USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 70 GLN : amide:sc= -0.882! C(o=1.5!,f=-5.8!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -136:sc= 2.43 (180deg=1.2) USER MOD Set 2.1: A 35 HIS :FLIP no HD1:sc= -0.93 F(o=-2.2!,f=-0.6) USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -0.869 F(o=-3.4!,f=-0.6) USER MOD Set 2.3: A 89 SER OG : rot 72:sc= 1.2 USER MOD Single : A 24 THR OG1 : rot -17:sc= 0.718 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 38 GLN : amide:sc= 0.279 X(o=0.28,f=-0.022) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 74:sc= 0.985 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 53 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.058) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 60 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 61 SER OG : rot 70:sc= 0.0518 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -116:sc= -0.967 (180deg=-1.94!) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.53 F(o=-2.8!,f=-0.53) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.101 F(o=-1.6!,f=-0.1) USER MOD Single : A 83 MET CE :methyl 147:sc= -0.916 (180deg=-1.36) USER MOD Single : A 92 MET CE :methyl -128:sc= -1.95! (180deg=-3.93!) USER MOD Single : A 93 LYS NZ :NH3+ 135:sc= 1.32 (180deg=0.168) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0285 (180deg=-0.223) USER MOD Single : A 100 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.088) USER MOD Single : A 102 TYR OH : rot 180:sc= -1.58! USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -127:sc= -2.04 (180deg=-4.25!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 346 N THR A 24 11.853 2.391 -7.094 1.00 61.35 N ATOM 347 CA THR A 24 11.469 2.854 -5.769 1.00 51.43 C ATOM 348 C THR A 24 10.025 3.342 -5.748 1.00 65.51 C ATOM 349 O THR A 24 9.183 2.793 -5.036 1.00 12.53 O ATOM 350 CB THR A 24 12.393 3.987 -5.293 1.00 63.41 C ATOM 351 OG1 THR A 24 12.948 4.666 -6.426 1.00 73.52 O ATOM 352 CG2 THR A 24 13.508 3.450 -4.407 1.00 11.25 C ATOM 0 HA THR A 24 11.564 2.004 -5.093 1.00 51.43 H new ATOM 0 HB THR A 24 11.802 4.688 -4.703 1.00 63.41 H new ATOM 0 HG1 THR A 24 12.845 4.108 -7.225 1.00 73.52 H new ATOM 0 HG21 THR A 24 14.146 4.273 -4.085 1.00 11.25 H new ATOM 0 HG22 THR A 24 13.076 2.963 -3.533 1.00 11.25 H new ATOM 0 HG23 THR A 24 14.102 2.728 -4.967 1.00 11.25 H new ATOM 360 N TRP A 25 9.744 4.363 -6.541 1.00 52.24 N ATOM 361 CA TRP A 25 8.419 4.957 -6.579 1.00 31.12 C ATOM 362 C TRP A 25 7.640 4.455 -7.784 1.00 54.42 C ATOM 363 O TRP A 25 6.410 4.457 -7.794 1.00 70.44 O ATOM 364 CB TRP A 25 8.534 6.478 -6.651 1.00 2.52 C ATOM 365 CG TRP A 25 9.329 7.089 -5.531 1.00 31.41 C ATOM 366 CD1 TRP A 25 10.458 7.846 -5.653 1.00 64.54 C ATOM 367 CD2 TRP A 25 9.064 6.994 -4.124 1.00 4.13 C ATOM 368 NE1 TRP A 25 10.901 8.240 -4.414 1.00 14.25 N ATOM 369 CE2 TRP A 25 10.066 7.726 -3.461 1.00 43.44 C ATOM 370 CE3 TRP A 25 8.077 6.365 -3.364 1.00 70.33 C ATOM 371 CZ2 TRP A 25 10.105 7.847 -2.074 1.00 23.25 C ATOM 372 CZ3 TRP A 25 8.117 6.485 -1.987 1.00 21.25 C ATOM 373 CH2 TRP A 25 9.125 7.220 -1.355 1.00 42.45 C ATOM 0 H TRP A 25 10.419 4.799 -7.169 1.00 52.24 H new ATOM 0 HA TRP A 25 7.889 4.670 -5.671 1.00 31.12 H new ATOM 0 HB2 TRP A 25 8.995 6.752 -7.600 1.00 2.52 H new ATOM 0 HB3 TRP A 25 7.532 6.908 -6.647 1.00 2.52 H new ATOM 0 HD1 TRP A 25 10.934 8.099 -6.589 1.00 64.54 H new ATOM 0 HE1 TRP A 25 11.720 8.821 -4.234 1.00 14.25 H new ATOM 0 HE3 TRP A 25 7.295 5.794 -3.843 1.00 70.33 H new ATOM 0 HZ2 TRP A 25 10.881 8.416 -1.584 1.00 23.25 H new ATOM 0 HZ3 TRP A 25 7.357 6.003 -1.390 1.00 21.25 H new ATOM 0 HH2 TRP A 25 9.130 7.294 -0.278 1.00 42.45 H new ATOM 384 N ALA A 26 8.373 4.026 -8.796 1.00 24.33 N ATOM 385 CA ALA A 26 7.775 3.627 -10.061 1.00 75.43 C ATOM 386 C ALA A 26 6.909 2.381 -9.914 1.00 5.11 C ATOM 387 O ALA A 26 7.400 1.303 -9.565 1.00 64.25 O ATOM 388 CB ALA A 26 8.852 3.391 -11.108 1.00 41.22 C ATOM 0 H ALA A 26 9.389 3.944 -8.767 1.00 24.33 H new ATOM 0 HA ALA A 26 7.130 4.444 -10.385 1.00 75.43 H new ATOM 0 HB1 ALA A 26 8.387 3.093 -12.048 1.00 41.22 H new ATOM 0 HB2 ALA A 26 9.420 4.309 -11.259 1.00 41.22 H new ATOM 0 HB3 ALA A 26 9.522 2.601 -10.769 1.00 41.22 H new ATOM 394 N ILE A 27 5.616 2.540 -10.163 1.00 71.11 N ATOM 395 CA ILE A 27 4.709 1.409 -10.212 1.00 22.41 C ATOM 396 C ILE A 27 4.598 0.918 -11.650 1.00 44.02 C ATOM 397 O ILE A 27 3.763 1.385 -12.430 1.00 2.13 O ATOM 398 CB ILE A 27 3.307 1.756 -9.660 1.00 50.32 C ATOM 399 CG1 ILE A 27 3.418 2.308 -8.233 1.00 31.23 C ATOM 400 CG2 ILE A 27 2.403 0.526 -9.684 1.00 71.43 C ATOM 401 CD1 ILE A 27 2.091 2.699 -7.622 1.00 24.33 C ATOM 0 H ILE A 27 5.175 3.444 -10.334 1.00 71.11 H new ATOM 0 HA ILE A 27 5.117 0.624 -9.575 1.00 22.41 H new ATOM 0 HB ILE A 27 2.865 2.522 -10.297 1.00 50.32 H new ATOM 0 HG12 ILE A 27 3.891 1.558 -7.600 1.00 31.23 H new ATOM 0 HG13 ILE A 27 4.074 3.179 -8.241 1.00 31.23 H new ATOM 0 HG21 ILE A 27 1.420 0.789 -9.292 1.00 71.43 H new ATOM 0 HG22 ILE A 27 2.301 0.169 -10.709 1.00 71.43 H new ATOM 0 HG23 ILE A 27 2.841 -0.260 -9.068 1.00 71.43 H new ATOM 0 HD11 ILE A 27 2.253 3.080 -6.614 1.00 24.33 H new ATOM 0 HD12 ILE A 27 1.624 3.473 -8.231 1.00 24.33 H new ATOM 0 HD13 ILE A 27 1.439 1.827 -7.580 1.00 24.33 H new ATOM 413 N THR A 28 5.490 0.013 -12.004 1.00 41.02 N ATOM 414 CA THR A 28 5.566 -0.526 -13.349 1.00 73.34 C ATOM 415 C THR A 28 4.504 -1.607 -13.578 1.00 44.41 C ATOM 416 O THR A 28 3.643 -1.839 -12.726 1.00 44.13 O ATOM 417 CB THR A 28 6.966 -1.115 -13.585 1.00 21.52 C ATOM 418 OG1 THR A 28 7.870 -0.594 -12.600 1.00 4.44 O ATOM 419 CG2 THR A 28 7.481 -0.763 -14.974 1.00 62.40 C ATOM 0 H THR A 28 6.186 -0.371 -11.364 1.00 41.02 H new ATOM 0 HA THR A 28 5.379 0.284 -14.054 1.00 73.34 H new ATOM 0 HB THR A 28 6.902 -2.200 -13.505 1.00 21.52 H new ATOM 0 HG1 THR A 28 8.764 -0.968 -12.746 1.00 4.44 H new ATOM 0 HG21 THR A 28 8.473 -1.192 -15.114 1.00 62.40 H new ATOM 0 HG22 THR A 28 6.802 -1.165 -15.726 1.00 62.40 H new ATOM 0 HG23 THR A 28 7.537 0.321 -15.078 1.00 62.40 H new ATOM 427 N VAL A 29 4.575 -2.271 -14.727 1.00 53.54 N ATOM 428 CA VAL A 29 3.615 -3.306 -15.081 1.00 2.11 C ATOM 429 C VAL A 29 3.729 -4.496 -14.134 1.00 50.32 C ATOM 430 O VAL A 29 2.719 -5.052 -13.703 1.00 11.33 O ATOM 431 CB VAL A 29 3.808 -3.780 -16.538 1.00 62.40 C ATOM 432 CG1 VAL A 29 2.794 -4.854 -16.900 1.00 3.45 C ATOM 433 CG2 VAL A 29 3.706 -2.603 -17.495 1.00 14.24 C ATOM 0 H VAL A 29 5.294 -2.108 -15.432 1.00 53.54 H new ATOM 0 HA VAL A 29 2.620 -2.871 -14.989 1.00 2.11 H new ATOM 0 HB VAL A 29 4.804 -4.215 -16.626 1.00 62.40 H new ATOM 0 HG11 VAL A 29 2.952 -5.170 -17.931 1.00 3.45 H new ATOM 0 HG12 VAL A 29 2.917 -5.709 -16.235 1.00 3.45 H new ATOM 0 HG13 VAL A 29 1.786 -4.453 -16.794 1.00 3.45 H new ATOM 0 HG21 VAL A 29 3.844 -2.953 -18.518 1.00 14.24 H new ATOM 0 HG22 VAL A 29 2.724 -2.140 -17.399 1.00 14.24 H new ATOM 0 HG23 VAL A 29 4.477 -1.871 -17.255 1.00 14.24 H new ATOM 443 N GLU A 30 4.958 -4.873 -13.794 1.00 1.22 N ATOM 444 CA GLU A 30 5.186 -5.947 -12.845 1.00 1.31 C ATOM 445 C GLU A 30 4.630 -5.584 -11.475 1.00 30.24 C ATOM 446 O GLU A 30 4.152 -6.446 -10.747 1.00 44.50 O ATOM 447 CB GLU A 30 6.674 -6.265 -12.746 1.00 40.31 C ATOM 448 CG GLU A 30 7.240 -6.921 -13.993 1.00 44.52 C ATOM 449 CD GLU A 30 8.684 -7.339 -13.823 1.00 41.14 C ATOM 450 OE1 GLU A 30 9.582 -6.515 -14.086 1.00 21.23 O ATOM 451 OE2 GLU A 30 8.932 -8.503 -13.437 1.00 24.12 O ATOM 0 H GLU A 30 5.808 -4.448 -14.164 1.00 1.22 H new ATOM 0 HA GLU A 30 4.663 -6.834 -13.203 1.00 1.31 H new ATOM 0 HB2 GLU A 30 7.222 -5.343 -12.550 1.00 40.31 H new ATOM 0 HB3 GLU A 30 6.841 -6.922 -11.892 1.00 40.31 H new ATOM 0 HG2 GLU A 30 6.639 -7.795 -14.244 1.00 44.52 H new ATOM 0 HG3 GLU A 30 7.162 -6.229 -14.831 1.00 44.52 H new ATOM 458 N GLU A 31 4.674 -4.302 -11.137 1.00 2.44 N ATOM 459 CA GLU A 31 4.119 -3.833 -9.876 1.00 31.45 C ATOM 460 C GLU A 31 2.591 -3.895 -9.936 1.00 1.11 C ATOM 461 O GLU A 31 1.922 -4.221 -8.952 1.00 74.33 O ATOM 462 CB GLU A 31 4.584 -2.404 -9.579 1.00 13.42 C ATOM 463 CG GLU A 31 6.085 -2.200 -9.720 1.00 54.53 C ATOM 464 CD GLU A 31 6.895 -3.047 -8.764 1.00 12.21 C ATOM 465 OE1 GLU A 31 6.765 -2.854 -7.537 1.00 20.02 O ATOM 466 OE2 GLU A 31 7.675 -3.897 -9.234 1.00 23.02 O ATOM 0 H GLU A 31 5.087 -3.571 -11.717 1.00 2.44 H new ATOM 0 HA GLU A 31 4.473 -4.477 -9.071 1.00 31.45 H new ATOM 0 HB2 GLU A 31 4.070 -1.718 -10.252 1.00 13.42 H new ATOM 0 HB3 GLU A 31 4.285 -2.139 -8.565 1.00 13.42 H new ATOM 0 HG2 GLU A 31 6.382 -2.433 -10.742 1.00 54.53 H new ATOM 0 HG3 GLU A 31 6.319 -1.149 -9.552 1.00 54.53 H new ATOM 473 N ARG A 32 2.048 -3.589 -11.108 1.00 2.51 N ATOM 474 CA ARG A 32 0.616 -3.704 -11.353 1.00 2.21 C ATOM 475 C ARG A 32 0.178 -5.158 -11.228 1.00 71.23 C ATOM 476 O ARG A 32 -0.788 -5.472 -10.535 1.00 41.00 O ATOM 477 CB ARG A 32 0.271 -3.153 -12.739 1.00 11.25 C ATOM 478 CG ARG A 32 -1.201 -3.284 -13.106 1.00 34.53 C ATOM 479 CD ARG A 32 -1.543 -2.496 -14.359 1.00 50.14 C ATOM 480 NE ARG A 32 -1.391 -1.057 -14.156 1.00 5.11 N ATOM 481 CZ ARG A 32 -2.032 -0.131 -14.867 1.00 74.04 C ATOM 482 NH1 ARG A 32 -2.831 -0.486 -15.867 1.00 12.43 N ATOM 483 NH2 ARG A 32 -1.855 1.155 -14.584 1.00 4.25 N ATOM 0 H ARG A 32 2.583 -3.257 -11.910 1.00 2.51 H new ATOM 0 HA ARG A 32 0.081 -3.117 -10.607 1.00 2.21 H new ATOM 0 HB2 ARG A 32 0.554 -2.101 -12.782 1.00 11.25 H new ATOM 0 HB3 ARG A 32 0.869 -3.675 -13.486 1.00 11.25 H new ATOM 0 HG2 ARG A 32 -1.445 -4.335 -13.260 1.00 34.53 H new ATOM 0 HG3 ARG A 32 -1.815 -2.932 -12.277 1.00 34.53 H new ATOM 0 HD2 ARG A 32 -0.898 -2.817 -15.177 1.00 50.14 H new ATOM 0 HD3 ARG A 32 -2.569 -2.714 -14.657 1.00 50.14 H new ATOM 0 HE ARG A 32 -0.754 -0.742 -13.424 1.00 5.11 H new ATOM 0 HH11 ARG A 32 -2.956 -1.472 -16.094 1.00 12.43 H new ATOM 0 HH12 ARG A 32 -3.319 0.228 -16.408 1.00 12.43 H new ATOM 0 HH21 ARG A 32 -1.231 1.429 -13.825 1.00 4.25 H new ATOM 0 HH22 ARG A 32 -2.343 1.868 -15.125 1.00 4.25 H new ATOM 497 N ALA A 33 0.908 -6.041 -11.885 1.00 51.03 N ATOM 498 CA ALA A 33 0.650 -7.469 -11.780 1.00 60.05 C ATOM 499 C ALA A 33 0.794 -7.937 -10.332 1.00 41.14 C ATOM 500 O ALA A 33 0.034 -8.781 -9.861 1.00 60.04 O ATOM 501 CB ALA A 33 1.596 -8.243 -12.685 1.00 3.03 C ATOM 0 H ALA A 33 1.685 -5.796 -12.498 1.00 51.03 H new ATOM 0 HA ALA A 33 -0.374 -7.660 -12.101 1.00 60.05 H