USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot 30:sc= -3.56! USER MOD Set 1.2: A 82 TYR OH : rot -94:sc= 1.28 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.419 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.907 K(o=-1.3,f=0.84) USER MOD Single : A 11 ASN : amide:sc= -1.77! C(o=-1.8!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.02 X(o=-1,f=-0.74) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.22) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 50:sc= -1.76 USER MOD Single : A 70 ASN : amide:sc= -5.66! C(o=-5.7!,f=-10!) USER MOD Single : A 73 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.54) USER MOD Single : A 75 THR OG1 : rot 47:sc= 0.0413 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.466 USER MOD Single : A 80 SER OG : rot -100:sc= 1.33 USER MOD Single : A 81 ASN : amide:sc= -0.671 K(o=-0.67,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.873 -3.627 12.390 1.00 71.42 N ATOM 74 CA ARG A 5 -8.148 -2.745 11.484 1.00 44.23 C ATOM 75 C ARG A 5 -6.961 -3.468 10.852 1.00 33.44 C ATOM 76 O ARG A 5 -6.493 -4.492 11.349 1.00 42.34 O ATOM 77 CB ARG A 5 -7.661 -1.502 12.232 1.00 15.32 C ATOM 78 CG ARG A 5 -8.530 -0.276 12.004 1.00 10.31 C ATOM 79 CD ARG A 5 -7.796 1.004 12.377 1.00 71.22 C ATOM 80 NE ARG A 5 -8.260 2.148 11.597 1.00 22.23 N ATOM 81 CZ ARG A 5 -7.605 3.301 11.524 1.00 32.34 C ATOM 82 NH1 ARG A 5 -6.464 3.462 12.180 1.00 4.14 N ATOM 83 NH2 ARG A 5 -8.090 4.296 10.793 1.00 14.32 N ATOM 0 HA ARG A 5 -8.830 -2.441 10.690 1.00 44.23 H new ATOM 0 HB2 ARG A 5 -7.628 -1.720 13.299 1.00 15.32 H new ATOM 0 HB3 ARG A 5 -6.641 -1.277 11.921 1.00 15.32 H new ATOM 0 HG2 ARG A 5 -8.832 -0.232 10.958 1.00 10.31 H new ATOM 0 HG3 ARG A 5 -9.442 -0.360 12.596 1.00 10.31 H new ATOM 0 HD2 ARG A 5 -7.938 1.207 13.438 1.00 71.22 H new ATOM 0 HD3 ARG A 5 -6.726 0.868 12.219 1.00 71.22 H new ATOM 0 HE ARG A 5 -9.135 2.057 11.080 1.00 22.23 H new ATOM 0 HH11 ARG A 5 -6.087 2.699 12.743 1.00 4.14 H new ATOM 0 HH12 ARG A 5 -5.963 4.349 12.122 1.00 4.14 H new ATOM 0 HH21 ARG A 5 -8.967 4.176 10.286 1.00 14.32 H new ATOM 0 HH22 ARG A 5 -7.586 5.181 10.738 1.00 14.32 H new ATOM 97 N PRO A 6 -6.466 -2.924 9.731 1.00 70.41 N ATOM 98 CA PRO A 6 -5.329 -3.503 9.008 1.00 12.12 C ATOM 99 C PRO A 6 -4.019 -3.357 9.774 1.00 13.32 C ATOM 100 O PRO A 6 -3.926 -2.621 10.758 1.00 30.42 O ATOM 101 CB PRO A 6 -5.284 -2.688 7.712 1.00 2.31 C ATOM 102 CG PRO A 6 -5.922 -1.388 8.058 1.00 41.21 C ATOM 103 CD PRO A 6 -6.977 -1.705 9.084 1.00 43.41 C ATOM 0 HA PRO A 6 -5.448 -4.575 8.851 1.00 12.12 H new ATOM 0 HB2 PRO A 6 -4.259 -2.547 7.369 1.00 2.31 H new ATOM 0 HB3 PRO A 6 -5.822 -3.192 6.909 1.00 2.31 H new ATOM 0 HG2 PRO A 6 -5.188 -0.687 8.456 1.00 41.21 H new ATOM 0 HG3 PRO A 6 -6.362 -0.922 7.176 1.00 