ATOM 1692 O ALA A 108 6.671 9.600 3.587 1.00 0.00 O ATOM 1693 CB ALA A 108 6.485 6.283 3.973 1.00 0.00 C ATOM 0 H ALA A 108 4.056 6.335 3.542 1.00 0.00 H new ATOM 0 HA ALA A 108 5.756 7.906 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.535 6.527 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.173 5.530 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.354 5.893 2.964 1.00 0.00 H new ATOM 1699 N ILE A 109 5.870 8.412 1.870 1.00 0.00 N ATOM 1700 CA ILE A 109 6.321 9.307 0.804 1.00 0.00 C ATOM 1701 C ILE A 109 5.699 10.693 1.020 1.00 0.00 C ATOM 1702 O ILE A 109 6.359 11.710 0.813 1.00 0.00 O ATOM 1703 CB ILE A 109 5.973 8.655 -0.555 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.904 7.447 -0.793 1.00 0.00 C ATOM 1705 CG2 ILE A 109 6.059 9.595 -1.768 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.363 6.520 -1.884 1.00 0.00 C ATOM 0 H ILE A 109 5.349 7.607 1.522 1.00 0.00 H new ATOM 0 HA ILE A 109 7.401 9.456 0.815 1.00 0.00 H new ATOM 0 HB ILE A 109 4.927 8.359 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.895 7.802 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.019 6.888 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.797 9.046 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.366 10.426 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 109 7.075 9.981 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.047 5.682 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.383 6.144 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.273 7.072 -2.819 1.00 0.00 H new ATOM 1718 N TYR A 110 4.448 10.739 1.487 1.00 0.00 N ATOM 1719 CA TYR A 110 3.793 11.975 1.854 1.00 0.00 C ATOM 1720 C TYR A 110 4.586 12.638 2.977 1.00 0.00 C ATOM 1721 O TYR A 110 4.937 13.817 2.887 1.00 0.00 O ATOM 1722 CB TYR A 110 2.337 11.709 2.284 1.00 0.00 C ATOM 1723 CG TYR A 110 1.624 12.997 2.635 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.758 13.555 3.924 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.984 13.727 1.618 1.00 0.00 C ATOM 1726 CE1 TYR A 110 1.332 14.869 4.177 1.00 0.00 C ATOM 1727 CE2 TYR A 110 0.564 15.040 1.871 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.755 15.623 3.135 1.00 0.00 C ATOM 1729 OH TYR A 110 0.463 16.937 3.279 1.00 0.00 O ATOM 0 H TYR A 110 3.868 9.910 1.618 1.00 0.00 H new ATOM 0 HA TYR A 110 3.762 12.645 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.804 11.204 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.326 11.039 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.191 12.968 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.817 13.279 0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.445 15.298 5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.089 15.610 1.086 1.00 0.00 H new ATOM 0 HH TYR A 110 0.072 17.278 2.448 1.00 0.00 H new