new ATOM 0 HB1 ALA A 33 1.392 -9.310 -12.597 1.00 3.03 H new ATOM 0 HB2 ALA A 33 1.449 -7.930 -13.719 1.00 3.03 H new ATOM 0 HB3 ALA A 33 2.626 -8.045 -12.389 1.00 3.03 H new ATOM 507 N LYS A 34 1.762 -7.357 -9.632 1.00 51.51 N ATOM 508 CA LYS A 34 2.034 -7.705 -8.245 1.00 45.44 C ATOM 509 C LYS A 34 0.852 -7.378 -7.335 1.00 21.20 C ATOM 510 O LYS A 34 0.436 -8.219 -6.535 1.00 51.43 O ATOM 511 CB LYS A 34 3.283 -6.974 -7.747 1.00 34.41 C ATOM 512 CG LYS A 34 3.597 -7.228 -6.282 1.00 62.01 C ATOM 513 CD LYS A 34 4.776 -6.396 -5.817 1.00 32.32 C ATOM 514 CE LYS A 34 4.968 -6.499 -4.314 1.00 50.51 C ATOM 515 NZ LYS A 34 6.054 -5.608 -3.833 1.00 12.11 N ATOM 0 H LYS A 34 2.377 -6.636 -10.009 1.00 51.51 H new ATOM 0 HA LYS A 34 2.201 -8.781 -8.208 1.00 45.44 H new ATOM 0 HB2 LYS A 34 4.137 -7.280 -8.351 1.00 34.41 H new ATOM 0 HB3 LYS A 34 3.152 -5.903 -7.901 1.00 34.41 H new ATOM 0 HG2 LYS A 34 2.722 -6.994 -5.675 1.00 62.01 H new ATOM 0 HG3 LYS A 34 3.815 -8.286 -6.133 1.00 62.01 H new ATOM 0 HD2 LYS A 34 5.681 -6.729 -6.325 1.00 32.32 H new ATOM 0 HD3 LYS A 34 4.620 -5.354 -6.095 1.00 32.32 H new ATOM 0 HE2 LYS A 34 4.036 -6.241 -3.810 1.00 50.51 H new ATOM 0 HE3 LYS A 34 5.199 -7.530 -4.047 1.00 50.51 H new ATOM 0 HZ1 LYS A 34 6.154 -5.707 -2.803 1.00 12.11 H new ATOM 0 HZ2 LYS A 34 6.948 -5.871 -4.294 1.00 12.11 H new ATOM 0 HZ3 LYS A 34 5.822 -4.621 -4.065 1.00 12.11 H new ATOM 529 N HIS A 35 0.297 -6.167 -7.446 1.00 21.41 N ATOM 530 CA HIS A 35 -0.777 -5.769 -6.535 1.00 42.34 C ATOM 531 C HIS A 35 -1.985 -6.659 -6.769 1.00 74.44 C ATOM 532 O HIS A 35 -2.733 -6.955 -5.852 1.00 51.44 O ATOM 533 CB HIS A 35 -1.182 -4.282 -6.680 1.00 0.43 C ATOM 534 CG HIS A 35 -2.249 -3.982 -7.706 1.00 75.43 C ATOM 535 ND1 HIS A 35 -2.169 -3.542 -8.982 1.00 74.32 N flip ATOM 536 CD2 HIS A 35 -3.599 -4.118 -7.439 1.00 10.21 C flip ATOM 537 CE1 HIS A 35 -3.454 -3.426 -9.459 1.00 35.11 C flip ATOM 538 NE2 HIS A 35 -4.293 -3.779 -8.506 1.00 1.12 N flip ATOM 0 H HIS A 35 0.564 -5.465 -8.136 1.00 21.41 H new ATOM 0 HA HIS A 35 -0.400 -5.889 -5.519 1.00 42.34 H new ATOM 0 HB2 HIS A 35 -1.528 -3.924 -5.710 1.00 0.43 H new ATOM 0 HB3 HIS A 35 -0.291 -3.707 -6.933 1.00 0.43 H new ATOM 0 HD2 HIS A 35 -4.019 -4.451 -6.501 1.00 10.21 H new ATOM 0 HE1 HIS A 35 -3.730 -3.100 -10.451 1.00 35.11 H new ATOM 0 HE2 HIS A 35 -5.310 -3.788 -8.582 1.00 1.12 H new ATOM 547 N ASP A 36 -2.151 -7.071 -8.014 1.00 22.31 N ATOM 548 CA ASP A 36 -3.263 -7.925 -8.414 1.00 43.50 C ATOM 549 C ASP A 36 -3.172 -9.302 -7.760 1.00 54.22 C ATOM 550 O ASP A 36 -4.139 -9.777 -7.166 1.00 51.13 O ATOM 551 CB ASP A 36 -3.287 -8.065 -9.936 1.00 71.54 C ATOM 552 CG ASP A 36 -4.357 -9.022 -10.416 1.00 3.20 C ATOM 553 OD1 ASP A 36 -5.546 -8.648 -10.396 1.00 1.15 O ATOM 554 OD2 ASP A 36 -4.009 -10.146 -10.830 1.00 24.34 O ATOM 0 H ASP A 36 -1.521 -6.825 -8.778 1.00 22.31 H new ATOM 0 HA ASP A 36 -4.188 -7.457 -8.078 1.00 43.50 H new ATOM 0 HB2 ASP A 36 -3.453 -7.086 -10.385 1.00 71.54 H new ATOM 0 HB3 ASP A 36 -2.313 -8.412 -10.281 1.00 71.54 H new ATOM 559 N GLN A 37 -2.005 -9.931 -7.862 1.00 63.30 N ATOM 560 CA GLN A 37 -1.790 -11.250 -7.272 1.00 1.11 C ATOM 561 C GLN A 37 -2.018 -11.216 -5.764 1.00 42.05 C ATOM 562 O GLN A 37 -2.634 -12.118 -5.191 1.00 23.43 O ATOM 563 CB GLN A 37 -0.373 -11.744 -7.567 1.00 31.45 C ATOM 564 CG GLN A 37 -0.087 -11.921 -9.046 1.00 11.01 C ATOM 565 CD GLN A 37 1.323 -12.403 -9.310 1.00 41.01 C ATOM 566 OE1 GLN A 37 2.249 -12.104 -8.555 1.00 75.42 O ATOM 567 NE2 GLN A 37 1.496 -13.155 -10.384 1.00 24.41 N ATOM 0 H GLN A 37 -1.193 -9.549 -8.347 1.00 63.30 H new ATOM 0 HA GLN A 37 -2.509 -11.937 -7.719 1.00 1.11 H new ATOM 0 HB2 GLN A 37 0.344 -11.037 -7.149 1.00 31.45 H new ATOM 0 HB3 GLN A 37 -0.216 -12.695 -7.059 1.00 31.45 H new ATOM 0 HG2 GLN A 37 -0.796 -12.634 -9.467 1.00 11.01 H new ATOM 0 HG3 GLN A 37 -0.245 -10.973 -9.559 1.00 11.01 H new ATOM 0 HE21 GLN A 37 0.701 -13.379 -10.983 1.00 24.41 H new ATOM 0 HE22 GLN A 37 2.424 -13.511 -10.613 1.00 24.41 H new ATOM 576 N GLN A 38 -1.525 -10.166 -5.130 1.00 25.03 N ATOM 577 CA GLN A 38 -1.697 -9.995 -3.697 1.00 71.21 C ATOM 578 C GLN A 38 -3.148 -9.657 -3.368 1.00 20.03 C ATOM 579 O GLN A 38 -3.701 -10.163 -2.395 1.00 31.10 O ATOM 580 CB GLN A 38 -0.752 -8.915 -3.167 1.00 55.33 C ATOM 581 CG GLN A 38 0.480 -9.476 -2.466 1.00 63.20 C ATOM 582 CD GLN A 38 1.391 -10.292 -3.376 1.00 14.21 C ATOM 583 OE1 GLN A 38 2.015 -11.257 -2.937 1.00 52.43 O ATOM 584 NE2 GLN A 38 1.504 -9.899 -4.637 1.00 32.43 N ATOM 0 H GLN A 38 -1.002 -9.418 -5.585 1.00 25.03 H new ATOM 0 HA GLN A 38 -1.447 -10.935 -3.205 1.00 71.21 H new ATOM 0 HB2 GLN A 38 -0.433 -8.284 -3.996 1.00 55.33 H new ATOM 0 HB3 GLN A 38 -1.297 -8.276 -2.472 1.00 55.33 H new ATOM 0 HG2 GLN A 38 1.052 -8.651 -2.042 1.00 63.20 H new ATOM 0 HG3 GLN A 38 0.159 -10.102 -1.634 1.00 63.20 H new ATOM 0 HE21 GLN A 38 0.973 -9.095 -4.970 1.00 32.43 H new ATOM 0 HE22 GLN A 38 2.122 -10.401 -5.274 1.00 32.43 H new ATOM 593 N PHE A 39 -3.756 -8.819 -4.199 1.00 3.14 N ATOM 594 CA PHE A 39 -5.169 -8.454 -4.065 1.00 75.42 C ATOM 595 C PHE A 39 -6.033 -9.707 -4.058 1.00 70.14 C ATOM 596 O PHE A 39 -6.918 -9.866 -3.221 1.00 13.11 O ATOM 597 CB PHE A 39 -5.559 -7.549 -5.237 1.00 45.55 C ATOM 598 CG PHE A 39 -6.944 -6.967 -5.181 1.00 33.13 C ATOM 599 CD1 PHE A 39 -7.470 -6.476 -3.999 1.00 72.12 C ATOM 600 CD2 PHE A 39 -7.703 -6.871 -6.338 1.00 4.24 C ATOM 601 CE1 PHE A 39 -8.724 -5.896 -3.971 1.00 31.12 C ATOM 602 CE2 PHE A 39 -8.962 -6.302 -6.314 1.00 61.05 C ATOM 603 CZ PHE A 39 -9.471 -5.809 -5.128 1.00 4.21 C ATOM 0 H PHE A 39 -3.287 -8.371 -4.986 1.00 3.14 H new ATOM 0 HA PHE A 39 -5.325 -7.924 -3.126 1.00 75.42 H new ATOM 0 HB2 PHE A 39 -4.843 -6.729 -5.293 1.00 45.55 H new ATOM 0 HB3 PHE A 39 -5.462 -8.120 -6.160 1.00 45.55 H new ATOM 0 HD1 PHE A 39 -6.894 -6.547 -3.088 1.00 72.12 H new ATOM 0 HD2 PHE A 39 -7.305 -7.246 -7.269 1.00 4.24 H new ATOM 0 HE1 PHE A 39 -9.120 -5.511 -3.043 1.00 31.12 H new ATOM 0 HE2 PHE A 39 -9.547 -6.243 -7.220 1.00 61.05 H new ATOM 0 HZ PHE A 39 -10.451 -5.357 -5.106 1.00 4.21 H new ATOM 613 N HIS A 40 -5.741 -10.596 -4.993 1.00 11.33 N ATOM 614 CA HIS A 40 -6.438 -11.865 -5.114 1.00 43.54 C ATOM 615 C HIS A 40 -6.291 -12.702 -3.843 1.00 13.44 C ATOM 616 O HIS A 40 -7.258 -13.291 -3.359 1.00 3.32 O ATOM 617 CB HIS A 40 -5.886 -12.628 -6.324 1.00 72.54 C ATOM 618 CG HIS A 40 -6.464 -13.997 -6.507 1.00 1.31 C ATOM 619 ND1 HIS A 40 -5.717 -15.149 -6.408 1.00 42.24 N ATOM 620 CD2 HIS A 40 -7.725 -14.391 -6.789 1.00 73.23 C ATOM 621 CE1 HIS A 40 -6.494 -16.192 -6.622 1.00 22.42 C ATOM 622 NE2 HIS A 40 -7.718 -15.761 -6.855 1.00 54.32 N ATOM 0 H HIS A 40 -5.011 -10.457 -5.692 1.00 11.33 H new ATOM 0 HA HIS A 40 -7.501 -11.670 -5.256 1.00 43.54 H new ATOM 0 HB2 HIS A 40 -6.075 -12.043 -7.224 1.00 72.54 H new ATOM 0 HB3 HIS A 40 -4.804 -12.714 -6.222 1.00 72.54 H new ATOM 0 HD2 HIS A 40 -8.580 -13.747 -6.935 1.00 73.23 H new ATOM 0 HE1 HIS A 40 -6.181 -17.225 -6.609 1.00 22.42 H new ATOM 0 HE2 HIS A 40 -8.527 -16.350 -7.052 1.00 54.32 H new ATOM 631 N SER A 41 -5.083 -12.730 -3.307 1.00 13.43 N ATOM 632 CA SER A 41 -4.765 -13.562 -2.159 1.00 22.44 C ATOM 633 C SER A 41 -5.326 -12.991 -0.852 1.00 45.41 C ATOM 634 O SER A 41 -5.483 -13.722 0.128 1.00 4.14 O ATOM 635 CB SER A 41 -3.249 -13.712 -2.053 1.00 44.15 C ATOM 636 OG SER A 41 -2.696 -14.192 -3.270 1.00 51.33 O ATOM 0 H SER A 41 -4.298 -12.179 -3.654 1.00 13.43 H new ATOM 0 HA SER A 41 -5.233 -14.535 -2.311 1.00 22.44 H new ATOM 0 HB2 SER A 41 -2.802 -12.750 -1.801 1.00 44.15 H new ATOM 0 HB3 SER A 41 -3.004 -14.399 -1.243 1.00 44.15 H new ATOM 0 HG SER A 41 -2.695 -13.472 -3.935 1.00 51.33 H new ATOM 642 N LEU A 42 -5.652 -11.701 -0.847 1.00 25.12 N ATOM 643 CA LEU A 42 -6.077 -11.017 0.378 1.00 43.30 C ATOM 644 C LEU A 42 -7.538 -11.289 0.718 1.00 61.22 C ATOM 645 O LEU A 42 -8.052 -10.758 1.707 1.00 42.31 O ATOM 646 CB LEU A 42 -5.877 -9.506 0.249 1.00 73.01 C ATOM 647 CG LEU A 42 -4.433 -9.024 0.294 1.00 12.15 C ATOM 648 CD1 LEU A 42 -4.386 -7.515 0.128 1.00 33.42 C ATOM 649 CD2 LEU A 42 -3.774 -9.444 1.599 1.00 72.11 C ATOM 0 H LEU A 42 -5.631 -11.106 -1.675 1.00 25.12 H new ATOM 0 HA LEU A 42 -5.457 -11.413 1.182 1.00 43.30 H new ATOM 0 HB2 LEU A 42 -6.321 -9.178 -0.691 1.00 73.01 H new ATOM 0 HB3 LEU A 42 -6.429 -9.015 1.050 1.00 73.01 H new ATOM 0 HG LEU A 42 -3.881 -9.482 -0.527 1.00 12.15 H new ATOM 0 HD11 LEU A 42 -3.350 -7.177 0.161 1.00 33.42 H new ATOM 0 HD12 LEU A 42 -4.827 -7.241 -0.830 1.00 33.42 H new ATOM 0 HD13 LEU A 42 -4.948 -7.043 0.934 1.00 33.42 H new ATOM 0 HD21 LEU A 42 -2.743 -9.092 1.616 1.00 72.11 H new ATOM 0 HD22 LEU A 42 -4.319 -9.011 2.438 1.00 72.11 H new ATOM 0 HD23 LEU A 42 -3.788 -10.531 1.680 1.00 72.11 H new ATOM 661 N LYS A 43 -8.195 -12.113 -0.096 1.00 44.14 N ATOM 662 CA LYS A 43 -9.623 -12.389 0.063 1.00 50.33 C ATOM 663 C LYS A 43 -10.417 -11.093 -0.073 1.00 50.22 C ATOM 664 O LYS A 43 -11.012 -10.614 0.898 1.00 52.22 O ATOM 665 CB LYS A 43 -9.917 -13.028 1.426 1.00 4.22 C ATOM 666 CG LYS A 43 -9.113 -14.279 1.723 1.00 22.13 C ATOM 667 CD LYS A 43 -9.322 -14.719 3.163 1.00 25.04 C ATOM 668 CE LYS A 43 -8.573 -16.001 3.485 1.00 3.14 C ATOM 669 NZ LYS A 43 -8.728 -16.380 4.913 1.00 3.10 N ATOM 0 H LYS A 43 -7.759 -12.604 -0.877 1.00 44.14 H new ATOM 0 HA LYS A 43 -9.921 -13.090 -0.717 1.00 50.33 H new ATOM 0 HB2 LYS A 43 -9.722 -12.293 2.207 1.00 4.22 H new ATOM 0 HB3 LYS A 43 -10.978 -13.273 1.476 1.00 4.22 H new ATOM 0 HG2 LYS A 43 -9.411 -15.079 1.046 1.00 22.13 H new ATOM 0 HG3 LYS A 43 -8.055 -14.089 1.545 1.00 22.13 H new ATOM 0 HD2 LYS A 43 -8.990 -13.928 3.835 1.00 25.04 H new ATOM 0 HD3 LYS A 43 -10.386 -14.866 3.345 1.00 25.04 H new ATOM 0 HE2 LYS A 43 -8.942 -16.808 2.852 1.00 3.14 H new ATOM 0 HE3 LYS A 43 -7.515 -15.873 3.254 1.00 3.14 H new ATOM 0 HZ1 LYS A 43 -8.204 -17.259 5.098 1.00 3.10 H new ATOM 0 HZ2 LYS A 43 -8.353 -15.620 5.516 1.00 3.10 H new ATOM 0 HZ3 LYS A 43 -9.735 -16.526 5.126 1.00 3.10 H new ATOM 683 N PRO A 44 -10.421 -10.487 -1.270 1.00 11.22 N ATOM 684 CA PRO A 44 -11.081 -9.203 -1.481 1.00 74.11 C ATOM 685 C PRO A 44 -12.592 -9.310 -1.334 1.00 75.30 C ATOM 686 O PRO A 44 -13.186 -10.342 -1.651 1.00 11.11 O ATOM 687 CB PRO A 44 -10.705 -8.824 -2.915 1.00 32.43 C ATOM 688 CG PRO A 44 -10.352 -10.108 -3.580 1.00 30.53 C ATOM 689 CD PRO