41.21 H new ATOM 0 HD2 PRO A 6 -7.100 -0.892 9.799 1.00 43.41 H new ATOM 0 HD3 PRO A 6 -7.950 -1.873 8.622 1.00 43.41 H new ATOM 111 N PRO A 7 -2.981 -4.072 9.317 1.00 14.11 N ATOM 112 CA PRO A 7 -1.657 -4.037 9.946 1.00 40.44 C ATOM 113 C PRO A 7 -0.953 -2.700 9.739 1.00 70.02 C ATOM 114 O PRO A 7 -1.374 -1.865 8.940 1.00 41.24 O ATOM 115 CB PRO A 7 -0.896 -5.158 9.231 1.00 52.12 C ATOM 116 CG PRO A 7 -1.571 -5.291 7.908 1.00 3.03 C ATOM 117 CD PRO A 7 -3.021 -4.969 8.149 1.00 2.13 C ATOM 0 HA PRO A 7 -1.715 -4.164 11.027 1.00 40.44 H new ATOM 0 HB2 PRO A 7 0.159 -4.908 9.114 1.00 52.12 H new ATOM 0 HB3 PRO A 7 -0.942 -6.090 9.795 1.00 52.12 H new ATOM 0 HG2 PRO A 7 -1.136 -4.609 7.177 1.00 3.03 H new ATOM 0 HG3 PRO A 7 -1.456 -6.299 7.511 1.00 3.03 H new ATOM 0 HD2 PRO A 7 -3.474 -4.483 7.285 1.00 2.13 H new ATOM 0 HD3 PRO A 7 -3.604 -5.867 8.352 1.00 2.13 H new ATOM 125 N PRO A 8 0.148 -2.491 10.478 1.00 44.25 N ATOM 126 CA PRO A 8 0.935 -1.258 10.394 1.00 53.22 C ATOM 127 C PRO A 8 1.681 -1.135 9.070 1.00 60.45 C ATOM 128 O PRO A 8 1.581 -2.008 8.206 1.00 61.35 O ATOM 129 CB PRO A 8 1.923 -1.387 11.555 1.00 70.13 C ATOM 130 CG PRO A 8 2.052 -2.854 11.780 1.00 72.55 C ATOM 131 CD PRO A 8 0.708 -3.443 11.452 1.00 52.33 C ATOM 0 HA PRO A 8 0.306 -0.369 10.449 1.00 53.22 H new ATOM 0 HB2 PRO A 8 2.885 -0.938 11.308 1.00 70.13 H new ATOM 0 HB3 PRO A 8 1.554 -0.880 12.447 1.00 70.13 H new ATOM 0 HG2 PRO A 8 2.830 -3.279 11.146 1.00 72.55 H new ATOM 0 HG3 PRO A 8 2.330 -3.068 12.812 1.00 72.55 H new ATOM 0 HD2 PRO A 8 0.800 -4.443 11.029 1.00 52.33 H new ATOM 0 HD3 PRO A 8 0.079 -3.528 12.338 1.00 52.33 H new ATOM 139 N VAL A 9 2.431 -0.048 8.916 1.00 54.25 N ATOM 140 CA VAL A 9 3.196 0.187 7.697 1.00 34.32 C ATOM 141 C VAL A 9 4.128 -0.982 7.400 1.00 70.00 C ATOM 142 O VAL A 9 4.687 -1.607 8.300 1.00 30.40 O ATOM 143 CB VAL A 9 4.026 1.480 7.796 1.00 75.10 C ATOM 144 CG1 VAL A 9 3.139 2.701 7.602 1.00 43.14 C ATOM 145 CG2 VAL A 9 4.751 1.545 9.132 1.00 10.41 C ATOM 0 H VAL A 9 2.525 0.684 9.620 1.00 54.25 H new ATOM 0 HA VAL A 9 2.476 0.289 6.885 1.00 34.32 H new ATOM 0 HB VAL A 9 4.773 1.474 7.002 1.00 75.10 H new ATOM 0 HG11 VAL A 9 3.743 3.605 7.675 1.00 43.14 H new ATOM 0 HG12 VAL A 9 2.669 2.657 6.619 1.00 43.14 H new ATOM 0 HG13 VAL A 9 2.368 2.717 8.372 1.00 43.14 H new ATOM 0 HG21 VAL A 9 5.333 2.465 9.186 1.00 10.41 H new ATOM 0 HG22 VAL A 9 4.022 1.529 9.943 1.00 10.41 H new ATOM 0 HG23 VAL A 9 5.418 0.688 9.226 1.00 10.41 H new ATOM 155 N PRO A 10 4.302 -1.286 6.104 1.00 23.14 N ATOM 156 CA PRO A 10 5.168 -2.382 5.658 1.00 0.13 C ATOM 157 C PRO A 10 6.646 -2.082 5.886 1.00 30.02 C ATOM 158 O PRO A 10 7.388 -1.817 4.942 1.00 31.04 O ATOM 159 CB PRO A 10 4.869 -2.481 4.161 1.00 51.42 C ATOM 160 CG PRO A 10 4.395 -1.122 3.776 