A 44 -9.801 -11.006 -2.504 1.00 2.34 C ATOM 0 HA PRO A 44 -10.770 -8.461 -0.746 1.00 74.11 H new ATOM 0 HB2 PRO A 44 -11.535 -8.333 -3.423 1.00 32.43 H new ATOM 0 HB3 PRO A 44 -9.866 -8.129 -2.931 1.00 32.43 H new ATOM 0 HG2 PRO A 44 -11.228 -10.556 -4.049 1.00 30.53 H new ATOM 0 HG3 PRO A 44 -9.615 -9.948 -4.367 1.00 30.53 H new ATOM 0 HD2 PRO A 44 -10.065 -12.049 -2.678 1.00 2.34 H new ATOM 0 HD3 PRO A 44 -8.713 -10.956 -2.458 1.00 2.34 H new ATOM 697 N ILE A 45 -13.208 -8.250 -0.845 1.00 22.42 N ATOM 698 CA ILE A 45 -14.648 -8.205 -0.700 1.00 5.31 C ATOM 699 C ILE A 45 -15.280 -7.967 -2.063 1.00 64.30 C ATOM 700 O ILE A 45 -15.355 -6.826 -2.527 1.00 44.21 O ATOM 701 CB ILE A 45 -15.080 -7.093 0.283 1.00 71.45 C ATOM 702 CG1 ILE A 45 -14.336 -7.251 1.612 1.00 30.10 C ATOM 703 CG2 ILE A 45 -16.584 -7.138 0.508 1.00 2.22 C ATOM 704 CD1 ILE A 45 -14.609 -6.139 2.602 1.00 54.40 C ATOM 0 H ILE A 45 -12.728 -7.403 -0.540 1.00 22.42 H new ATOM 0 HA ILE A 45 -14.986 -9.158 -0.293 1.00 5.31 H new ATOM 0 HB ILE A 45 -14.826 -6.125 -0.149 1.00 71.45 H new ATOM 0 HG12 ILE A 45 -14.616 -8.203 2.063 1.00 30.10 H new ATOM 0 HG13 ILE A 45 -13.265 -7.294 1.415 1.00 30.10 H new ATOM 0 HG21 ILE A 45 -16.872 -6.349 1.202 1.00 2.22 H new ATOM 0 HG22 ILE A 45 -17.099 -6.991 -0.442 1.00 2.22 H new ATOM 0 HG23 ILE A 45 -16.861 -8.106 0.925 1.00 2.22 H new ATOM 0 HD11 ILE A 45 -14.047 -6.321 3.518 1.00 54.40 H new ATOM 0 HD12 ILE A 45 -14.303 -5.186 2.172 1.00 54.40 H new ATOM 0 HD13 ILE A 45 -15.674 -6.108 2.830 1.00 54.40 H new ATOM 716 N SER A 46 -15.676 -9.061 -2.714 1.00 65.41 N ATOM 717 CA SER A 46 -16.245 -9.025 -4.058 1.00 34.13 C ATOM 718 C SER A 46 -15.201 -8.585 -5.095 1.00 50.14 C ATOM 719 O SER A 46 -14.739 -9.393 -5.904 1.00 12.44 O ATOM 720 CB SER A 46 -17.481 -8.119 -4.088 1.00 12.41 C ATOM 721 OG SER A 46 -18.467 -8.586 -3.174 1.00 74.51 O ATOM 0 H SER A 46 -15.610 -10.000 -2.321 1.00 65.41 H new ATOM 0 HA SER A 46 -16.556 -10.035 -4.325 1.00 34.13 H new ATOM 0 HB2 SER A 46 -17.196 -7.098 -3.834 1.00 12.41 H new ATOM 0 HB3 SER A 46 -17.895 -8.093 -5.096 1.00 12.41 H new ATOM 0 HG SER A 46 -19.248 -7.995 -3.205 1.00 74.51 H new ATOM 727 N GLY A 47 -14.810 -7.319 -5.052 1.00 23.30 N ATOM 728 CA GLY A 47 -13.831 -6.817 -5.996 1.00 0.22 C ATOM 729 C GLY A 47 -13.032 -5.652 -5.448 1.00 31.44 C ATOM 730 O GLY A 47 -12.392 -4.924 -6.206 1.00 24.42 O ATOM 0 H GLY A 47 -15.152 -6.631 -4.381 1.00 23.30 H new ATOM 0 HA2 GLY A 47 -13.150 -7.623 -6.269 1.00 0.22 H new ATOM 0 HA3 GLY A 47 -14.339 -6.506 -6.909 1.00 0.22 H new ATOM 734 N PHE A 48 -13.062 -5.478 -4.132 1.00 10.40 N ATOM 735 CA PHE A 48 -12.356 -4.380 -3.488 1.00 65.43 C ATOM 736 C PHE A 48 -11.941 -4.768 -2.072 1.00 2.15 C ATOM 737 O PHE A 48 -12.315 -5.830 -1.581 1.00 22.34 O ATOM 738 CB PHE A 48 -13.241 -3.126 -3.455 1.00 15.04 C ATOM 739 CG PHE A 48 -14.566 -3.326 -2.767 1.00 1.44 C ATOM 740 CD1 PHE A 48 -14.683 -3.170 -1.394 1.00 63.15 C ATOM 741 CD2 PHE A 48 -15.698 -3.669 -3.495 1.00 73.11 C ATOM 742 CE1 PHE A 48 -15.898 -3.353 -0.762 1.00 55.12 C ATOM 743 CE2 PHE A 48 -16.915 -3.852 -2.868 1.00 1.24 C ATOM 744 CZ PHE A 48 -17.015 -3.695 -1.500 1.00 43.14 C ATOM 0 H PHE A 48 -13.570 -6.086 -3.489 1.00 10.40 H new ATOM 0 HA PHE A 48 -11.457 -4.162 -4.065 1.00 65.43 H new ATOM 0 HB2 PHE A 48 -12.699 -2.325 -2.951 1.00 15.04 H new ATOM 0 HB3 PHE A 48 -13.421 -2.795 -4.478 1.00 15.04 H new ATOM 0 HD1 PHE A 48 -13.814 -2.902 -0.812 1.00 63.15 H new ATOM 0 HD2 PHE A 48 -15.626 -3.794 -4.565 1.00 73.11 H new ATOM 0 HE1 PHE A 48 -15.975 -3.229 0.308 1.00 55.12 H new ATOM 0 HE2 PHE A 48 -17.787 -4.118 -3.447 1.00 1.24 H new ATOM 0 HZ PHE A 48 -17.965 -3.839 -1.007 1.00 43.14 H new ATOM 754 N ILE A 49 -11.165 -3.911 -1.423 1.00 63.50 N ATOM 755 CA ILE A 49 -10.802 -4.115 -0.026 1.00 2.43 C ATOM 756 C ILE A 49 -11.189 -2.894 0.792 1.00 33.25 C ATOM 757 O ILE A 49 -11.769 -1.944 0.264 1.00 21.42 O ATOM 758 CB ILE A 49 -9.291 -4.411 0.196 1.00 62.31 C ATOM 759 CG1 ILE A 49 -8.410 -3.169 -0.051 1.00 1.44 C ATOM 760 CG2 ILE A 49 -8.832 -5.578 -0.665 1.00 61.35 C ATOM 761 CD1 ILE A 49 -8.393 -2.669 -1.478 1.00 62.41 C ATOM 0 H ILE A 49 -10.774 -3.067 -1.841 1.00 63.50 H new ATOM 0 HA ILE A 49 -11.351 -4.999 0.300 1.00 2.43 H new ATOM 0 HB ILE A 49 -9.172 -4.686 1.244 1.00 62.31 H new ATOM 0 HG12 ILE A 49 -8.756 -2.363 0.596 1.00 1.44 H new ATOM 0 HG13 ILE A 49 -7.388 -3.402 0.248 1.00 1.44 H new ATOM 0 HG21 ILE A 49 -7.772 -5.764 -0.491 1.00 61.35 H new ATOM 0 HG22 ILE A 49 -9.404 -6.469 -0.406 1.00 61.35 H new ATOM 0 HG23 ILE A 49 -8.990 -5.339 -1.717 1.00 61.35 H new ATOM 0 HD11 ILE A 49 -7.747 -1.794 -1.549 1.00 62.41 H new ATOM 0 HD12 ILE A 49 -8.016 -3.454 -2.134 1.00 62.41 H new ATOM 0 HD13 ILE A 49 -9.404 -2.398 -1.781 1.00 62.41 H new ATOM 773 N THR A 50 -10.875 -2.925 2.075 1.00 71.20 N ATOM 774 CA THR A 50 -11.149 -1.803 2.946 1.00 64.24 C ATOM 775 C THR A 50 -9.994 -1.638 3.941 1.00 52.23 C ATOM 776 O THR A 50 -8.985 -2.338 3.831 1.00 71.45 O ATOM 777 CB THR A 50 -12.482 -2.008 3.706 1.00 4.44 C ATOM 778 OG1 THR A 50 -13.423 -2.696 2.866 1.00 53.25 O ATOM 779 CG2 THR A 50 -13.086 -0.676 4.136 1.00 30.35 C ATOM 0 H THR A 50 -10.429 -3.719 2.535 1.00 71.20 H new ATOM 0 HA THR A 50 -11.241 -0.901 2.340 1.00 64.24 H new ATOM 0 HB THR A 50 -12.269 -2.600 4.596 1.00 4.44 H new ATOM 0 HG1 THR A 50 -14.264 -2.824 3.353 1.00 53.25 H new ATOM 0 HG21 THR A 50 -14.021 -0.855 4.667 1.00 30.35 H new ATOM 0 HG22 THR A 50 -12.389 -0.156 4.793 1.00 30.35 H new ATOM 0 HG23 THR A 50 -13.280 -0.063 3.256 1.00 30.35 H new ATOM 787 N GLY A 51 -10.151 -0.733 4.908 1.00 13.30 N ATOM 788 CA GLY A 51 -9.102 -0.467 5.879 1.00 72.53 C ATOM 789 C GLY A 51 -8.619 -1.711 6.604 1.00 30.42 C ATOM 790 O GLY A 51 -7.421 -1.884 6.802 1.00 62.11 O ATOM 0 H GLY A 51 -10.995 -0.175 5.035 1.00 13.30 H new ATOM 0 HA2 GLY A 51 -8.258 -0.001 5.371 1.00 72.53 H new ATOM 0 HA3 GLY A 51 -9.470 0.251 6.612 1.00 72.53 H new ATOM 794 N ASP A 52 -9.547 -2.582 6.996 1.00 10.10 N ATOM 795 CA ASP A 52 -9.191 -3.817 7.689 1.00 11.23 C ATOM 796 C ASP A 52 -8.313 -4.710 6.825 1.00 14.00 C ATOM 797 O ASP A 52 -7.332 -5.280 7.304 1.00 32.32 O ATOM 798 CB ASP A 52 -10.442 -4.581 8.112 1.00 34.32 C ATOM 799 CG ASP A 52 -11.026 -4.068 9.409 1.00 54.41 C ATOM 800 OD1 ASP A 52 -10.376 -4.239 10.464 1.00 51.20 O ATOM 801 OD2 ASP A 52 -12.140 -3.509 9.383 1.00 64.21 O ATOM 0 H ASP A 52 -10.548 -2.455 6.846 1.00 10.10 H new ATOM 0 HA ASP A 52 -8.626 -3.536 8.578 1.00 11.23 H new ATOM 0 HB2 ASP A 52 -11.193 -4.506 7.325 1.00 34.32 H new ATOM 0 HB3 ASP A 52 -10.198 -5.638 8.220 1.00 34.32 H new ATOM 806 N GLN A 53 -8.657 -4.816 5.549 1.00 21.44 N ATOM 807 CA GLN A 53 -7.893 -5.643 4.626 1.00 53.10 C ATOM 808 C GLN A 53 -6.498 -5.057 4.441 1.00 72.52 C ATOM 809 O GLN A 53 -5.513 -5.789 4.335 1.00 34.40 O ATOM 810 CB GLN A 53 -8.605 -5.749 3.275 1.00 74.05 C ATOM 811 CG GLN A 53 -10.048 -6.230 3.366 1.00 35.43 C ATOM 812 CD GLN A 53 -10.185 -7.553 4.096 1.00 53.11 C ATOM 813 OE1 GLN A 53 -10.364 -7.587 5.311 1.00 14.14 O ATOM 814 NE2 GLN A 53 -10.102 -8.651 3.359 1.00 73.13 N ATOM 0 H GLN A 53 -9.457 -4.342 5.131 1.00 21.44 H new ATOM 0 HA GLN A 53 -7.808 -6.645 5.046 1.00 53.10 H new ATOM 0 HB2 GLN A 53 -8.589 -4.773 2.791 1.00 74.05 H new ATOM 0 HB3 GLN A 53 -8.046 -6.431 2.635 1.00 74.05 H new ATOM 0 HG2 GLN A 53 -10.646 -5.475 3.877 1.00 35.43 H new ATOM 0 HG3 GLN A 53 -10.456 -6.332 2.360 1.00 35.43 H new ATOM 0 HE21 GLN A 53 -9.953 -8.580 2.353 1.00 73.13 H new ATOM 0 HE22 GLN A 53 -10.187 -9.568 3.798 1.00 73.13 H new ATOM 823 N ALA A 54 -6.428 -3.727 4.418 1.00 5.44 N ATOM 824 CA ALA A 54 -5.155 -3.021 4.335 1.00 64.33 C ATOM 825 C ALA A 54 -4.309 -3.309 5.569 1.00 74.20 C ATOM 826 O ALA A 54 -3.111 -3.569 5.467 1.00 62.14 O ATOM 827 CB ALA A 54 -5.390 -1.522 4.193 1.00 21.51 C ATOM 0 H ALA A 54 -7.244 -3.116 4.456 1.00 5.44 H new ATOM 0 HA ALA A 54 -4.618 -3.374 3.455 1.00 64.33 H new ATOM 0 HB1 ALA A 54 -4.431 -1.008 4.132 1.00 21.51 H new ATOM 0 HB2 ALA A 54 -5.964 -1.328 3.287 1.00 21.51 H new ATOM 0 HB3 ALA A 54 -5.943 -1.157 5.058 1.00 21.51 H new ATOM 833 N ARG A 55 -4.955 -3.265 6.734 1.00 24.34 N ATOM 834 CA ARG A 55 -4.297 -3.541 8.008 1.00 74.22 C ATOM 835 C ARG A 55 -3.562 -4.876 7.971 1.00 20.41 C ATOM 836 O ARG A 55 -2.382 -4.951 8.317 1.00 43.32 O ATOM 837 CB ARG A 55 -5.323 -3.552 9.148 1.00 12.01 C ATOM 838 CG ARG A 55 -5.917 -2.190 9.463 1.00 74.31 C ATOM 839 CD ARG A 55 -7.109 -2.308 10.399 1.00 12.41 C ATOM 840 NE ARG A 55 -7.604 -1.000 10.825 1.00 52.12 N ATOM 841 CZ ARG A 55 -8.785 -0.799 11.416 1.00 14.32 C ATOM 842 NH1 ARG A 55 -9.650 -1.796 11.555 1.00 25.54 N ATOM 843 NH2 ARG A 55 -9.110 0.413 11.849 1.00 23.43 N ATOM 0 H ARG A 55 -5.946 -3.038 6.820 1.00 24.34 H new ATOM 0 HA ARG A 55 -3.569 -2.749 8.183 1.00 74.22 H new ATOM 0 HB2 ARG A 55 -6.130 -4.237 8.889 1.00 12.01 H new ATOM 0 HB3 ARG A 55 -4.847 -3.945 10.046 1.00 12.01 H new ATOM 0 HG2 ARG A 55 -5.156 -1.556 9.918 1.00 74.31 H new ATOM 0 HG3 ARG A 55 -6.226 -1.703 8.538 1.00 74.31 H new ATOM 0 HD2 ARG A 55 -7.910 -2.853 9.899 1.00 12.41 H new ATOM 0 HD3 ARG A 55 -6.825 -2.891 11.275 1.00 12.41 H new ATOM 0 HE ARG A 55 -7.009 -0.188 10.660 1.00 52.12 H new ATOM 0 HH11 ARG A 55 -9.416 -2.726 11.209 1.00 25.54 H new ATOM 0 HH12 ARG A 55 -10.549 -1.632 12.008 1.00 25.54 H new ATOM 0 HH21 ARG A 55 -8.458 1.189 11.730 1.00 23.43 H new ATOM 0 HH22 ARG A 55 -10.011 0.569 12.301 1.00 23.43 H new ATOM 857 N ASN A 56 -4.259 -5.921 7.541 1.00 44.30 N ATOM 858 CA ASN A 56 -3.677 -7.256 7.500 1.00 74.02 C ATOM 859 C ASN A 56 -2.519 -7.326 6.509 1.00 40.22 C ATOM 860 O ASN A 56 -1.464 -7.875 6.824 1.00 71.11 O ATOM 861 CB ASN A 56 -4.739 -8.302 7.149 1.00 70.01 C ATOM 862 CG ASN A 56 -4.153 -9.697 7.002 1.00 11.44 C ATOM 863 OD1 ASN A 56 -3.832 -10.133 5.899 1.00 71.12 O ATOM 864 ND2 ASN A 56 -3.994 -10.400 8.112 1.00 0.42 N ATOM 0 H ASN A 56 -5.225 -5.870 7.217 1.00 44.30 H new ATOM 0 HA ASN A 56 -3.287 -7.475 8.494 1.00 74.02 H new ATOM 0 HB2 ASN A 56 -5.505 -8.313 7.925 1.00 70.01 H new ATOM 0 HB3 ASN A 56 -5.231 -8.018 6.219 1.00 70.01 H new ATOM 0 HD21 ASN A 56 -3.593 -11.337 8.069 1.00 0.42 H new ATOM 0 HD22 ASN A 56 -4.272 -10.005 9.010 1.00 0.42 H new ATOM 871 N PHE A 57 -2.713 -6.754 5.323 1.00 54.14 N ATOM 872 CA PHE A 57 -1.680 -6.756 4.289 1.00 15.05 C ATOM 873 C PHE A 57 -0.392 -6.120 4.802 1.00 12.30 C ATOM 874 O PHE A 57 0.695 -6.692 4.664 1.00 14.22 O ATOM 875 CB PHE A 57 -2.167 -6.010 3.046 1.00 22.24 C ATOM 876 CG PHE A 57 -1.156 -5.996 1.935 1.00 71.31 C ATOM 877 CD1 PHE A 57 -1.122 -7.014 0.996 1.00 62.25 C ATOM 878 CD2 PHE A 57 -0.227 -4.977 1.843 1.00 41.34 C ATOM 879 CE1 PHE A 57 -0.185 -7.009 -0.015 1.00 72.31 C ATOM 880 CE2 PHE A 57 0.714 -4.971 0.837 1.00 35.21 C ATOM 881 CZ PHE A 57 0.736 -5.988 -0.094 1.00 4.02 C ATOM 0 H PHE A 57 -3.577 -6.283 5.054 1.00 54.14 H new ATOM 0 HA PHE A 57 -1.473 -7.793 4.025 1.00 15.05 H new ATOM 0 HB2 PHE A 57 -3.086 -6.474 2.688 1.00 22.24 H new ATOM 0 HB3 PHE A 57 -2.413 -4.984 3.318 1.00 22.24 H new ATOM 0 HD1 PHE A 57 -1.838 -7.821 1.057 1.00 62.25 H new ATOM 0 HD2 PHE A 57 -0.239 -4.176 2.568 1.00 41.34 H new ATOM 0 HE1 PHE A 57 -0.173 -7.805 -0.745 1.00 72.31 H new ATOM 0 HE2 PHE A 57 1.435 -4.169 0.777 1.00 35.21 H new ATOM 0 HZ PHE A 57 1.473 -5.984 -0.883 1.00 4.02 H new ATOM 891 N PHE A 58 -0.516 -4.942 5.396 1.00 33.33 N ATOM 892 CA PHE A 58 0.648 -4.215 5.882 1.00 35.44 C ATOM 893 C PHE A 58 1.321 -4.982 7.017 1.00 43.41 C ATOM 894 O PHE A 58 2.545 -5.117 7.049 1.00 44.25 O ATOM 895 CB PHE A 58 0.267 -2.807 6.363 1.00 63.31 C ATOM 896 CG PHE A 58 -0.464 -1.962 5.351 1.00 33.13 C ATOM 897 CD1 PHE A 58 -0.350 -2.202 3.990 1.00 35.31 C ATOM 898 CD2 PHE A 58 -1.277 -0.924 5.775 1.00 44.13 C ATOM 899 CE1 PHE A 58 -1.031 -1.422 3.075 1.00 14.02 C ATOM 900 CE2 PHE A 58 -1.960 -0.142 4.863 1.00 4.32 C ATOM 901 CZ PHE A 58 -1.836 -0.391 3.512 1.00 63.31 C ATOM 0 H PHE A 58 -1.407 -4.471 5.553 1.00 33.33 H new ATOM 0 HA PHE A 58 1.346 -4.117 5.050 1.00 35.44 H new ATOM 0 HB2 PHE A 58 -0.355 -2.900 7.253 1.00 63.31 H new ATOM 0 HB3 PHE A 58 1.175 -2.284 6.662 1.00 63.31 H new ATOM 0 HD1 PHE A 58 0.278 -3.008 3.641 1.00 35.31 H new ATOM 0 HD2 PHE A 58 -1.378 -0.723 6.831 1.00 44.13 H new ATOM 0 HE1 PHE A 58 -0.933 -1.620 2.018 1.00 14.02 H new ATOM 0 HE2 PHE A 58 -2.591 0.664 5.208 1.00 4.32 H new ATOM 0 HZ PHE A 58 -2.368 0.220 2.798 1.00 63.31 H new ATOM 911 N PHE A 59 0.512 -5.503 7.936 1.00 51.44 N ATOM 912 CA PHE A 59 1.028 -6.209 9.103 1.00 65.25 C ATOM 913 C PHE A 59 1.711 -7.514 8.702 1.00 72.40 C ATOM 914 O PHE A 59 2.757 -7.869 9.246 1.00 75.43 O ATOM 915 CB PHE A 59 -0.105 -6.495 10.092 1.00 35.23 C ATOM 916 CG PHE A 59 0.374 -7.042 11.408 1.00 74.35 C ATOM 917 CD1 PHE A 59 0.989 -6.210 12.328 1.00 31.21 C ATOM 918 CD2 PHE A 59 0.212 -8.383 11.723 1.00 3.54 C ATOM 919 CE1 PHE A 59 1.436 -6.703 13.538 1.00 42.13 C ATOM 920 CE2 PHE A 59 0.656 -8.881 12.933 1.00 4.30 C ATOM 921 CZ PHE A 59 1.270 -8.040 13.841 1.00 64.04 C ATOM 0 H PHE A 59 -0.506 -5.449 7.894 1.00 51.44 H new ATOM 0 HA PHE A 59 1.770 -5.569 9.581 1.00 65.25 H new ATOM 0 HB2 PHE A 59 -0.662 -5.575 10.271 1.00 35.23 H new ATOM 0 HB3 PHE A 59 -0.799 -7.206 9.643 1.00 35.23 H new ATOM 0 HD1 PHE A 59 1.121 -5.163 12.097 1.00 31.21 H new ATOM 0 HD2 PHE A 59 -0.266 -9.044 11.016 1.00 3.54 H new ATOM 0 HE1 PHE A 59 1.915 -6.044 14.247 1.00 42.13 H new ATOM 0 HE2 PHE A 59 0.523 -9.927 13.169 1.00 4.30 H new ATOM 0 HZ PHE A 59 1.620 -8.428 14.786 1.00 64.04 H new ATOM 931 N GLN A 60 1.121 -8.208 7.733 1.00 60.42 N ATOM 932 CA GLN A 60 1.647 -9.485 7.247 1.00 72.53 C ATOM 933 C GLN A 60 3.063 -9.320 6.693 1.00 20.10 C ATOM 934 O GLN A 60 3.834 -10.273 6.642 1.00 43.03 O ATOM 935 CB GLN A 60 0.727 -10.045 6.156 1.00 54.41 C ATOM 936 CG GLN A 60 0.340 -11.508 6.342 1.00 60.42 C ATOM 937 CD GLN A 60 1.524 -12.457 6.303 1.00 23.31 C ATOM 938 OE1 GLN A 60 1.918 -12.936 5.241 1.00 62.21 O ATOM 939 NE2 GLN A 60 2.080 -12.757 7.466 1.00 23.10 N ATOM 0 H GLN A 60 0.268 -7.905 7.263 1.00 60.42 H new ATOM 0 HA GLN A 60 1.685 -10.180 8.086 1.00 72.53 H new ATOM 0 HB2 GLN A 60 -0.182 -9.444 6.121 1.00 54.41 H new ATOM 0 HB3 GLN A 60 1.220 -9.933 5.190 1.00 54.41 H new ATOM 0 HG2 GLN A 60 -0.175 -11.621 7.296 1.00 60.42 H new ATOM 0 HG3 GLN A 60 -0.368 -11.790 5.563 1.00 60.42 H new ATOM 0 HE21 GLN A 60 1.723 -12.338 8.325 1.00 23.10 H new ATOM 0 HE22 GLN A 60 2.865 -13.407 7.503 1.00 23.10 H new ATOM 948 N SER A 61 3.400 -8.101 6.298 1.00 73.43 N ATOM 949 CA SER A 61 4.704 -7.821 5.721 1.00 52.42 C ATOM 950 C SER A 61 5.774 -7.677 6.805 1.00 63.24 C ATOM 951 O SER A 61 6.968 -7.605 6.509 1.00 54.13 O ATOM 952 CB SER A 61 4.630 -6.560 4.863 1.00 33.34 C ATOM 953 OG SER A 61 3.640 -6.690 3.851 1.00 53.40 O ATOM 0 H SER A 61 2.786 -7.289 6.367 1.00 73.43 H new ATOM 0 HA SER A 61 4.989 -8.664 5.091 1.00 52.42 H new ATOM 0 HB2 SER A 61 4.401 -5.700 5.493 1.00 33.34 H new ATOM 0 HB3 SER A 61 5.601 -6.370 4.405 1.00 33.34 H new ATOM 0 HG SER A 61 2.750 -6.676 4.261 1.00 53.40 H new ATOM 959 N GLY A 62 5.345 -7.650 8.061 1.00 22.41 N ATOM 960 CA GLY A 62 6.284 -7.558 9.159 1.00 73.54 C ATOM 961 C GLY A 62 6.589 -6.128 9.546 1.00 33.10 C ATOM 962 O GLY A 62 7.747 -5.768 9.776 1.00 10.02 O ATOM 0 H GLY A 62 4.364 -7.690 8.337 1.00 22.41 H new ATOM 0 HA2 GLY A 62 5.880 -8.086 10.023 1.00 73.54 H new ATOM 0 HA3 GLY A 62 7.211 -8.061 8.883 1.00 73.54 H new ATOM 966 N LEU A 63 5.556 -5.304 9.605 1.00 24.32 N ATOM 967 CA LEU A 63 5.710 -3.925 10.047 1.00 21.31 C ATOM 968 C LEU A 63 4.866 -3.665 11.296 1.00 10.14 C ATOM 969 O LEU A 63 3.776 -4.217 11.437 1.00 3.13 O ATOM 970 CB LEU A 63 5.319 -2.962 8.922 1.00 54.21 C ATOM 971 CG LEU A 63 6.330 -2.850 7.774 1.00 73.15 C ATOM 972 CD1 LEU A 63 5.730 -2.072 6.616 1.00 12.12 C ATOM 973 CD2 LEU A 63 7.605 -2.172 8.259 1.00 33.12 C ATOM 0 H LEU A 63 4.602 -5.564 9.353 1.00 24.32 H new ATOM 0 HA LEU A 63 6.756 -3.755 10.301 1.00 21.31 H new ATOM 0 HB2 LEU A 63 4.361 -3.280 8.511 1.00 54.21 H new ATOM 0 HB3 LEU A 63 5.169 -1.971 9.350 1.00 54.21 H new ATOM 0 HG LEU A 63 6.577 -3.854 7.429 1.00 73.15 H new ATOM 0 HD11 LEU A 63 6.459 -2.001 5.809 1.00 12.12 H new ATOM 0 HD12 LEU A 63 4.839 -2.586 6.256 1.00 12.12 H new ATOM 0 HD13 LEU A 63 5.461 -1.070 6.951 1.00 12.12 H new ATOM 0 HD21 LEU A 63 8.314 -2.099 7.435 1.00 33.12 H new ATOM 0 HD22 LEU A 63 7.369 -1.173 8.625 1.00 33.12 H new ATOM 0 HD23 LEU A 63 8.045 -2.759 9.065 1.00 33.12 H new ATOM 985 N PRO A 64 5.377 -2.836 12.225 1.00 74.31 N ATOM 986 CA PRO A 64 4.677 -2.512 13.476 1.00 4.42 C ATOM 987 C PRO A 64 3.450 -1.622 13.265 1.00 34.40 C ATOM 988 O PRO A 64 3.316 -0.963 12.230 1.00 21.31 O ATOM 989 CB PRO A 64 5.735 -1.780 14.305 1.00 64.31 C ATOM 990 CG PRO A 64 6.698 -1.232 13.311 1.00 64.11 C ATOM 991 CD PRO A 64 6.693 -2.177 12.141 1.00 23.23 C ATOM 0 HA PRO A 64 4.286 -3.410 13.955 1.00 4.42 H new ATOM 0 HB2 PRO A 64 5.288 -0.984 14.900 1.00 64.31 H new ATOM 0 HB3 PRO A 64 6.230 -2.458 15.000 1.00 64.31 H new ATOM 0 HG2 PRO A 64 6.405 -0.229 13.000 1.00 64.11 H new ATOM 0 HG3 PRO A 64 7.696 -1.154 13.741 1.00 64.11 H new ATOM 0 HD2 PRO A 64 6.814 -1.645 11.197 1.00 23.23 H new ATOM 0 HD3 PRO A 64 7.507 -2.899 12.207 1.00 23.23 H new ATOM 999 N GLN A 65 2.590 -1.585 14.281 1.00 72.52 N ATOM 1000 CA GLN A 65 1.282 -0.927 14.208 1.00 52.22 C ATOM 1001 C GLN A 65 1.359 0.539 13.732 1.00 53.34 C ATOM 1002 O GLN A 65 0.691 0.900 12.760 1.00 4.24 O ATOM 1003 CB GLN A 65 0.590 -1.008 15.572 1.00 3.45 C ATOM 1004 CG GLN A 65 -0.858 -0.561 15.558 1.00 74.01 C ATOM 1005 CD GLN A 65 -1.466 -0.549 16.944 1.00 20.44 C ATOM 1006 OE1 GLN A 65 -2.010 -1.551 17.409 1.00 5.21 O ATOM 1007 NE2 GLN A 65 -1.389 0.590 17.611 1.00 13.41 N ATOM 0 H GLN A 65 2.781 -2.014 15.187 1.00 72.52 H new ATOM 0 HA GLN A 65 0.699 -1.460 13.457 1.00 52.22 H new ATOM 0 HB2 GLN A 65 0.638 -2.036 15.932 1.00 3.45 H new ATOM 0 HB3 GLN A 65 1.142 -0.395 16.284 1.00 3.45 H new ATOM 0 HG2 GLN A 65 -0.924 0.437 15.125 1.00 74.01 H new ATOM 0 HG3 GLN A 65 -1.435 -1.226 14.915 1.00 74.01 H new ATOM 0 HE21 GLN A 65 -0.930 1.398 17.190 1.00 13.41 H new ATOM 0 HE22 GLN A 65 -1.789 0.661 18.547 1.00 13.41 H new ATOM 1016 N PRO A 66 2.160 1.413 14.393 1.00 0.44 N ATOM 1017 CA PRO A 66 2.246 2.833 14.013 1.00 35.12 C ATOM 1018 C PRO A 66 2.752 3.022 12.585 1.00 33.43 C ATOM 1019 O PRO A 66 2.371 3.968 11.896 1.00 53.55 O ATOM 1020 CB PRO A 66 3.250 3.424 15.012 1.00 63.21 C ATOM 1021 CG PRO A 66 3.272 2.465 16.151 1.00 42.03 C ATOM 1022 CD PRO A 66 3.024 1.112 15.552 1.00 54.53 C ATOM 0 HA PRO A 66 1.268 3.313 14.041 1.00 35.12 H new ATOM 0 HB2 PRO A 66 4.238 3.527 14.564 1.00 63.21 H new ATOM 0 HB3 PRO A 66 2.943 4.418 15.339 1.00 63.21 H new ATOM 0 HG2 PRO A 66 4.231 2.494 16.668 1.00 42.03 H new ATOM 0 HG3 PRO A 66 2.506 2.713 16.886 1.00 42.03 H new ATOM 0 HD2 PRO A 66 3.953 0.629 15.248 1.00 54.53 H new ATOM 0 HD3 PRO A 66 2.533 0.442 16.258 1.00 54.53 H new ATOM 1030 N VAL A 67 3.603 2.104 12.144 1.00 41.15 N ATOM 1031 CA VAL A 67 4.160 2.151 10.801 1.00 41.34 C ATOM 1032 C VAL A 67 3.097 1.800 9.763 1.00 55.31 C ATOM 1033 O VAL A 67 3.064 2.370 8.671 1.00 62.53 O ATOM 1034 CB VAL A 67 5.371 1.199 10.681 1.00 62.01 C ATOM 1035 CG1 VAL A 67 5.821 1.053 9.240 1.00 62.54 C ATOM 1036 CG2 VAL A 67 6.520 1.701 11.543 1.00 51.32 C ATOM 0 H VAL A 67 3.923 1.313 12.703 1.00 41.15 H new ATOM 0 HA VAL A 67 4.502 3.168 10.609 1.00 41.34 H new ATOM 0 HB VAL A 67 5.061 0.216 11.035 1.00 62.01 H new ATOM 0 HG11 VAL A 67 6.674 0.377 9.192 1.00 62.54 H new ATOM 0 HG12 VAL A 67 5.004 0.649 8.643 1.00 62.54 H new ATOM 0 HG13 VAL A 67 6.109 2.029 8.848 1.00 62.54 H new ATOM 0 HG21 VAL A 67 7.368 1.022 11.450 1.00 51.32 H new ATOM 0 HG22 VAL A 67 6.815 2.697 11.212 1.00 51.32 H new ATOM 0 HG23 VAL A 67 6.202 1.744 12.585 1.00 51.32 H new ATOM 1046 N LEU A 68 2.217 0.875 10.122 1.00 74.01 N ATOM 1047 CA LEU A 68 1.101 0.498 9.262 1.00 33.54 C ATOM 1048 C LEU A 68 0.219 1.706 9.000 1.00 45.04 C ATOM 1049 O LEU A 68 -0.154 1.999 7.861 1.00 73.23 O ATOM 1050 CB LEU A 68 0.263 -0.587 9.933 1.00 2.21 C ATOM 1051 CG LEU A 68 1.030 -1.817 10.414 1.00 2.04 C ATOM 1052 CD1 LEU A 68 0.073 -2.856 10.976 1.00 4.00 C ATOM 1053 CD2 LEU A 68 1.861 -2.406 9.291 1.00 1.22 C ATOM 0 H LEU A 68 2.254 0.369 11.007 1.00 74.01 H new ATOM 0 HA LEU A 68 1.502 0.121 8.321 1.00 33.54 H new ATOM 0 HB2 LEU A 68 -0.252 -0.146 10.787 1.00 2.21 H new ATOM 0 HB3 LEU A 68 -0.505 -0.912 9.231 1.00 2.21 H new ATOM 0 HG LEU A 68 1.707 -1.508 11.210 1.00 2.04 H new ATOM 0 HD11 LEU A 68 0.637 -3.725 11.314 1.00 4.00 H new ATOM 0 HD12 LEU A 68 -0.474 -2.430 11.817 1.00 4.00 H new ATOM 0 HD13 LEU A 68 -0.631 -3.159 