1.00 31.11 C ATOM 161 CD PRO A 10 3.666 -0.583 4.978 1.00 44.02 C ATOM 0 HA PRO A 10 4.976 -3.303 6.208 1.00 0.13 H new ATOM 0 HB2 PRO A 10 5.758 -2.764 3.598 1.00 51.42 H new ATOM 0 HB3 PRO A 10 4.110 -3.237 3.958 1.00 51.42 H new ATOM 0 HG2 PRO A 10 5.232 -0.478 3.506 1.00 31.11 H new ATOM 0 HG3 PRO A 10 3.737 -1.169 2.909 1.00 31.11 H new ATOM 0 HD2 PRO A 10 3.777 0.498 5.064 1.00 44.02 H new ATOM 0 HD3 PRO A 10 2.597 -0.790 4.927 1.00 44.02 H new ATOM 169 N ASN A 11 7.065 -2.126 7.147 1.00 65.10 N ATOM 170 CA ASN A 11 8.455 -1.861 7.501 1.00 13.41 C ATOM 171 C ASN A 11 9.030 -0.741 6.637 1.00 1.21 C ATOM 172 O ASN A 11 9.687 -0.980 5.625 1.00 24.11 O ATOM 173 CB ASN A 11 9.296 -3.128 7.337 1.00 3.33 C ATOM 174 CG ASN A 11 8.905 -3.928 6.109 1.00 3.05 C ATOM 175 OD1 ASN A 11 8.033 -4.794 6.171 1.00 34.12 O ATOM 176 ND2 ASN A 11 9.552 -3.640 4.985 1.00 23.33 N ATOM 0 H ASN A 11 6.462 -2.343 7.940 1.00 65.10 H new ATOM 0 HA ASN A 11 8.485 -1.546 8.544 1.00 13.41 H new ATOM 0 HB2 ASN A 11 10.349 -2.855 7.269 1.00 3.33 H new ATOM 0 HB3 ASN A 11 9.185 -3.752 8.224 1.00 3.33 H new ATOM 0 HD21 ASN A 11 9.333 -4.145 4.127 1.00 23.33 H new ATOM 0 HD22 ASN A 11 10.268 -2.914 4.981 1.00 23.33 H new ATOM 183 N PRO A 12 8.778 0.511 7.048 1.00 41.32 N ATOM 184 CA PRO A 12 9.263 1.693 6.330 1.00 55.04 C ATOM 185 C PRO A 12 10.774 1.857 6.436 1.00 52.04 C ATOM 186 O PRO A 12 11.351 1.695 7.511 1.00 42.25 O ATOM 187 CB PRO A 12 8.547 2.852 7.027 1.00 61.44 C ATOM 188 CG PRO A 12 8.253 2.344 8.397 1.00 22.31 C ATOM 189 CD PRO A 12 8.001 0.869 8.246 1.00 24.24 C ATOM 0 HA PRO A 12 9.060 1.631 5.261 1.00 55.04 H new ATOM 0 HB2 PRO A 12 9.175 3.743 7.061 1.00 61.44 H new ATOM 0 HB3 PRO A 12 7.632 3.126 6.501 1.00 61.44 H new ATOM 0 HG2 PRO A 12 9.090 2.530 9.070 1.00 22.31 H new ATOM 0 HG3 PRO A 12 7.384 2.847 8.822 1.00 22.31 H new ATOM 0 HD2 PRO A 12 8.334 0.313 9.122 1.00 24.24 H new ATOM 0 HD3 PRO A 12 6.940 0.654 8.116 1.00 24.24 H new ATOM 197 N ASP A 13 11.411 2.180 5.316 1.00 13.32 N ATOM 198 CA ASP A 13 12.857 2.370 5.284 1.00 71.31 C ATOM 199 C ASP A 13 13.222 3.646 4.533 1.00 20.04 C ATOM 200 O ASP A 13 13.960 3.610 3.548 1.00 62.55 O ATOM 201 CB ASP A 13 13.535 1.165 4.629 1.00 3.44 C ATOM 202 CG ASP A 13 12.767 0.651 3.427 1.00 13.32 C ATOM 203 OD1 ASP A 13 12.360 1.478 2.585 1.00 11.51 O ATOM 204 OD2 ASP A 13 12.574 -0.578 3.328 1.00 61.22 O ATOM 0 H ASP A 13 10.948 2.316 4.417 1.00 13.32 H new ATOM 0 HA ASP A 13 13.210 2.463 6.311 1.00 71.31 H new ATOM 0 HB2 ASP A 13 14.543 1.442 4.321 1.00 3.44 H new ATOM 0 HB3 ASP A 13 13.634 0.365 5.362 1.00 3.44 H new ATOM 210 N TYR A 14 12.699 4.773 5.005 1.00 24.22 N ATOM 211 CA TYR A 14 12.969 6.061 4.376 1.00 35.22 C ATOM 212 C TYR A 14 13.882 6.914 5.250 1.00 33.11 C ATOM 213 O TYR A 14 14.502 7.864 4.776 1.00 44.30 O ATOM 214 CB TYR A 14 11.659 6.805 4.110 1.00 73.32 C ATOM 215 CG TYR A 14 10.711 6.803 5.287 1.00 64.40 C ATOM 216 CD1 TYR A 14 11.031 7.470 6.464 1.00 75.43 C ATOM 217 CD2 TYR A 14 9.494 6.134 5.224 1.00 12.12 C ATOM 218 CE1 TYR A 14 10.168 7.470 7.543 1.00 70.54 C ATOM 219 CE2 TYR A 14 8.625 6.129 6.299 1.00 13.40 C ATOM 220 CZ TYR A 14 8.967 6.798 7.455 1.00 2.24 C ATOM 221 OH TYR A 14 8.104 6.797 8.527 1.00 14.44 O ATOM 0 H TYR A 14 12.087 4.821 5.819 1.00 24.22 H new ATOM 0 HA TYR A 14 13.474 5.875 3.428 1.00 35.22 H new ATOM 0 HB2 TYR A 14 11.885 7.836 3.839 1.00 73.32 H new ATOM 0 HB3 TYR A 14 11.161 6.352 3.253 1.00 73.32 H new ATOM 0 HD1 TYR A 14 11.971 7.997 6.536 1.00 75.43 H new ATOM 0 HD2 TYR A 14 9.223 5.609 4.320 1.00 12.12 H new ATOM 0 HE1 TYR A 14 10.432 7.993 8.450 1.00 70.54 H new ATOM 0 HE2 TYR A 14 7.683 5.604 6.234 1.00 13.40 H new ATOM 0 HH TYR A 14 7.303 6.279 8.302 1.00 14.44 H new ATOM 491 N GLU A 31 4.049 8.258 -16.553 1.00 64.10 N ATOM 492 CA GLU A 31 2.730 8.828 -16.305 1.00 61.45 C ATOM 493 C GLU A 31 1.815 7.807 -15.636 1.00 35.44 C ATOM 494 O GLU A 31 0.837 7.349 -16.230 1.00 5.13 O ATOM 495 CB GLU A 31 2.104 9.309 -17.616 1.00 34.14 C ATOM 496 CG GLU A 31 3.056 10.115 -18.484 1.00 21.11 C ATOM 497 CD GLU A 31 3.545 9.337 -19.690 1.00 61.32 C ATOM 498 OE1 GLU A 31 4.536 8.589 -19.553 1.00 12.43 O ATOM 499 OE2 GLU A 31 2.937 9.476 -20.772 1.00 74.11 O ATOM 0 HA GLU A 31 2.849 9.679 -15.634 1.00 61.45 H new ATOM 0 HB2 GLU A 31 1.754 8.445 -18.181 1.00 34.14 H new ATOM 0 HB3 GLU A 31 1.229 9.917 -17.389 1.00 34.14 H new ATOM 0 HG2 GLU A 31 2.555 11.023 -18.820 1.00 21.11 H new ATOM 0 HG3 GLU A 31 3.912 10.427 -17.886 1.00 21.11 H new ATOM 506 N VAL A 32 2.138 7.453 -14.397 1.00 51.11 N ATOM 507 CA VAL A 32 1.345 6.486 -13.645 1.00 12.45 C ATOM 508 C VAL A 32 0.563 7.168 -12.528 1.00 40.32 C ATOM 509 O VAL A 32 0.929 8.252 -12.071 1.00 43.50 O ATOM 510 CB VAL A 32 2.232 5.384 -13.038 1.00 31.23 C ATOM 511 CG1 VAL A 32 1.380 4.223 -12.549 1.00 61.11 C ATOM 512 CG2 VAL A 32 3.261 4.909 -14.052 1.00 2.41 C ATOM 0 H VAL A 32 2.944 7.821 -13.891 1.00 51.11 H new ATOM 0 HA VAL A 32 0.647 6.033 -14.349 1.00 12.45 H new ATOM 0 HB VAL A 32 2.764 5.800 -12.182 1.00 31.23 H new ATOM 0 HG11 VAL A 32 2.024 3.453 -12.123 1.00 61.11 H new ATOM 0 HG12 VAL A 32 0.685 4.577 -11.788 1.00 61.11 H new ATOM 0 HG13 VAL A 32 0.820 3.805 -13.385 1.00 61.11 H new ATOM 0 HG21 VAL A 32 3.879 4.130 -13.606 1.00 2.41 H new ATOM 0 HG22 VAL A 32 2.751 4.509 -14.928 1.00 2.41 H new ATOM 0 HG23 VAL A 32 3.892 5.747 -14.350 1.00 2.41 H new ATOM 522 N ILE A 33 -0.516 6.526 -12.091 1.00 11.21 N ATOM 523 CA ILE A 33 -1.348 7.070 -11.026 1.00 61.51 C ATOM 524 C ILE A 33 -1.813 5.970 -10.077 1.00 32.15 C ATOM 525 O