10.201 1.00 4.00 H new ATOM 0 HD21 LEU A 68 2.399 -3.281 9.656 1.00 1.22 H new ATOM 0 HD22 LEU A 68 1.207 -2.699 8.470 1.00 1.22 H new ATOM 0 HD23 LEU A 68 2.576 -1.662 8.938 1.00 1.22 H new ATOM 1065 N ALA A 69 -0.107 2.393 10.081 1.00 62.35 N ATOM 1066 CA ALA A 69 -0.920 3.597 10.029 1.00 75.11 C ATOM 1067 C ALA A 69 -0.275 4.664 9.153 1.00 25.14 C ATOM 1068 O ALA A 69 -0.963 5.376 8.426 1.00 13.12 O ATOM 1069 CB ALA A 69 -1.144 4.135 11.431 1.00 70.14 C ATOM 0 H ALA A 69 0.185 2.131 11.023 1.00 62.35 H new ATOM 0 HA ALA A 69 -1.881 3.336 9.587 1.00 75.11 H new ATOM 0 HB1 ALA A 69 -1.754 5.037 11.381 1.00 70.14 H new ATOM 0 HB2 ALA A 69 -1.656 3.383 12.032 1.00 70.14 H new ATOM 0 HB3 ALA A 69 -0.183 4.372 11.888 1.00 70.14 H new ATOM 1075 N GLN A 70 1.049 4.760 9.223 1.00 1.11 N ATOM 1076 CA GLN A 70 1.796 5.715 8.428 1.00 54.33 C ATOM 1077 C GLN A 70 1.576 5.457 6.943 1.00 13.11 C ATOM 1078 O GLN A 70 1.333 6.384 6.174 1.00 74.15 O ATOM 1079 CB GLN A 70 3.281 5.618 8.786 1.00 70.25 C ATOM 1080 CG GLN A 70 4.142 6.738 8.231 1.00 4.51 C ATOM 1081 CD GLN A 70 4.846 6.380 6.929 1.00 53.22 C ATOM 1082 OE1 GLN A 70 5.968 5.865 6.936 1.00 54.21 O ATOM 1083 NE2 GLN A 70 4.201 6.654 5.806 1.00 60.30 N ATOM 0 H GLN A 70 1.627 4.179 9.830 1.00 1.11 H new ATOM 0 HA GLN A 70 1.445 6.724 8.646 1.00 54.33 H new ATOM 0 HB2 GLN A 70 3.379 5.607 9.872 1.00 70.25 H new ATOM 0 HB3 GLN A 70 3.667 4.666 8.421 1.00 70.25 H new ATOM 0 HG2 GLN A 70 3.518 7.617 8.067 1.00 4.51 H new ATOM 0 HG3 GLN A 70 4.890 7.012 8.975 1.00 4.51 H new ATOM 0 HE21 GLN A 70 3.275 7.080 5.841 1.00 60.30 H new ATOM 0 HE22 GLN A 70 4.630 6.439 4.906 1.00 60.30 H new ATOM 1092 N ILE A 71 1.640 4.193 6.547 1.00 71.12 N ATOM 1093 CA ILE A 71 1.439 3.827 5.151 1.00 12.51 C ATOM 1094 C ILE A 71 0.007 4.111 4.731 1.00 65.53 C ATOM 1095 O ILE A 71 -0.234 4.711 3.688 1.00 62.05 O ATOM 1096 CB ILE A 71 1.768 2.337 4.909 1.00 73.51 C ATOM 1097 CG1 ILE A 71 3.262 2.094 5.110 1.00 53.10 C ATOM 1098 CG2 ILE A 71 1.349 1.907 3.507 1.00 64.41 C ATOM 1099 CD1 ILE A 71 3.595 0.675 5.496 1.00 2.00 C ATOM 0 H ILE A 71 1.829 3.407 7.169 1.00 71.12 H new ATOM 0 HA ILE A 71 2.118 4.431 4.549 1.00 12.51 H new ATOM 0 HB ILE A 71 1.208 1.740 5.629 1.00 73.51 H new ATOM 0 HG12 ILE A 71 3.790 2.345 4.190 1.00 53.10 H new ATOM 0 HG13 ILE A 71 3.631 2.768 5.883 1.00 53.10 H new ATOM 0 HG21 ILE A 71 1.591 0.854 3.362 1.00 64.41 H new ATOM 0 HG22 ILE A 71 0.275 2.052 3.388 1.00 64.41 H new ATOM 0 HG23 ILE A 71 1.880 2.507 2.768 1.00 64.41 H new ATOM 0 HD11 ILE A 71 4.673 0.576 5.622 1.00 2.00 H new ATOM 0 HD12 ILE A 71 3.096 0.426 6.432 1.00 2.00 H new ATOM 0 HD13 ILE A 71 3.257 -0.004 4.713 1.00 2.00 H new ATOM 1111 N TRP A 72 -0.933 3.706 5.570 1.00 5.20 N ATOM 1112 CA TRP A 72 -2.347 3.880 5.284 1.00 73.31 C ATOM 1113 C TRP A 72 -2.712 5.360 5.163 1.00 5.11 C ATOM 1114 O TRP A 72 -3.407 5.753 4.232 1.00 44.04 O ATOM 1115 CB TRP A 72 -3.181 3.213 6.380 1.00 50.21 C ATOM 1116 CG TRP A 72 -4.663 3.326 6.181 1.00 32.24 C ATOM 1117 CD1 TRP A 72 -5.337 3.345 4.995 1.00 53.14 C ATOM 1118 CD2 TRP A 72 -5.653 3.423 7.207 1.00 23.01 C ATOM 1119 NE1 TRP A 72 -6.684 3.463 5.222 1.00 32.20 N ATOM 1120 CE2 TRP A 72 -6.904 3.507 6.572 1.00 61.31 C ATOM 1121 CE3 TRP A 72 -5.601 3.451 8.603 1.00 41.21 C ATOM 1122 CZ2 TRP A 72 -8.095 3.612 7.288 1.00 11.11 C ATOM 1123 CZ3 TRP A 72 -6.782 3.555 9.311 1.00 74.42 C ATOM 1124 CH2 TRP A 72 -8.015 3.632 8.653 1.00 11.12 C ATOM 0 H TRP A 72 -0.739 3.251 6.462 1.00 5.20 H new ATOM 0 HA TRP A 72 -2.564 3.407 4.327 1.00 73.31 H new ATOM 0 HB2 TRP A 72 -2.913 2.158 6.434 1.00 50.21 H new ATOM 0 HB3 TRP A 72 -2.920 3.657 7.340 1.00 50.21 H new ATOM 0 HD1 TRP A 72 -4.877 3.277 4.020 1.00 53.14 H new ATOM 0 HE1 TRP A 72 -7.405 3.510 4.502 1.00 32.20 H new ATOM 0 HE3 TRP A 72 -4.654 3.392 9.119 1.00 41.21 H new ATOM 0 HZ2 TRP A 72 -9.047 3.675 6.783 1.00 11.11 H new ATOM 0 HZ3 TRP A 72 -6.754 3.577 10.390 1.00 74.42 H new ATOM 0 HH2 TRP A 72 -8.921 3.709 9.235 1.00 11.12 H new ATOM 1135 N ALA A 73 -2.216 6.179 6.088 1.00 52.24 N ATOM 1136 CA ALA A 73 -2.566 7.599 6.123 1.00 4.34 C ATOM 1137 C ALA A 73 -2.134 8.319 4.843 1.00 63.44 C ATOM 1138 O ALA A 73 -2.762 9.290 4.419 1.00 1.05 O ATOM 1139 CB ALA A 73 -1.945 8.266 7.341 1.00 32.32 C ATOM 0 H ALA A 73 -1.572 5.885 6.822 1.00 52.24 H new ATOM 0 HA ALA A 73 -3.651 7.671 6.192 1.00 4.34 H new ATOM 0 HB1 ALA A 73 -2.214 9.322 7.354 1.00 32.32 H new ATOM 0 HB2 ALA A 73 -2.315 7.786 8.247 1.00 32.32 H new ATOM 0 HB3 ALA A 73 -0.860 8.168 7.296 1.00 32.32 H new ATOM 1145 N LEU A 74 -1.045 7.854 4.248 1.00 21.25 N ATOM 1146 CA LEU A 74 -0.545 8.421 3.008 1.00 65.43 C ATOM 1147 C LEU A 74 -1.174 7.767 1.783 1.00 15.13 C ATOM 1148 O LEU A 74 -1.303 8.398 0.736 1.00 54.44 O ATOM 1149 CB LEU A 74 0.964 8.244 2.929 1.00 31.20 C ATOM 1150 CG LEU A 74 1.799 9.327 3.611 1.00 5.34 C ATOM 1151 CD1 LEU A 74 1.766 9.180 5.124 1.00 15.41 C ATOM 1152 CD2 LEU A 74 3.228 9.289 3.089 1.00 22.14 C ATOM 0 H LEU A 74 -0.488 7.079 4.609 1.00 21.25 H new ATOM 0 HA LEU A 74 -0.810 9.478 3.010 1.00 65.43 H new ATOM 0 HB2 LEU A 74 1.221 7.282 3.371 1.00 31.20 H new ATOM 0 HB3 LEU A 74 1.251 8.199 1.878 1.00 31.20 H new ATOM 0 HG LEU A 74 1.365 10.298 3.370 1.00 5.34 H new ATOM 0 HD11 LEU A 74 2.370 9.965 5.579 1.00 15.41 H new ATOM 0 HD12 LEU A 74 0.738 9.263 5.475 1.00 15.41 H new ATOM 0 HD13 LEU A 74 2.167 8.206 5.404 1.00 15.41 H new ATOM 0 HD21 LEU A 74 3.816 10.064 3.581 1.00 22.14 H new ATOM 0 HD22 LEU A 74 3.666 8.313 3.299 1.00 22.14 H new ATOM 0 HD23 LEU A 74 3.227 9.462 2.013 1.00 22.14 H new ATOM 1164 N ALA A 75 -1.575 6.513 1.929 1.00 64.40 N ATOM 1165 CA ALA A 75 -1.997 5.698 0.796 1.00 32.35 C ATOM 1166 C ALA A 75 -3.228 6.262 0.102 1.00 14.00 C ATOM 1167 O ALA A 75 -3.137 6.738 -1.032 1.00 63.41 O ATOM 1168 CB ALA A 75 -2.255 4.268 1.239 1.00 64.44 C ATOM 0 H ALA A 75 -1.618 6.033 2.828 1.00 64.40 H new ATOM 0 HA ALA A 75 -1.182 5.712 0.072 1.00 32.35 H new ATOM 0 HB1 ALA A 75 -2.569 3.673 0.382 1.00 64.44 H new ATOM 0 HB2 ALA A 75 -1.341 3.847 1.658 1.00 64.44 H new ATOM 0 HB3 ALA A 75 -3.040 4.257 1.995 1.00 64.44 H new ATOM 1174 N ASP A 76 -4.380 6.212 0.756 1.00 31.32 N ATOM 1175 CA ASP A 76 -5.580 6.716 0.136 1.00 45.11 C ATOM 1176 C ASP A 76 -5.680 8.218 0.341 1.00 43.30 C ATOM 1177 O ASP A 76 -6.146 8.699 1.367 1.00 54.32 O ATOM 1178 CB ASP A 76 -6.843 5.978 0.614 1.00 32.55 C ATOM 1179 CG ASP A 76 -7.081 5.996 2.112 1.00 51.43 C ATOM 1180 OD1 ASP A 76 -6.194 5.567 2.864 1.00 42.10 O ATOM 1181 OD2 ASP A 76 -8.195 6.399 2.525 1.00 41.23 O ATOM 0 H ASP A 76 -4.501 5.835 1.696 1.00 31.32 H new ATOM 0 HA ASP A 76 -5.514 6.521 -0.934 1.00 45.11 H new ATOM 0 HB2 ASP A 76 -7.709 6.419 0.121 1.00 32.55 H new ATOM 0 HB3 ASP A 76 -6.783 4.940 0.285 1.00 32.55 H new ATOM 1186 N MET A 77 -5.191 8.947 -0.656 1.00 12.12 N ATOM 1187 CA MET A 77 -5.184 10.410 -0.649 1.00 54.22 C ATOM 1188 C MET A 77 -6.590 10.981 -0.527 1.00 22.42 C ATOM 1189 O MET A 77 -6.791 12.056 0.030 1.00 2.50 O ATOM 1190 CB MET A 77 -4.513 10.919 -1.921 1.00 20.34 C ATOM 1191 CG MET A 77 -5.091 10.333 -3.201 1.00 33.31 C ATOM 1192 SD MET A 77 -4.051 10.649 -4.638 1.00 42.22 S ATOM 1193 CE MET A 77 -2.547 9.810 -4.147 1.00 52.14 C ATOM 0 H MET A 77 -4.785 8.539 -1.498 1.00 12.12 H new ATOM 0 HA MET A 77 -4.622 10.745 0.223 1.00 54.22 H new ATOM 0 HB2 MET A 77 -4.602 12.005 -1.958 1.00 20.34 H new ATOM 0 HB3 MET A 77 -3.449 10.688 -1.876 1.00 20.34 H new ATOM 0 HG2 MET A 77 -5.219 9.257 -3.079 1.00 33.31 H new ATOM 0 HG3 MET A 77 -6.081 10.754 -3.374 1.00 33.31 H new ATOM 0 HE1 MET A 77 -1.742 10.537 -4.043 1.00 52.14 H new ATOM 0 HE2 MET A 77 -2.706 9.306 -3.194 1.00 52.14 H new ATOM 0 HE3 MET A 77 -2.276 9.075 -4.905 1.00 52.14 H new ATOM 1203 N ASN A 78 -7.554 10.251 -1.060 1.00 52.20 N ATOM 1204 CA ASN A 78 -8.964 10.620 -0.932 1.00 14.05 C ATOM 1205 C ASN A 78 -9.421 10.472 0.519 1.00 31.33 C ATOM 1206 O ASN A 78 -10.470 10.983 0.909 1.00 62.05 O ATOM 1207 CB ASN A 78 -9.814 9.740 -1.862 1.00 4.10 C ATOM 1208 CG ASN A 78 -11.308 10.006 -1.757 1.00 61.52 C ATOM 1209 OD1 ASN A 78 -12.010 9.160 -1.017 1.00 73.02 O flip ATOM 1210 ND2 ASN A 78 -11.828 10.941 -2.368 1.00 14.54 N flip ATOM 0 H ASN A 78 -7.391 9.394 -1.589 1.00 52.20 H new ATOM 0 HA ASN A 78 -9.090 11.663 -1.222 1.00 14.05 H new ATOM 0 HB2 ASN A 78 -9.496 9.902 -2.892 1.00 4.10 H new ATOM 0 HB3 ASN A 78 -9.623 8.692 -1.631 1.00 4.10 H new ATOM 0 HD21 ASN A 78 -11.250 11.569 -2.927 1.00 14.54 H new ATOM 0 HD22 ASN A 78 -12.836 11.087 -2.315 1.00 14.54 H new ATOM 1217 N ASN A 79 -8.585 9.802 1.309 1.00 5.12 N ATOM 1218 CA ASN A 79 -8.828 9.548 2.728 1.00 64.43 C ATOM 1219 C ASN A 79 -10.244 9.046 2.966 1.00 63.20 C ATOM 1220 O ASN A 79 -11.082 9.735 3.551 1.00 20.54 O ATOM 1221 CB ASN A 79 -8.550 10.794 3.573 1.00 62.54 C ATOM 1222 CG ASN A 79 -8.374 10.464 5.047 1.00 32.31 C ATOM 1223 OD1 ASN A 79 -7.768 9.317 5.339 1.00 64.04 O flip ATOM 1224 ND2 ASN A 79 -8.763 11.240 5.915 1.00 53.32 N flip ATOM 0 H ASN A 79 -7.703 9.413 0.975 1.00 5.12 H new ATOM 0 HA ASN A 79 -8.135 8.766 3.040 1.00 64.43 H new ATOM 0 HB2 ASN A 79 -7.651 11.288 3.204 1.00 62.54 H new ATOM 0 HB3 ASN A 79 -9.372 11.500 3.457 1.00 62.54 H new ATOM 0 HD21 ASN A 79 -9.224 12.111 5.651 1.00 53.32 H new ATOM 0 HD22 ASN A 79 -8.625 11.014 6.900 1.00 53.32 H new ATOM 1231 N ASP A 80 -10.505 7.846 2.487 1.00 40.44 N ATOM 1232 CA ASP A 80 -11.818 7.236 2.629 1.00 30.35 C ATOM 1233 C ASP A 80 -11.768 6.156 3.696 1.00 11.42 C ATOM 1234 O ASP A 80 -12.800 5.732 4.218 1.00 61.15 O ATOM 1235 CB ASP A 80 -12.282 6.648 1.292 1.00 73.35 C ATOM 1236 CG ASP A 80 -13.745 6.246 1.298 1.00 11.22 C ATOM 1237 OD1 ASP A 80 -14.609 7.146 1.288 1.00 33.43 O ATOM 1238 OD2 ASP A 80 -14.037 5.033 1.293 1.00 51.14 O ATOM 0 H ASP A 80 -9.824 7.269 1.993 1.00 40.44 H new ATOM 0 HA ASP A 80 -12.534 8.000 2.932 1.00 30.35 H new ATOM 0 HB2 ASP A 80 -12.115 7.380 0.502 1.00 73.35 H new ATOM 0 HB3 ASP A 80 -11.672 5.777 1.053 1.00 73.35 H new ATOM 1243 N GLY A 81 -10.554 5.739 4.045 1.00 4.43 N ATOM 1244 CA GLY A 81 -10.389 4.655 4.988 1.00 64.34 C ATOM 1245 C GLY A 81 -10.795 3.342 4.372 1.00 74.12 C ATOM 1246 O GLY A 81 -11.358 2.470 5.034 1.00 2.43 O ATOM 0 H GLY A 81 -9.684 6.135 3.690 1.00 4.43 H new ATOM 0 HA2 GLY A 81 -9.349 4.604 5.311 1.00 64.34 H new ATOM 0 HA3 GLY A 81 -10.990 4.846 5.877 1.00 64.34 H new ATOM 1250 N ARG A 82 -10.503 3.210 3.088 1.00 24.34 N ATOM 1251 CA ARG A 82 -10.945 2.068 2.306 1.00 34.13 C ATOM 1252 C ARG A 82 -9.902 1.722 1.260 1.00 25.11 C ATOM 1253 O ARG A 82 -9.564 0.557 1.079 1.00 72.31 O ATOM 1254 CB ARG A 82 -12.268 2.406 1.621 1.00 44.30 C ATOM 1255 CG ARG A 82 -12.878 1.267 0.819 1.00 13.21 C ATOM 1256 CD ARG A 82 -14.092 1.752 0.047 1.00 32.53 C ATOM 1257 NE ARG A 82 -14.833 0.660 -0.584 1.00 33.10 N ATOM 1258 CZ ARG A 82 -15.939 0.849 -1.307 1.00 4.35 C ATOM 1259 NH1 ARG A 82 -16.358 2.082 -1.575 1.00 30.31 N ATOM 1260 NH2 ARG A 82 -16.609 -0.193 -1.785 1.00 23.44 N ATOM 0 H ARG A 82 -9.955 3.889 2.561 1.00 24.34 H new ATOM 0 HA ARG A 82 -11.083 1.211 2.965 1.00 34.13 H new ATOM 0 HB2 ARG A 82 -12.984 2.722 2.380 1.00 44.30 H new ATOM 0 HB3 ARG A 82 -12.111 3.256 0.957 1.00 44.30 H new ATOM 0 HG2 ARG A 82 -12.138 0.863 0.128 1.00 13.21 H new ATOM 0 HG3 ARG A 82 -13.165 0.456 1.488 1.00 13.21 H new ATOM 0 HD2 ARG A 82 -14.755 2.293 0.723 1.00 32.53 H new ATOM 0 HD3 ARG A 82 -13.772 2.459 -0.719 1.00 32.53 H new ATOM 0 HE ARG A 82 -14.488 -0.292 -0.466 1.00 33.10 H new ATOM 0 HH11 ARG A 82 -15.834 2.885 -1.228 1.00 30.31 H new ATOM 0 HH12 ARG A 82 -17.203 2.225 -2.128 1.00 30.31 H new ATOM 0 HH21 ARG A 82 -16.279 -1.140 -1.600 1.00 23.44 H new ATOM 0 HH22 ARG A 82 -17.454 -0.046 -2.337 1.00 23.44 H new ATOM 1274 N MET A 83 -9.413 2.777 0.608 1.00 11.12 N ATOM 1275 CA MET A 83 -8.432 2.719 -0.488 1.00 23.42 C ATOM 1276 C MET A 83 -8.899 1.833 -1.646 1.00 50.10 C ATOM 1277 O MET A 83 -9.095 0.627 -1.506 1.00 11.12 O ATOM 1278 CB MET A 83 -7.019 2.313 -0.008 1.00 44.31 C ATOM 1279 CG MET A 83 -6.823 0.838 0.316 1.00 52.52 C ATOM 1280 SD MET A 83 -5.101 0.435 0.679 1.00 21.25 S ATOM 1281 CE MET A 83 -4.767 1.566 2.027 1.00 72.32 C ATOM 0 H MET A 83 -9.696 3.731 0.832 1.00 11.12 H new ATOM 0 HA MET A 83 -8.359 3.738 -0.867 1.00 23.42 H new ATOM 0 HB2 MET A 83 -6.300 2.594 -0.778 1.00 44.31 H new ATOM 0 HB3 MET A 83 -6.778 2.895 0.881 1.00 44.31 H new ATOM 0 HG2 MET A 83 -7.444 0.571 1.171 1.00 52.52 H new ATOM 0 HG3 MET A 83 -7.164 0.236 -0.526 1.00 52.52 H new ATOM 0 HE1 MET A 83 -4.061 1.108 2.720 1.00 72.32 H new ATOM 0 HE2 MET A 83 -4.341 2.488 1.631 1.00 72.32 H new ATOM 0 HE3 MET A 83 -5.696 1.791 2.551 1.00 72.32 H new ATOM 1291 N ASP A 84 -9.096 2.454 -2.796 1.00 12.20 N ATOM 1292 CA ASP A 84 -9.431 1.719 -4.005 1.00 74.51 C ATOM 1293 C ASP A 84 -8.154 1.100 -4.562 1.00 23.10 C ATOM 1294 O ASP A 84 -7.074 1.342 -4.031 1.00 40.33 O ATOM 1295 CB ASP A 84 -10.079 2.655 -5.030 1.00 33.12 C ATOM 1296 CG ASP A 84 -10.815 1.928 -6.138 1.00 45.12 C ATOM 1297 OD1 ASP A 84 -10.175 1.551 -7.142 1.00 71.40 O ATOM 1298 OD2 ASP A 84 -12.044 1.743 -6.017 1.00 42.31 O ATOM 0 H ASP A 84 -9.030 3.464 -2.919 1.00 12.20 H new ATOM 0 HA ASP A 84 -10.148 0.929 -3.779 1.00 74.51 H new ATOM 0 HB2 ASP A 84 -10.776 3.316 -4.515 1.00 33.12 H new ATOM 0 HB3 ASP A 84 -9.308 3.286 -5.471 1.00 33.12 H new ATOM 1303 N GLN A 85 -8.270 0.306 -5.615 1.00 3.33 N ATOM 1304 CA GLN A 85 -7.111 -0.363 -6.206 1.00 24.24 C ATOM 1305 C GLN A 85 -6.008 0.604 -6.616 1.00 11.23 C ATOM 1306 O GLN A 85 -4.849 0.205 -6.702 1.00 0.33 O ATOM 1307 CB GLN A 85 -7.531 -1.230 -7.389 1.00 11.32 C ATOM 1308 CG GLN A 85 -8.222 -2.506 -6.956 1.00 2.51 C ATOM 1309 CD GLN A 85 -7.559 -3.109 -5.734 1.00 52.33 C ATOM 1310 OE1 GLN A 85 -8.077 -2.783 -4.556 1.00 12.54 O flip ATOM 1311 NE2 GLN A 85 -6.594 -3.865 -5.848 1.00 23.13 N flip ATOM 0 H GLN A 85 -9.155 0.106 -6.082 1.00 3.33 H new ATOM 0 HA GLN A 85 -6.693 -1.000 -5.427 1.00 24.24 H new ATOM 0 HB2 GLN A 85 -8.199 -0.660 -8.034 1.00 11.32 H new ATOM 0 HB3 GLN A 85 -6.652 -1.480 -7.982 1.00 11.32 H new ATOM 0 HG2 GLN A 85 -9.269 -2.298 -6.738 1.00 2.51 H new ATOM 0 HG3 GLN A 85 -8.204 -3.226 -7.774 1.00 2.51 H new ATOM 0 HE21 GLN A 85 -6.228 -4.089 -6.773 1.00 23.13 H new ATOM 0 HE22 GLN A 85 -6.161 -4.268 -5.017 1.00 23.13 H new ATOM 1320 N VAL A 86 -6.343 1.860 -6.860 1.00 40.40 N ATOM 1321 CA VAL A 86 -5.322 2.857 -7.148 1.00 74.31 C ATOM 1322 C VAL A 86 -4.492 3.118 -5.893 1.00 32.41 C ATOM 1323 O VAL A 86 -3.269 2.970 -5.903 1.00 63.55 O ATOM 1324 CB VAL A 86 -5.930 4.182 -7.659 1.00 11.22 C ATOM 1325 CG1 VAL A 86 -4.838 5.207 -7.933 1.00 60.33 C ATOM 1326 CG2 VAL A 86 -6.762 3.938 -8.905 1.00 21.42 C ATOM 0 H VAL A 86 -7.300 2.212 -6.865 1.00 40.40 H new ATOM 0 HA VAL A 86 -4.687 2.461 -7.941 1.00 74.31 H new ATOM 0 HB VAL A 86 -6.582 4.582 -6.883 1.00 11.22 H new ATOM 0 HG11 VAL A 86 -5.289 6.132 -8.292 1.00 60.33 H new ATOM 0 HG12 VAL A 86 -4.286 5.405 -7.014 1.00 60.33 H new ATOM 0 HG13 VAL A 86 -4.156 4.819 -8.689 1.00 60.33 H new ATOM 0 HG21 VAL A 86 -7.183 4.882 -9.252 1.00 21.42 H new ATOM 0 HG22 VAL A 86 -6.132 3.513 -9.686 1.00 21.42 H new ATOM 0 HG23 VAL A 86 -7.570 3.244 -8.673 1.00 21.42 H new ATOM 1336 N GLU A 87 -5.172 3.469 -4.807 1.00 51.54 N ATOM 1337 CA GLU A 87 -4.507 3.710 -3.534 1.00 61.14 C ATOM 1338 C GLU A 87 -3.907 2.417 -2.984 1.00 32.44 C ATOM 1339 O GLU A 87 -2.915 2.440 -2.261 1.00 43.44 O ATOM 1340 CB GLU A 87 -5.475 4.307 -2.512 1.00 40.43 C ATOM 1341 CG GLU A 87 -6.235 5.531 -3.005 1.00 35.52 C ATOM 1342 CD GLU A 87 -7.559 5.173 -3.645 1.00 55.13 C ATOM 1343 OE1 GLU A 87 -7.575 4.844 -4.847 1.00 53.13 O ATOM 1344 OE2 GLU A 87 -8.589 5.205 -2.936 1.00 54.14 O ATOM 0 H GLU A 87 -6.184 3.593 -4.784 1.00 51.54 H new ATOM 0 HA GLU A 87 -3.704 4.426 -3.712 1.00 61.14 H new ATOM 0 HB2 GLU A 87 -6.194 3.541 -2.220 1.00 40.43 H new ATOM 0 HB3 GLU A 87 -4.917 4.578 -1.616 1.00 40.43 H new ATOM 0 HG2 GLU A 87 -6.411 6.207 -2.168 1.00 35.52 H new ATOM 0 HG3 GLU A 87 -5.621 6.070 -3.726 1.00 35.52 H new ATOM 1351 N PHE A 88 -4.515 1.292 -3.328 1.00 63.35 N ATOM 1352 CA PHE A 88 -3.993 -0.009 -2.933 1.00 4.10 C ATOM 1353 C PHE A 88 -2.670 -0.289 -3.637 1.00 13.51 C ATOM 1354 O PHE A 88 -1.736 -0.826 -3.041 1.00 64.43 O ATOM 1355 CB PHE A 88 -5.006 -1.116 -3.249 1.00 62.15 C ATOM 1356 CG PHE A 88 -4.511 -2.498 -2.926 1.00 20.03 C ATOM 1357 CD1 PHE A 88 -4.515 -2.962 -1.622 1.00 74.12 C ATOM 1358 CD2 PHE A 88 -4.041 -3.330 -3.929 1.00 73.21 C ATOM 1359 CE1 PHE A 88 -4.057 -4.230 -1.323 1.00 22.42 C ATOM 1360 CE2 PHE A 88 -3.583 -4.599 -3.639 1.00 1.20 C ATOM 1361 CZ PHE A 88 -3.590 -5.050 -2.335 1.00 32.34 C ATOM 0 H PHE A 88 -5.371 1.253 -3.881 1.00 63.35 H new ATOM 0 HA PHE A 88 -3.820 0.005 -1.857 1.00 4.10 H new ATOM 0 HB2 PHE A 88 -5.923 -0.928 -2.690 1.00 62.15 H new ATOM 0 HB3 PHE A 88 -5.263 -1.070 -4.307 1.00 62.15 H new ATOM 0 HD1 PHE A 88 -4.880 -2.325 -0.830 1.00 74.12 H new ATOM 0 HD2 PHE A 88 -4.033 -2.981 -4.951 1.00 73.21 H new ATOM 0 HE1 PHE A 88 -4.063 -4.581 -0.302 1.00 22.42 H new ATOM 0 HE2 PHE A 88 -3.220 -5.238 -4.431 1.00 1.20 H new ATOM 0 HZ PHE A 88 -3.231 -6.042 -2.104 1.00 32.34 H new ATOM 1371 N SER A 89 -2.586 0.103 -4.902 1.00 51.14 N ATOM 1372 CA SER A 89 -1.387 -0.137 -5.693 1.00 33.14 C ATOM 1373 C SER A 89 -0.210 0.673 -5.157 1.00 30.31 C ATOM 1374 O SER A 89 0.929 0.209 -5.152 1.00 74.43 O ATOM 1375 CB SER A 89 -1.631 0.197 -7.166 1.00 55.22 C ATOM 1376 OG SER A 89 -2.618 -0.655 -7.723 1.00 14.20 O ATOM 0 H SER A 89 -3.332 0.587 -5.401 1.00 51.14 H new ATOM 0 HA SER A 89 -1.142 -1.196 -5.614 1.00 33.14 H new ATOM 0 HB2 SER A 89 -1.947 1.236 -7.260 1.00 55.22 H new ATOM 0 HB3 SER A 89 -0.701 0.096 -7.725 1.00 55.22 H new ATOM 0 HG SER A 89 -3.497 -0.418 -7.361 1.00 14.20 H new ATOM 1382 N ILE A 90 -0.491 1.879 -4.688 1.00 11.31 N ATOM 1383 CA ILE A 90 0.551 2.742 -4.158 1.00 32.13 C ATOM 1384 C ILE A 90 0.911 2.337 -2.725 1.00 43.11 C ATOM 1385 O ILE A 90 2.060 2.465 -2.304 1.00 43.33 O ATOM 1386 CB ILE A 90 0.131 4.236 -4.229 1.00 70.14 C ATOM 1387 CG1 ILE A 90 1.279 5.150 -3.807 1.00 40.15 C ATOM 1388 CG2 ILE A 90 -1.092 4.507 -3.372 1.00 64.44 C ATOM 1389 CD1 ILE A 90 0.964 6.619 -3.980 1.00 0.04 C ATOM 0 H ILE A 90 -1.428 2.280 -4.664 1.00 11.31 H new ATOM 0 HA ILE A 90 1.439 2.620 -4.778 1.00 32.13 H new ATOM 0 HB ILE A 90 -0.122 4.452 -5.267 1.00 70.14 H new ATOM 0 HG12 ILE A 90 1.523 4.958 -2.762 1.00 40.15 H new ATOM 0 HG13 ILE A 90 2.165 4.904 -4.392 1.00 40.15 H new ATOM 0 HG21 ILE A 90 -1.360 5.561 -3.444 1.00 64.44 H new ATOM 0 HG22 ILE A 90 -1.924 3.896 -3.722 1.00 64.44 H new ATOM 0 HG23 ILE A 90 -0.871 4.258 -2.334 1.00 64.44 H new ATOM 0 HD11 ILE A 90 1.820 7.215 -3.662 1.00 0.04 H new ATOM 0 HD12 ILE A 90 0.748 6.824 -5.029 1.00 0.04 H new ATOM 0 HD13 ILE A 90 0.096 6.879 -3.374 1.00 0.04 H new ATOM 1401 N ALA A 91 -0.064 1.800 -1.995 1.00 65.21 N ATOM 1402 CA ALA A 91 0.155 1.383 -0.616 1.00 42.25 C ATOM 1403 C ALA A 91 0.992 0.113 -0.543 1.00 20.13 C ATOM 1404 O ALA A 91 1.842 -0.026 0.335 1.00 72.11 O ATOM 1405 CB ALA A 91 -1.173 1.168 0.087 1.00 63.10 C ATOM 0 H ALA A 91 -1.012 1.644 -2.337 1.00 65.21 H new ATOM 0 HA ALA A 91 0.704 2.179 -0.113 1.00 42.25 H new ATOM 0 HB1 ALA A 91 -0.994 0.857 1.116 1.00 63.10 H new ATOM 0 HB2 ALA A 91 -1.742 2.098 0.083 1.00 63.10 H new ATOM 0 HB3 ALA A 91 -1.739 0.395 -0.433 1.00 63.10 H new ATOM 1411 N MET A 92 0.774 -0.801 -1.481 1.00 21.24 N ATOM 1412 CA MET A 92 1.511 -2.061 -1.499 1.00 50.11 C ATOM 1413 C MET A 92 2.955 -1.822 -1.927 1.00 62.33 C ATOM 1414 O MET A 92 3.855 -2.589 -1.581 1.00 71.31 O ATOM 1415 CB MET A 92 0.826 -3.084 -2.421 1.00 2.22 C ATOM 1416 CG MET A 92 0.856 -2.733 -3.904 1.00 52.13 C ATOM 1417 SD MET A 92 2.402 -3.203 -4.713 1.00 11.10 S ATOM 1418 CE MET A 92 2.162 -2.504 -6.343 1.00 61.20 C ATOM 0 H MET A 92 0.097 -0.695 -2.236 1.00 21.24 H new ATOM 0 HA MET A 92 1.515 -2.473 -0.490 1.00 50.11 H new ATOM 0 HB2 MET A 92 1.304 -4.054 -2.282 1.00 2.22 H new ATOM 0 HB3 MET A 92 -0.213 -3.194 -2.109 1.00 2.22 H new ATOM 0 HG2 MET A 92 0.025 -3.229 -4.405 1.00 52.13 H new ATOM 0 HG3 MET A 92 0.704 -1.660 -4.020 1.00 52.13 H new ATOM 0 HE1 MET A 92 2.341 -3.270 -7.097 1.00 61.20 H new ATOM 0 HE2 MET A 92 1.140 -2.137 -6.435 1.00 61.20 H new ATOM 0 HE3 MET A 92 2.858 -1.679 -6.491 1.00 61.20 H new ATOM 1428 N LYS A 93 3.165 -0.742 -2.669 1.00 31.25 N ATOM 1429 CA LYS A 93 4.493 -0.372 -3.125 1.00 75.33 C ATOM 1430 C LYS A 93 5.284 0.253 -1.982 1.00 73.51 C ATOM 1431 O LYS A 93 6.486 0.021 -1.842 1.00 12.31 O ATOM 1432 CB LYS A 93 4.385 0.605 -4.300 1.00 33.14 C ATOM 1433 CG LYS A 93 5.721 0.984 -4.919 1.00 72.52 C ATOM 1434 CD LYS A 93 6.445 -0.231 -5.469 