ILE A 33 -2.251 4.905 -10.510 1.00 0.42 O ATOM 526 CB ILE A 33 -2.580 7.800 -11.592 1.00 33.31 C ATOM 527 CG1 ILE A 33 -2.157 9.087 -12.300 1.00 2.32 C ATOM 528 CG2 ILE A 33 -3.572 8.104 -10.478 1.00 54.22 C ATOM 529 CD1 ILE A 33 -3.300 9.807 -12.982 1.00 61.12 C ATOM 0 H ILE A 33 -0.834 5.629 -12.458 1.00 11.21 H new ATOM 0 HA ILE A 33 -0.734 7.784 -10.478 1.00 61.51 H new ATOM 0 HB ILE A 33 -3.066 7.151 -12.320 1.00 33.31 H new ATOM 0 HG12 ILE A 33 -1.698 9.758 -11.573 1.00 2.32 H new ATOM 0 HG13 ILE A 33 -1.394 8.850 -13.041 1.00 2.32 H new ATOM 0 HG21 ILE A 33 -4.438 8.620 -10.893 1.00 54.22 H new ATOM 0 HG22 ILE A 33 -3.893 7.172 -10.013 1.00 54.22 H new ATOM 0 HG23 ILE A 33 -3.096 8.738 -9.730 1.00 54.22 H new ATOM 0 HD11 ILE A 33 -2.926 10.711 -13.463 1.00 61.12 H new ATOM 0 HD12 ILE A 33 -3.745 9.154 -13.733 1.00 61.12 H new ATOM 0 HD13 ILE A 33 -4.054 10.076 -12.242 1.00 61.12 H new ATOM 541 N VAL A 34 -1.717 6.238 -8.778 1.00 74.13 N ATOM 542 CA VAL A 34 -2.132 5.272 -7.767 1.00 23.04 C ATOM 543 C VAL A 34 -3.327 5.788 -6.972 1.00 53.33 C ATOM 544 O VAL A 34 -3.608 6.986 -6.962 1.00 14.04 O ATOM 545 CB VAL A 34 -0.981 4.953 -6.793 1.00 61.41 C ATOM 546 CG1 VAL A 34 -0.798 6.083 -5.793 1.00 33.11 C ATOM 547 CG2 VAL A 34 -1.241 3.634 -6.078 1.00 5.41 C ATOM 0 H VAL A 34 -1.356 7.115 -8.402 1.00 74.13 H new ATOM 0 HA VAL A 34 -2.416 4.362 -8.295 1.00 23.04 H new ATOM 0 HB VAL A 34 -0.059 4.856 -7.366 1.00 61.41 H new ATOM 0 HG11 VAL A 34 0.019 5.839 -5.114 1.00 33.11 H new ATOM 0 HG12 VAL A 34 -0.565 7.005 -6.325 1.00 33.11 H new ATOM 0 HG13 VAL A 34 -1.717 6.216 -5.222 1.00 33.11 H new ATOM 0 HG21 VAL A 34 -0.419 3.423 -5.394 1.00 5.41 H new ATOM 0 HG22 VAL A 34 -2.173 3.702 -5.516 1.00 5.41 H new ATOM 0 HG23 VAL A 34 -1.318 2.831 -6.812 1.00 5.41 H new ATOM 557 N ILE A 35 -4.026 4.874 -6.308 1.00 72.32 N ATOM 558 CA ILE A 35 -5.191 5.237 -5.510 1.00 65.45 C ATOM 559 C ILE A 35 -5.034 4.770 -4.066 1.00 62.34 C ATOM 560 O ILE A 35 -4.705 3.612 -3.808 1.00 13.31 O ATOM 561 CB ILE A 35 -6.483 4.634 -6.093 1.00 64.11 C ATOM 562 CG1 ILE A 35 -6.685 5.109 -7.533 1.00 35.13 C ATOM 563 CG2 ILE A 35 -7.679 5.012 -5.232 1.00 65.50 C ATOM 564 CD1 ILE A 35 -7.934 4.553 -8.182 1.00 15.31 C ATOM 0 H ILE A 35 -3.807 3.878 -6.307 1.00 72.32 H new ATOM 0 HA ILE A 35 -5.264 6.324 -5.534 1.00 65.45 H new ATOM 0 HB ILE A 35 -6.392 3.548 -6.096 1.00 64.11 H new ATOM 0 HG12 ILE A 35 -6.733 6.198 -7.545 1.00 35.13 H new ATOM 0 HG13 ILE A 35 -5.818 4.822 -8.127 1.00 35.13 H new ATOM 0 HG21 ILE A 35 -8.585 4.579 -5.657 1.00 65.50 H new ATOM 0 HG22 ILE A 35 -7.534 4.631 -4.221 1.00 65.50 H new ATOM 0 HG23 ILE A 35 -7.776 6.097 -5.201 1.00 65.50 H new ATOM 0 HD11 ILE A 35 -8.014 4.931 -9.201 1.00 15.31 H new ATOM 0 HD12 ILE A 35 -7.880 3.465 -8.202 1.00 15.31 H new ATOM 0 HD13 ILE A 35 -8.809 4.862 -7.611 1.00 15.31 H new ATOM 576 N ALA A 36 -5.272 5.679 -3.127 1.00 22.03 N ATOM 577 CA ALA A 36 -5.160 5.360 -1.709 1.00 13.22 C ATOM 578 C ALA A 36 -6.341 4.515 -1.242 1.00 51.43 C ATOM 579 O ALA A 36 -7.466 5.005 -1.135 1.00 52.34 O ATOM 580 CB ALA A 36 -5.066 6.638 -0.887 1.00 5.12 C ATOM 0 H ALA A 36 -5.544 6.643 -3.322 1.00 22.03 H new ATOM 0 HA ALA A 36 -4.250 4.778 -1.563 1.00 13.22 H new ATOM 0 HB1 ALA A 36 -4.983 6.385 0.170 1.00 5.12 H new ATOM 0 HB2 ALA A 36 -4.187 7.205 -1.195 1.00 5.12 H new ATOM 0 HB3 ALA A 36 -5.960 7.240 -1.047 1.00 5.12 H new ATOM 586 N LYS A 37 -6.079 3.242 -0.966 1.00 44.01 N ATOM 587 CA LYS A 37 -7.118 2.328 -0.511 1.00 24.32 C ATOM 588 C LYS A 37 -7.815 2.872 0.733 1.00 55.14 C ATOM 589 O LYS A 37 -9.006 2.635 0.942 1.00 43.43 O ATOM 590 CB LYS A 37 -6.519 0.951 -0.211 1.00 22.33 C ATOM 591 CG LYS A 37 -6.098 0.187 -1.453 1.00 4.43 C ATOM 592 CD LYS A 37 -5.880 -1.286 -1.155 1.00 72.41 C ATOM 593 CE LYS A 37 -7.191 -1.993 -0.848 1.00 42.52 C ATOM 594 NZ LYS A 37 -7.646 -2.839 -1.985 1.00 11.22 N ATOM 0 H LYS A 37 -5.154 2.820 -1.050 1.00 44.01 H new ATOM 0 HA LYS A 37 -7.856 2.232 -1.307 1.00 24.32 H new ATOM 0 HB2 LYS A 37 -5.653 1.075 0.440 1.00 22.33 H new ATOM 0 HB3 LYS A 37 -7.250 0.358 0.339 1.00 22.33 H new ATOM 0 HG2 LYS A 37 -6.862 0.294 -2.223 1.00 4.43 H new ATOM 0 HG3 LYS A 37 -5.180 0.618 -1.852 1.00 4.43 H new ATOM 0 HD2 LYS A 37 -5.399 -1.764 -2.009 1.00 72.41 H new ATOM 0 HD3 LYS A 37 -5.202 -1.390 -0.308 1.00 72.41 H new ATOM 0 HE2 LYS A 37 -7.069 -2.613 0.040 1.00 42.52 H new ATOM 0 HE3 LYS A 37 -7.957 -1.253 -0.617 1.00 42.52 H new ATOM 0 HZ1 LYS A 37 -8.542 -3.303 -1.735 1.00 11.22 H new ATOM 0 HZ2 LYS A 37 -7.787 -2.244 -2.826 1.00 11.22 H new ATOM 0 HZ3 LYS A 37 -6.927 -3.562 -2.189 1.00 11.22 H new ATOM 608 N TRP A 38 -7.067 3.602 1.552 1.00 31.01 N ATOM 609 CA TRP A 38 -7.615 4.182 2.774 1.00 1.13 C ATOM 610 C TRP A 38 -6.932 5.504 3.103 1.00 44.13 C ATOM 611 O TRP A 38 -6.193 6.054 2.284 1.00 73.41 O ATOM 612 CB TRP A 38 -7.456 3.207 3.941 1.00 73.44 C ATOM 613 CG TRP A 38 -6.994 1.845 3.518 1.00 60.15 C ATOM 614 CD1 TRP A 38 -5.703 1.403 3.451 1.00 42.35 C ATOM 615 CD2 TRP A 38 -7.817 0.750 3.104 1.00 41.54 C ATOM 616 NE1 TRP A 38 -5.676 0.099 3.019 1.00 10.13 N ATOM 617 CE2 TRP A 38 -6.960 -0.326 2.800 1.00 25.31 C ATOM 618 CE3 TRP A 38 -9.197 0.572 2.963 1.00 2.12 C ATOM 619 CZ2 TRP A 38 -7.437 -1.558 2.363 1.00 41.44 C ATOM 620 CZ3 TRP A 38 -9.669 -0.651 2.527 1.00 33.52 C ATOM 621 CH2 TRP A 38 -8.791 -1.703 2.233 1.00 60.34 C ATOM 0 H TRP A 38 -6.080 3.807 1.393 1.00 31.01 H new ATOM 0 HA TRP A 38 -8.676 4.374 2.612 1.00 1.13 H new ATOM 0 HB2 TRP A 38 -6.743 3.619 4.655 1.00 73.44 H new ATOM 0 HB3 TRP A 38 -8.410 