1.00 0.13 C ATOM 1435 CE LYS A 93 7.719 0.165 -6.184 1.00 63.35 C ATOM 1436 NZ LYS A 93 8.471 -1.020 -6.662 1.00 61.03 N ATOM 0 H LYS A 93 2.426 -0.106 -2.968 1.00 31.25 H new ATOM 0 HA LYS A 93 5.019 -1.266 -3.460 1.00 75.33 H new ATOM 0 HB2 LYS A 93 3.753 0.162 -5.070 1.00 33.14 H new ATOM 0 HB3 LYS A 93 3.885 1.512 -3.960 1.00 33.14 H new ATOM 0 HG2 LYS A 93 5.560 1.706 -5.720 1.00 72.52 H new ATOM 0 HG3 LYS A 93 6.345 1.472 -4.170 1.00 72.52 H new ATOM 0 HD2 LYS A 93 6.680 -0.916 -4.655 1.00 0.13 H new ATOM 0 HD3 LYS A 93 5.791 -0.766 -6.157 1.00 0.13 H new ATOM 0 HE2 LYS A 93 7.477 0.808 -7.030 1.00 63.35 H new ATOM 0 HE3 LYS A 93 8.348 0.748 -5.511 1.00 63.35 H new ATOM 0 HZ1 LYS A 93 8.790 -0.858 -7.638 1.00 61.03 H new ATOM 0 HZ2 LYS A 93 9.296 -1.178 -6.049 1.00 61.03 H new ATOM 0 HZ3 LYS A 93 7.854 -1.857 -6.634 1.00 61.03 H new ATOM 1450 N LEU A 94 4.586 1.029 -1.155 1.00 62.03 N ATOM 1451 CA LEU A 94 5.198 1.690 -0.009 1.00 50.23 C ATOM 1452 C LEU A 94 5.811 0.683 0.946 1.00 73.45 C ATOM 1453 O LEU A 94 6.844 0.948 1.558 1.00 1.31 O ATOM 1454 CB LEU A 94 4.164 2.522 0.750 1.00 32.22 C ATOM 1455 CG LEU A 94 4.424 4.025 0.756 1.00 5.11 C ATOM 1456 CD1 LEU A 94 4.440 4.576 -0.661 1.00 14.12 C ATOM 1457 CD2 LEU A 94 3.382 4.745 1.595 1.00 21.43 C ATOM 0 H LEU A 94 3.589 1.215 -1.261 1.00 62.03 H new ATOM 0 HA LEU A 94 5.983 2.340 -0.394 1.00 50.23 H new ATOM 0 HB2 LEU A 94 3.182 2.340 0.313 1.00 32.22 H new ATOM 0 HB3 LEU A 94 4.124 2.171 1.781 1.00 32.22 H new ATOM 0 HG LEU A 94 5.404 4.198 1.201 1.00 5.11 H new ATOM 0 HD11 LEU A 94 4.627 5.649 -0.632 1.00 14.12 H new ATOM 0 HD12 LEU A 94 5.228 4.086 -1.233 1.00 14.12 H new ATOM 0 HD13 LEU A 94 3.477 4.388 -1.135 1.00 14.12 H new ATOM 0 HD21 LEU A 94 3.585 5.816 1.587 1.00 21.43 H new ATOM 0 HD22 LEU A 94 2.391 4.560 1.181 1.00 21.43 H new ATOM 0 HD23 LEU A 94 3.422 4.376 2.620 1.00 21.43 H new ATOM 1469 N ILE A 95 5.168 -0.472 1.058 1.00 52.31 N ATOM 1470 CA ILE A 95 5.564 -1.490 2.020 1.00 15.50 C ATOM 1471 C ILE A 95 7.024 -1.898 1.847 1.00 52.14 C ATOM 1472 O ILE A 95 7.772 -1.980 2.822 1.00 74.34 O ATOM 1473 CB ILE A 95 4.686 -2.754 1.898 1.00 51.33 C ATOM 1474 CG1 ILE A 95 3.202 -2.391 1.942 1.00 31.24 C ATOM 1475 CG2 ILE A 95 5.018 -3.732 3.011 1.00 32.34 C ATOM 1476 CD1 ILE A 95 2.781 -1.720 3.228 1.00 61.03 C ATOM 0 H ILE A 95 4.362 -0.728 0.488 1.00 52.31 H new ATOM 0 HA ILE A 95 5.430 -1.043 3.005 1.00 15.50 H new ATOM 0 HB ILE A 95 4.896 -3.225 0.938 1.00 51.33 H new ATOM 0 HG12 ILE A 95 2.973 -1.730 1.106 1.00 31.24 H new ATOM 0 HG13 ILE A 95 2.611 -3.296 1.804 1.00 31.24 H new ATOM 0 HG21 ILE A 95 4.392 -4.619 2.914 1.00 32.34 H new ATOM 0 HG22 ILE A 95 6.067 -4.019 2.942 1.00 32.34 H new ATOM 0 HG23 ILE A 95 4.833 -3.261 3.976 1.00 32.34 H new ATOM 0 HD11 ILE A 95 1.716 -1.492 3.187 1.00 61.03 H new ATOM 0 HD12 ILE A 95 2.977 -2.387 4.068 1.00 61.03 H new ATOM 0 HD13 ILE A 95 3.345 -0.797 3.358 1.00 61.03 H new ATOM 1488 N LYS A 96 7.430 -2.133 0.606 1.00 12.54 N ATOM 1489 CA LYS A 96 8.774 -2.615 0.324 1.00 62.11 C ATOM 1490 C LYS A 96 9.812 -1.597 0.794 1.00 44.31 C ATOM 1491 O LYS A 96 10.814 -1.959 1.412 1.00 41.13 O ATOM 1492 CB LYS A 96 8.929 -2.899 -1.179 1.00 21.44 C ATOM 1493 CG LYS A 96 10.009 -3.926 -1.522 1.00 73.45 C ATOM 1494 CD LYS A 96 11.418 -3.385 -1.309 1.00 4.41 C ATOM 1495 CE LYS A 96 12.479 -4.439 -1.588 1.00 74.22 C ATOM 1496 NZ LYS A 96 12.384 -5.590 -0.653 1.00 61.22 N ATOM 0 H LYS A 96 6.848 -1.997 -0.220 1.00 12.54 H new ATOM 0 HA LYS A 96 8.938 -3.545 0.869 1.00 62.11 H new ATOM 0 HB2 LYS A 96 7.974 -3.250 -1.570 1.00 21.44 H new ATOM 0 HB3 LYS A 96 9.158 -1.964 -1.691 1.00 21.44 H new ATOM 0 HG2 LYS A 96 9.868 -4.815 -0.908 1.00 73.45 H new ATOM 0 HG3 LYS A 96 9.895 -4.235 -2.561 1.00 73.45 H new ATOM 0 HD2 LYS A 96 11.579 -2.526 -1.961 1.00 4.41 H new ATOM 0 HD3 LYS A 96 11.519 -3.030 -0.283 1.00 4.41 H new ATOM 0 HE2 LYS A 96 12.374 -4.796 -2.613 1.00 74.22 H new ATOM 0 HE3 LYS A 96 13.468 -3.988 -1.507 1.00 74.22 H new ATOM 0 HZ1 LYS A 96 13.251 -6.161 -0.717 1.00 61.22 H new ATOM 0 HZ2 LYS A 96 12.271 -5.239 0.319 1.00 61.22 H new ATOM 0 HZ3 LYS A 96 11.563 -6.176 -0.907 1.00 61.22 H new ATOM 1510 N LEU A 97 9.556 -0.322 0.536 1.00 73.14 N ATOM 1511 CA LEU A 97 10.496 0.720 0.917 1.00 62.11 C ATOM 1512 C LEU A 97 10.362 1.036 2.406 1.00 52.13 C ATOM 1513 O LEU A 97 11.314 1.471 3.054 1.00 50.12 O ATOM 1514 CB LEU A 97 10.267 1.976 0.072 1.00 1.10 C ATOM 1515 CG LEU A 97 11.317 3.079 0.234 1.00 53.42 C ATOM 1516 CD1 LEU A 97 12.706 2.558 -0.103 1.00 10.11 C ATOM 1517 CD2 LEU A 97 10.971 4.270 -0.646 1.00 41.21 C ATOM 0 H LEU A 97 8.713 0.013 0.069 1.00 73.14 H new ATOM 0 HA LEU A 97 11.510 0.364 0.733 1.00 62.11 H new ATOM 0 HB2 LEU A 97 10.230 1.685 -0.978 1.00 1.10 H new ATOM 0 HB3 LEU A 97 9.290 2.389 0.323 1.00 1.10 H new ATOM 0 HG LEU A 97 11.317 3.400 1.276 1.00 53.42 H new ATOM 0 HD11 LEU A 97 13.435 3.359 0.019 1.00 10.11 H new ATOM 0 HD12 LEU A 97 12.957 1.734 0.565 1.00 10.11 H new ATOM 0 HD13 LEU A 97 12.723 2.207 -1.135 1.00 10.11 H new ATOM 0 HD21 LEU A 97 11.726 5.046 -0.521 1.00 41.21 H new ATOM 0 HD22 LEU A 97 10.943 3.956 -1.689 1.00 41.21 H new ATOM 0 HD23 LEU A 97 9.995 4.663 -0.360 1.00 41.21 H new ATOM 1529 N LYS A 98 9.175 0.801 2.948 1.00 54.02 N ATOM 1530 CA LYS A 98 8.921 1.024 4.364 1.00 1.21 C ATOM 1531 C LYS A 98 9.635 -0.028 5.207 1.00 61.11 C ATOM 1532 O LYS A 98 10.058 0.250 6.329 1.00 35.24 O ATOM 1533 CB LYS A 98 7.416 1.006 4.646 1.00 12.25 C ATOM 1534 CG LYS A 98 7.042 1.287 6.096 1.00 64.23 C ATOM 1535 CD LYS A 98 7.047 2.776 6.441 1.00 12.12 C ATOM 1536 CE LYS A 98 8.450 3.359 6.523 1.00 31.40 C ATOM 1537 NZ LYS A 98 8.442 4.743 7.068 1.00 62.42 N ATOM 0 H LYS A 98 8.370 0.455 2.426 1.00 54.02 H new ATOM 0 HA LYS A 98 9.312 2.005 4.635 1.00 1.21 H new ATOM 0 HB2 LYS A 98 6.931 1.745 4.009 1.00 12.25 H new ATOM 0 HB3 LYS A 98 7.018 0.031 4.363 1.00 12.25 H new ATOM 0 HG2 LYS A 98 6.051 0.878 6.295 1.00 64.23 H new ATOM 0 HG3 LYS A 98 7.740 0.766 6.752 1.00 64.23 H new ATOM 0 HD2 LYS A 98 6.476 3.320 5.689 1.00 12.12 H new ATOM 0 HD3 LYS A 98 6.541 2.925 7.395 1.00 12.12 H new ATOM 0 HE2 LYS A 98 9.071 2.723 7.154 1.00 31.40 H new ATOM 0 HE3 LYS A 98 8.901 3.362 5.531 1.00 31.40 H new ATOM 0 HZ1 LYS A 98 9.076 5.343 6.502 1.00 62.42 H new ATOM 0 HZ2 LYS A 98 7.476 5.126 7.028 1.00 62.42 H new ATOM 0 HZ3 LYS A 98 8.769 4.729 8.055 1.00 62.42 H new ATOM 1551 N LEU A 99 9.779 -1.227 4.654 1.00 65.32 N ATOM 1552 CA LEU A 99 10.538 -2.293 5.305 1.00 72.12 C ATOM 1553 C LEU A 99 12.018 -1.920 5.395 1.00 44.33 C ATOM 1554 O LEU A 99 12.765 -2.486 6.194 1.00 0.30 O ATOM 1555 CB LEU A 99 10.374 -3.609 4.540 1.00 13.40 C ATOM 1556 CG LEU A 99 9.011 -4.291 4.682 1.00 72.21 C ATOM 1557 CD1 LEU A 99 8.888 -5.442 3.695 1.00 62.11 C ATOM 1558 CD2 LEU A 99 8.819 -4.796 6.103 1.00 41.50 C ATOM 0 H LEU A 99 9.379 -1.488 3.753 1.00 65.32 H new ATOM 0 HA LEU A 99 10.149 -2.423 6.315 1.00 72.12 H new ATOM 0 HB2 LEU A 99 10.557 -3.419 3.482 1.00 13.40 H new ATOM 0 HB3 LEU A 99 11.144 -4.303 4.877 1.00 13.40 H new ATOM 0 HG LEU A 99 8.234 -3.559 4.462 1.00 72.21 H new ATOM 0 HD11 LEU A 99 7.913 -5.916 3.809 1.00 62.11 H new ATOM 0 HD12 LEU A 99 8.990 -5.062 2.678 1.00 62.11 H new ATOM 0 HD13 LEU A 99 9.672 -6.173 3.889 1.00 62.11 H new ATOM 0 HD21 LEU A 99 7.845 -5.279 6.189 1.00 41.50 H new ATOM 0 HD22 LEU A 99 9.603 -5.515 6.343 1.00 41.50 H new ATOM 0 HD23 LEU A 99 8.871 -3.957 6.797 1.00 41.50 H new ATOM 1570 N GLN A 100 12.430 -0.965 4.565 1.00 35.13 N ATOM 1571 CA GLN A 100 13.790 -0.440 4.600 1.00 54.15 C ATOM 1572 C GLN A 100 13.903 0.686 5.624 1.00 52.14 C ATOM 1573 O GLN A 100 15.002 1.058 6.036 1.00 50.43 O ATOM 1574 CB GLN A 100 14.204 0.061 3.214 1.00 62.41 C ATOM 1575 CG GLN A 100 14.416 -1.052 2.202 1.00 51.41 C ATOM 1576 CD GLN A 100 15.637 -1.896 2.516 1.00 4.51 C ATOM 1577 OE1 GLN A 100 16.743 -1.596 2.066 1.00 72.12 O ATOM 1578 NE2 GLN A 100 15.446 -2.954 3.287 1.00 21.21 N ATOM 0 H GLN A 100 11.835 -0.537 3.855 1.00 35.13 H new ATOM 0 HA GLN A 100 14.462 -1.246 4.895 1.00 54.15 H new ATOM 0 HB2 GLN A 100 13.438 0.740 2.839 1.00 62.41 H new ATOM 0 HB3 GLN A 100 15.125 0.637 3.305 1.00 62.41 H new ATOM 0 HG2 GLN A 100 13.533 -1.691 2.178 1.00 51.41 H new ATOM 0 HG3 GLN A 100 14.523 -0.619 1.207 1.00 51.41 H new ATOM 0 HE21 GLN A 100 14.513 -3.167 3.639 1.00 21.21 H new ATOM 0 HE22 GLN A 100 16.232 -3.557 3.530 1.00 21.21 H new ATOM 1587 N GLY A 101 12.756 1.226 6.026 1.00 12.33 N ATOM 1588 CA GLY A 101 12.729 2.253 7.052 1.00 73.14 C ATOM 1589 C GLY A 101 13.013 3.642 6.514 1.00 72.44 C ATOM 1590 O GLY A 101 13.787 4.389 7.103 1.00 0.34 O ATOM 0 H GLY A 101 11.840 0.969 5.657 1.00 12.33 H new ATOM 0 HA2 GLY A 101 11.752 2.250 7.534 1.00 73.14 H new ATOM 0 HA3 GLY A 101 13.464 2.010 7.819 1.00 73.14 H new ATOM 1594 N TYR A 102 12.391 3.997 5.396 1.00 1.24 N ATOM 1595 CA TYR A 102 12.561 5.332 4.839 1.00 4.32 C ATOM 1596 C TYR A 102 11.649 6.325 5.550 1.00 54.45 C ATOM 1597 O TYR A 102 10.756 5.938 6.310 1.00 51.14 O ATOM 1598 CB TYR A 102 12.259 5.356 3.338 1.00 34.35 C ATOM 1599 CG TYR A 102 10.781 5.406 3.007 1.00 61.03 C ATOM 1600 CD1 TYR A 102 9.943 4.335 3.286 1.00 30.02 C ATOM 1601 CD2 TYR A 102 10.222 6.542 2.432 1.00 23.40 C ATOM 1602 CE1 TYR A 102 8.594 4.390 2.997 1.00 64.54 C ATOM 1603 CE2 TYR A 102 8.873 6.604 2.146 1.00 33.21 C ATOM 1604 CZ TYR A 102 8.065 5.528 2.429 1.00 50.11 C ATOM 1605 OH TYR A 102 6.721 5.590 2.151 1.00 42.51 O ATOM 0 H TYR A 102 11.771 3.387 4.863 1.00 1.24 H new ATOM 0 HA TYR A 102 13.602 5.617 4.989 1.00 4.32 H new ATOM 0 HB2 TYR A 102 12.750 6.221 2.893 1.00 34.35 H new ATOM 0 HB3 TYR A 102 12.694 4.470 2.876 1.00 34.35 H new ATOM 0 HD1 TYR A 102 10.353 3.443 3.737 1.00 30.02 H new ATOM 0 HD2 TYR A 102 10.853 7.389 2.206 1.00 23.40 H new ATOM 0 HE1 TYR A 102 7.957 3.545 3.215 1.00 64.54 H new ATOM 0 HE2 TYR A 102 8.454 7.494 1.702 1.00 33.21 H new ATOM 0 HH TYR A 102 6.509 6.461 1.754 1.00 42.51 H new ATOM 1615 N GLN A 103 11.860 7.595 5.273 1.00 2.05 N ATOM 1616 CA GLN A 103 11.053 8.657 5.856 1.00 3.33 C ATOM 1617 C GLN A 103 10.554 9.603 4.772 1.00 42.45 C ATOM 1618 O GLN A 103 11.315 10.010 3.891 1.00 44.14 O ATOM 1619 CB GLN A 103 11.859 9.430 6.898 1.00 24.22 C ATOM 1620 CG GLN A 103 12.335 8.570 8.055 1.00 31.51 C ATOM 1621 CD GLN A 103 13.052 9.365 9.124 