3.114 4.460 1.00 73.44 H new ATOM 0 HD1 TRP A 38 -4.833 1.991 3.701 1.00 42.35 H new ATOM 0 HE1 TRP A 38 -4.835 -0.462 2.883 1.00 10.13 H new ATOM 0 HE3 TRP A 38 -9.881 1.376 3.191 1.00 2.12 H new ATOM 0 HZ2 TRP A 38 -6.763 -2.370 2.135 1.00 41.44 H new ATOM 0 HZ3 TRP A 38 -10.732 -0.799 2.411 1.00 33.52 H new ATOM 0 HH2 TRP A 38 -9.192 -2.648 1.897 1.00 60.34 H new ATOM 632 N ASP A 39 -7.181 6.011 4.306 1.00 63.33 N ATOM 633 CA ASP A 39 -6.587 7.268 4.744 1.00 73.20 C ATOM 634 C ASP A 39 -5.487 7.021 5.772 1.00 51.13 C ATOM 635 O ASP A 39 -5.693 6.312 6.758 1.00 61.15 O ATOM 636 CB ASP A 39 -7.659 8.184 5.335 1.00 14.11 C ATOM 637 CG ASP A 39 -8.770 7.410 6.019 1.00 41.11 C ATOM 638 OD1 ASP A 39 -9.952 7.685 5.725 1.00 22.43 O ATOM 639 OD2 ASP A 39 -8.456 6.528 6.845 1.00 61.32 O ATOM 0 H ASP A 39 -7.790 5.570 4.995 1.00 63.33 H new ATOM 0 HA ASP A 39 -6.144 7.754 3.875 1.00 73.20 H new ATOM 0 HB2 ASP A 39 -7.198 8.862 6.053 1.00 14.11 H new ATOM 0 HB3 ASP A 39 -8.084 8.800 4.542 1.00 14.11 H new ATOM 645 N TYR A 40 -4.320 7.611 5.536 1.00 63.34 N ATOM 646 CA TYR A 40 -3.188 7.451 6.440 1.00 25.53 C ATOM 647 C TYR A 40 -2.654 8.809 6.888 1.00 72.25 C ATOM 648 O TYR A 40 -2.585 9.753 6.101 1.00 2.12 O ATOM 649 CB TYR A 40 -2.074 6.652 5.761 1.00 51.11 C ATOM 650 CG TYR A 40 -1.285 5.782 6.713 1.00 11.24 C ATOM 651 CD1 TYR A 40 -1.924 4.876 7.551 1.00 54.35 C ATOM 652 CD2 TYR A 40 0.101 5.868 6.779 1.00 13.13 C ATOM 653 CE1 TYR A 40 -1.207 4.081 8.423 1.00 73.22 C ATOM 654 CE2 TYR A 40 0.826 5.076 7.647 1.00 12.13 C ATOM 655 CZ TYR A 40 0.167 4.184 8.466 1.00 24.34 C ATOM 656 OH TYR A 40 0.885 3.394 9.334 1.00 44.45 O ATOM 0 H TYR A 40 -4.134 8.204 4.727 1.00 63.34 H new ATOM 0 HA TYR A 40 -3.532 6.906 7.319 1.00 25.53 H new ATOM 0 HB2 TYR A 40 -2.511 6.023 4.985 1.00 51.11 H new ATOM 0 HB3 TYR A 40 -1.393 7.344 5.265 1.00 51.11 H new ATOM 0 HD1 TYR A 40 -3.000 4.792 7.520 1.00 54.35 H new ATOM 0 HD2 TYR A 40 0.620 6.567 6.140 1.00 13.13 H new ATOM 0 HE1 TYR A 40 -1.720 3.382 9.068 1.00 73.22 H new ATOM 0 HE2 TYR A 40 1.902 5.155 7.684 1.00 12.13 H new ATOM 0 HH TYR A 40 0.410 2.549 9.476 1.00 44.45 H new ATOM 666 N THR A 41 -2.275 8.898 8.160 1.00 43.35 N ATOM 667 CA THR A 41 -1.747 10.138 8.714 1.00 52.00 C ATOM 668 C THR A 41 -0.226 10.177 8.624 1.00 4.41 C ATOM 669 O THR A 41 0.457 9.257 9.073 1.00 31.13 O ATOM 670 CB THR A 41 -2.166 10.318 10.185 1.00 72.11 C ATOM 671 OG1 THR A 41 -3.532 9.923 10.357 1.00 12.35 O ATOM 672 CG2 THR A 41 -1.993 11.765 10.624 1.00 42.55 C ATOM 0 H THR A 41 -2.324 8.126 8.825 1.00 43.35 H new ATOM 0 HA THR A 41 -2.165 10.952 8.121 1.00 52.00 H new ATOM 0 HB THR A 41 -1.525 9.688 10.802 1.00 72.11 H new ATOM 0 HG1 THR A 41 -3.790 10.039 11.295 1.00 12.35 H new ATOM 0 HG21 THR A 41 -2.295 11.868 11.666 