1.00 0.13 C ATOM 1622 OE1 GLN A 103 12.760 10.544 9.339 1.00 54.14 O ATOM 1623 NE2 GLN A 103 13.996 8.728 9.797 1.00 61.12 N ATOM 0 H GLN A 103 12.591 7.923 4.641 1.00 2.05 H new ATOM 0 HA GLN A 103 10.192 8.203 6.347 1.00 3.33 H new ATOM 0 HB2 GLN A 103 12.723 9.884 6.414 1.00 24.22 H new ATOM 0 HB3 GLN A 103 11.248 10.244 7.288 1.00 24.22 H new ATOM 0 HG2 GLN A 103 11.479 8.062 8.500 1.00 31.51 H new ATOM 0 HG3 GLN A 103 13.003 7.797 7.675 1.00 31.51 H new ATOM 0 HE21 GLN A 103 14.203 7.752 9.585 1.00 61.12 H new ATOM 0 HE22 GLN A 103 14.516 9.213 10.528 1.00 61.12 H new ATOM 1632 N LEU A 104 9.274 9.938 4.836 1.00 11.11 N ATOM 1633 CA LEU A 104 8.654 10.800 3.840 1.00 33.21 C ATOM 1634 C LEU A 104 7.382 11.416 4.416 1.00 75.34 C ATOM 1635 O LEU A 104 6.689 10.771 5.204 1.00 62.34 O ATOM 1636 CB LEU A 104 8.307 9.980 2.590 1.00 3.43 C ATOM 1637 CG LEU A 104 7.914 10.789 1.351 1.00 54.50 C ATOM 1638 CD1 LEU A 104 9.133 11.477 0.759 1.00 61.03 C ATOM 1639 CD2 LEU A 104 7.250 9.894 0.317 1.00 34.45 C ATOM 0 H LEU A 104 8.641 9.624 5.572 1.00 11.11 H new ATOM 0 HA LEU A 104 9.350 11.594 3.569 1.00 33.21 H new ATOM 0 HB2 LEU A 104 9.165 9.357 2.337 1.00 3.43 H new ATOM 0 HB3 LEU A 104 7.486 9.307 2.837 1.00 3.43 H new ATOM 0 HG LEU A 104 7.198 11.554 1.651 1.00 54.50 H new ATOM 0 HD11 LEU A 104 8.837 12.048 -0.121 1.00 61.03 H new ATOM 0 HD12 LEU A 104 9.566 12.150 1.499 1.00 61.03 H new ATOM 0 HD13 LEU A 104 9.871 10.727 0.474 1.00 61.03 H new ATOM 0 HD21 LEU A 104 6.978 10.487 -0.556 1.00 34.45 H new ATOM 0 HD22 LEU A 104 7.942 9.106 0.019 1.00 34.45 H new ATOM 0 HD23 LEU A 104 6.353 9.446 0.745 1.00 34.45 H new ATOM 1651 N PRO A 105 7.074 12.675 4.063 1.00 15.44 N ATOM 1652 CA PRO A 105 5.814 13.318 4.441 1.00 31.01 C ATOM 1653 C PRO A 105 4.632 12.741 3.671 1.00 2.11 C ATOM 1654 O PRO A 105 4.808 11.883 2.805 1.00 30.22 O ATOM 1655 CB PRO A 105 6.024 14.799 4.079 1.00 21.23 C ATOM 1656 CG PRO A 105 7.480 14.936 3.776 1.00 13.23 C ATOM 1657 CD PRO A 105 7.935 13.588 3.303 1.00 44.23 C ATOM 0 HA PRO A 105 5.580 13.165 5.495 1.00 31.01 H new ATOM 0 HB2 PRO A 105 5.416 15.082 3.220 1.00 21.23 H new ATOM 0 HB3 PRO A 105 5.732 15.449 4.904 1.00 21.23 H new ATOM 0 HG2 PRO A 105 7.649 15.695 3.012 1.00 13.23 H new ATOM 0 HG3 PRO A 105 8.035 15.246 4.662 1.00 13.23 H new ATOM 0 HD2 PRO A 105 7.802 13.470 2.228 1.00 44.23 H new ATOM 0 HD3 PRO A 105 8.991 13.419 3.514 1.00 44.23 H new ATOM 1665 N SER A 106 3.438 13.241 3.964 1.00 33.00 N ATOM 1666 CA SER A 106 2.212 12.701 3.392 1.00 2.51 C ATOM 1667 C SER A 106 2.153 12.939 1.890 1.00 33.42 C ATOM 1668 O SER A 106 1.353 12.322 1.180 1.00 11.14 O ATOM 1669 CB SER A 106 0.996 13.336 4.070 1.00 45.54 C ATOM 1670 OG SER A 106 1.030 13.133 5.474 1.00 32.32 O ATOM 0 H SER A 106 3.293 14.026 4.599 1.00 33.00 H new ATOM 0 HA SER A 106 2.203 11.625 3.565 1.00 2.51 H new ATOM 0 HB2 SER A 106 0.972 14.404 3.854 1.00 45.54 H new ATOM 0 HB3 SER A 106 0.082 12.907 3.659 1.00 45.54 H new ATOM 0 HG SER A 106 0.243 13.550 5.884 1.00 32.32 H new ATOM 1676 N ALA A 107 3.003 13.829 1.406 1.00 22.40 N ATOM 1677 CA ALA A 107 3.043 14.125 -0.008 1.00 51.24 C ATOM 1678 C ALA A 107 3.927 13.130 -0.745 1.00 52.22 C ATOM 1679 O ALA A 107 5.127 13.347 -0.915 1.00 73.35 O ATOM 1680 CB ALA A 107 3.511 15.551 -0.259 1.00 34.22 C ATOM 0 H ALA A 107 3.670 14.354 1.971 1.00 22.40 H new ATOM 0 HA ALA A 107 2.028 14.033 -0.396 1.00 51.24 H new ATOM 0 HB1 ALA A 107 3.531 15.744 -1.332 1.00 34.22 H new ATOM 0 HB2 ALA A 107 2.826 16.249 0.223 1.00 34.22 H new ATOM 0 HB3 ALA A 107 4.512 15.683 0.152 1.00 34.22 H new ATOM 1686 N LEU A 108 3.333 12.017 -1.138 1.00 20.41 N ATOM 1687 CA LEU A 108 4.024 11.028 -1.944 1.00 34.34 C ATOM 1688 C LEU A 108 4.063 11.480 -3.406 1.00 12.25 C ATOM 1689 O LEU A 108 3.177 12.208 -3.857 1.00 60.31 O ATOM 1690 CB LEU A 108 3.359 9.651 -1.782 1.00 15.13 C ATOM 1691 CG LEU A 108 1.839 9.658 -1.562 1.00 23.44 C ATOM 1692 CD1 LEU A 108 1.095 10.023 -2.841 1.00 51.12 C ATOM 1693 CD2 LEU A 108 1.383 8.306 -1.038 1.00 71.52 C ATOM 0 H LEU A 108 2.369 11.775 -0.910 1.00 20.41 H new ATOM 0 HA LEU A 108 5.054 10.933 -1.601 1.00 34.34 H new ATOM 0 HB2 LEU A 108 3.574 9.059 -2.671 1.00 15.13 H new ATOM 0 HB3 LEU A 108 3.826 9.141 -0.939 1.00 15.13 H new ATOM 0 HG LEU A 108 1.604 10.420 -0.819 1.00 23.44 H new ATOM 0 HD11 LEU A 108 0.022 10.019 -2.651 1.00 51.12 H new ATOM 0 HD12 LEU A 108 1.402 11.016 -3.170 1.00 51.12 H new ATOM 0 HD13 LEU A 108 1.329 9.295 -3.618 1.00 51.12 H new ATOM 0 HD21 LEU A 108 0.304 8.320 -0.885 1.00 71.52 H new ATOM 0 HD22 LEU A 108 1.637 7.531 -1.761 1.00 71.52 H new ATOM 0 HD23 LEU A 108 1.881 8.096 -0.091 1.00 71.52 H new ATOM 1705 N PRO A 109 5.101 11.076 -4.158 1.00 50.00 N ATOM 1706 CA PRO A 109 5.326 11.571 -5.521 1.00 14.54 C ATOM 1707 C PRO A 109 4.194 11.211 -6.484 1.00 11.22 C ATOM 1708 O PRO A 109 3.524 10.186 -6.328 1.00 24.24 O ATOM 1709 CB PRO A 109 6.625 10.874 -5.952 1.00 54.34 C ATOM 1710 CG PRO A 109 7.264 10.418 -4.687 1.00 54.41 C ATOM 1711 CD PRO A 109 6.136 10.117 -3.744 1.00 14.24 C ATOM 0 HA PRO A 109 5.377 12.660 -5.541 1.00 14.54 H new ATOM 0 HB2 PRO A 109 6.419 10.033 -6.614 1.00 54.34 H new ATOM 0 HB3 PRO A 109 7.276 11.557 -6.497 1.00 54.34 H new ATOM 0 HG2 PRO A 109 7.879 9.534 -4.856 1.00 54.41 H new ATOM 0 HG3 PRO A 109 7.919 11.188 -4.280 1.00 54.41 H new ATOM 0 HD2 PRO A 109 5.794 9.086 -3.839 1.00 14.24 H new ATOM 0 HD3 PRO A 109 6.429 10.261 -2.704 1.00 14.24 H new ATOM 1719 N PRO A 110 3.997 12.043 -7.524 1.00 20.10 N ATOM 1720 CA PRO A 110 2.960 11.824 -8.535 1.00 11.15 C ATOM 1721 C PRO A 110 3.320 10.698 -9.493 1.00 63.13 C ATOM 1722 O PRO A 110 2.522 10.307 -10.337 1.00 21.14 O ATOM 1723 CB PRO A 110 2.895 13.160 -9.273 1.00 24.12 C ATOM 1724 CG PRO A 110 4.254 13.741 -9.120 1.00 75.20 C ATOM 1725 CD PRO A 110 4.755 13.285 -7.777 1.00 5.13 C ATOM 0 HA PRO A 110 2.011 11.525 -8.090 1.00 11.15 H new ATOM 0 HB2 PRO A 110 2.640 13.020 -10.323 1.00 24.12 H new ATOM 0 HB3 PRO A 110 2.135 13.813 -8.844 1.00 24.12 H new ATOM 0 HG2 PRO A 110 4.915 13.402 -9.918 1.00 75.20 H new ATOM 0 HG3 PRO A 110 4.221 14.829 -9.174 1.00 75.20 H new ATOM 0 HD2 PRO A 110 5.830 13.102 -7.791 1.00 5.13 H new ATOM 0 HD3 PRO A 110 4.569 14.032 -7.005 1.00 5.13 H new ATOM 1733 N VAL A 111 4.531 10.181 -9.351 1.00 63.11 N ATOM 1734 CA VAL A 111 4.986 9.061 -10.162 1.00 71.10 C ATOM 1735 C VAL A 111 4.259 7.782 -9.751 1.00 21.21 C ATOM 1736 O VAL A 111 4.063 6.871 -10.555 1.00 1.11 O ATOM 1737 CB VAL A 111 6.512 8.855 -10.022 1.00 21.32 C ATOM 1738 CG1 VAL A 111 7.004 7.768 -10.967 1.00 63.25 C ATOM 1739 CG2 VAL A 111 7.255 10.159 -10.272 1.00 32.21 C ATOM 0 H VAL A 111 5.219 10.521 -8.679 1.00 63.11 H new ATOM 0 HA VAL A 111 4.761 9.290 -11.204 1.00 71.10 H new ATOM 0 HB VAL A 111 6.716 8.533 -9.001 1.00 21.32 H new ATOM 0 HG11 VAL A 111 8.080 7.643 -10.849 1.00 63.25 H new ATOM 0 HG12 VAL A 111 6.502 6.829 -10.734 1.00 63.25 H new ATOM 0 HG13 VAL A 111 6.783 8.053 -11.996 1.00 63.25 H new ATOM 0 HG21 VAL A 111 8.327 9.992 -10.169 1.00 32.21 H new ATOM 0 HG22 VAL A 111 7.038 10.514 -11.280 1.00 32.21 H new ATOM 0 HG23 VAL A 111 6.932 10.906 -9.547 1.00 32.21 H new ATOM 1749 N MET A 112 3.834 7.732 -8.493 1.00 33.43 N ATOM 1750 CA MET A 112 3.161 6.554 -7.967 1.00 54.23 C ATOM 1751 C MET A 112 1.675 6.592 -8.297 1.00 60.30 C ATOM 1752 O MET A 112 1.117 5.614 -8.787 1.00 72.34 O ATOM 1753 CB MET A 112 3.352 6.447 -6.457 1.00 73.24 C ATOM 1754 CG MET A 112 4.799 6.527 -6.011 1.00 50.04 C ATOM 1755 SD MET A 112 5.024 5.962 -4.319 1.00 0.22 S ATOM 1756 CE MET A 112 4.637 4.223 -4.512 1.00 13.25 C ATOM 0 H MET A 112 3.944 8.492 -7.822 1.00 33.43 H new ATOM 0 HA MET A 112 3.606 5.678 -8.439 1.00 54.23 H new ATOM 0 HB2 MET A 112 2.789 7.244 -5.972 1.00 73.24 H new ATOM 0 HB3 MET A 112 2.928 5.503 -6.114 1.00 73.24 H new ATOM 0 HG2 MET A 112 5.416 5.925 -6.678 1.00 50.04 H new ATOM 0 HG3 MET A 112 5.147 7.556 -6.097 1.00 50.04 H new ATOM 0 HE1 MET A 112 3.871 3.938 -3.790 1.00 13.25 H new ATOM 0 HE2 MET A 112 4.269 4.042 -5.522 1.00 13.25 H new ATOM 0 HE3 MET A 112 5.535 3.629 -4.341 1.00 13.25 H new ATOM 1766 N LYS A 113 1.037 7.727 -8.023 1.00 63.10 N ATOM 1767 CA LYS A 113 -0.377 7.905 -8.350 1.00 33.13 C ATOM 1768 C LYS A 113 -0.561 7.990 -9.860 1.00 73.31 C ATOM 1769 O LYS A 113 -1.662 7.790 -10.373 1.00 14.43 O ATOM 1770 CB LYS A 113 -0.940 9.174 -7.694 1.00 32.34 C ATOM 1771 CG LYS A 113 -0.176 10.440 -8.054 1.00 65.33 C ATOM 1772 CD LYS A 113 -1.103 11.601 -8.392 1.00 35.20 C ATOM 1773 CE LYS A 113 -2.009 11.959 -7.228 1.00 35.32 C ATOM 1774 NZ LYS A 113 -2.832 13.161 -7.516 1.00 25.22 N ATOM 0 H LYS A 113 1.473 8.534 -7.578 1.00 63.10 H new ATOM 0 HA LYS A 113 -0.921 7.043 -7.964 1.00 33.13 H new ATOM 0 HB2 LYS A 113 -1.982 9.293 -7.989 1.00 32.34 H new ATOM 0 HB3 LYS A 113 -0.928 9.049 -6.611 1.00 32.34 H new ATOM 0 HG2 LYS A 113 0.467 10.723 -7.220 1.00 65.33 H new ATOM 0 HG3 LYS A 113 0.475 10.239 -8.905 1.00 65.33 H new ATOM 0 HD2 LYS A 113 -0.508 12.471 -8.670 1.00 35.20 H new ATOM 0 HD3 LYS A 113 -1.711 11.340 -9.258 1.00 35.20 H new ATOM 0 HE2 LYS A 113 -2.663 11.116 -7.005 1.00 35.32 H new ATOM 0 HE3 LYS A 113 -1.404 12.138 -6.339 1.00 35.32 H new ATOM 0 HZ1 LYS A 113 -3.437 13.372 -6.697 1.00 25.22 H new ATOM 0 HZ2 LYS A 113 -2.208 13.972 -7.704 1.00 25.22 H new ATOM 0 HZ3 LYS A 113 -3.428 12.982 -8.349 1.00 25.22 H new ATOM 1788 N GLN A 114 0.540 8.293 -10.551 1.00 61.04 N ATOM 1789 CA GLN A 114 0.545 8.470 -11.994 1.00 70.53 C ATOM 1790 C GLN A 114 -0.371 9.624 -12.380 1.00 74.45 C ATOM 1791 O GLN A 114 -0.736 10.449 -11.539 1.00 64.41 O ATOM 1792 CB GLN A 114 0.119 7.181 -12.706 1.00 72.31 C ATOM 1793 CG GLN A 114 0.935 5.965 -12.306 1.00 0.45 C ATOM 1794 CD GLN A 114 0.620 4.750 -13.153 1.00 21.31 C ATOM 1795 OE1 GLN A 114 -0.494 4.589 -13.652 1.00 0.44 O ATOM 1796 NE2 GLN A 114 1.606 3.886 -13.322 1.00 20.55 N ATOM 0 H GLN A 114 1.454 8.422 -10.118 1.00 61.04 H new ATOM 0 HA GLN A 114 1.561 8.706 -12.310 1.00 70.53 H new ATOM 0 HB2 GLN A 114 -0.932 6.989 -12.492 1.00 72.31 H new ATOM 0 HB3 GLN A 114 0.204 7.326 -13.783 1.00 72.31 H new ATOM 0 HG2 GLN A 114 1.996 6.199 -12.393 1.00 0.45 H new ATOM 0 HG3 GLN A 114 0.745 5.733 -11.258 1.00 0.45 H new ATOM 0 HE21 GLN A 114 2.514 4.058 -12.891 1.00 20.55 H new ATOM 0 HE22 GLN A 114 1.459 3.048 -13.884 1.00 20.55 H new