1.00 42.55 H new ATOM 0 HG22 THR A 41 -0.947 12.054 10.519 1.00 42.55 H new ATOM 0 HG23 THR A 41 -2.612 12.411 10.001 1.00 42.55 H new ATOM 680 N ALA A 42 0.300 11.248 8.039 1.00 2.34 N ATOM 681 CA ALA A 42 1.741 11.408 7.892 1.00 2.25 C ATOM 682 C ALA A 42 2.445 11.311 9.241 1.00 70.24 C ATOM 683 O ALA A 42 2.462 12.269 10.014 1.00 73.14 O ATOM 684 CB ALA A 42 2.060 12.739 7.223 1.00 62.15 C ATOM 0 H ALA A 42 -0.251 12.018 7.659 1.00 2.34 H new ATOM 0 HA ALA A 42 2.108 10.599 7.261 1.00 2.25 H new ATOM 0 HB1 ALA A 42 3.140 12.845 7.120 1.00 62.15 H new ATOM 0 HB2 ALA A 42 1.596 12.771 6.237 1.00 62.15 H new ATOM 0 HB3 ALA A 42 1.672 13.555 7.833 1.00 62.15 H new ATOM 690 N GLN A 43 3.025 10.147 9.519 1.00 1.02 N ATOM 691 CA GLN A 43 3.729 9.926 10.776 1.00 63.01 C ATOM 692 C GLN A 43 4.939 10.845 10.891 1.00 65.12 C ATOM 693 O GLN A 43 5.329 11.240 11.990 1.00 72.32 O ATOM 694 CB GLN A 43 4.169 8.465 10.888 1.00 52.10 C ATOM 695 CG GLN A 43 4.890 7.951 9.651 1.00 72.23 C ATOM 696 CD GLN A 43 4.075 6.926 8.885 1.00 44.25 C ATOM 697 OE1 GLN A 43 3.913 5.788 9.329 1.00 64.13 O ATOM 698 NE2 GLN A 43 3.560 7.323 7.729 1.00 32.34 N ATOM 0 H GLN A 43 3.021 9.344 8.891 1.00 1.02 H new ATOM 0 HA GLN A 43 3.044 10.155 11.592 1.00 63.01 H new ATOM 0 HB2 GLN A 43 4.825 8.357 11.752 1.00 52.10 H new ATOM 0 HB3 GLN A 43 3.293 7.843 11.073 1.00 52.10 H new ATOM 0 HG2 GLN A 43 5.121 8.790 8.995 1.00 72.23 H new ATOM 0 HG3 GLN A 43 5.840 7.507 9.947 1.00 72.23 H new ATOM 0 HE21 GLN A 43 3.720 8.275 7.400 1.00 32.34 H new ATOM 0 HE22 GLN A 43 3.004 6.676 7.169 1.00 32.34 H new ATOM 707 N GLN A 44 5.533 11.181 9.750 1.00 51.22 N ATOM 708 CA GLN A 44 6.701 12.052 9.724 1.00 4.43 C ATOM 709 C GLN A 44 6.579 13.093 8.616 1.00 21.14 C ATOM 710 O GLN A 44 5.825 12.911 7.661 1.00 3.15 O ATOM 711 CB GLN A 44 7.975 11.227 9.525 1.00 1.22 C ATOM 712 CG GLN A 44 8.133 10.101 10.533 1.00 62.41 C ATOM 713 CD GLN A 44 9.399 9.296 10.315 1.00 32.22 C ATOM 714 OE1 GLN A 44 10.409 9.821 9.848 1.00 3.22 O ATOM 715 NE2 GLN A 44 9.351 8.013 10.655 1.00 3.21 N ATOM 0 H GLN A 44 5.224 10.863 8.832 1.00 51.22 H new ATOM 0 HA GLN A 44 6.757 12.570 10.681 1.00 4.43 H new ATOM 0 HB2 GLN A 44 7.972 10.806 8.520 1.00 1.22 H new ATOM 0 HB3 GLN A 44 8.840 11.887 9.592 1.00 1.22 H new ATOM 0 HG2 GLN A 44 8.141 10.518 11.540 1.00 62.41 H new ATOM 0 HG3 GLN A 44 7.270 9.438 10.470 1.00 62.41 H new ATOM 0 HE21 GLN A 44 8.492 7.619 11.039 1.00 3.21 H new ATOM 0 HE22 GLN A 44 10.173 7.422 10.532 1.00 3.21 H new ATOM 724 N ASP A 45 7.325 14.186 8.754 1.00 53.24 N ATOM 725 CA ASP A 45 7.299 15.257 7.763 1.00 62.54 C ATOM 726 C ASP A 45 7.680 14.730 6.382 1.00 30.52 C ATOM 727 O ASP A 45 7.325 15.322 5.364 1.00 35.04 O ATOM 728 CB ASP A 45 8.251 16.381 8.175 1.00 61.14 C ATOM 729 CG ASP A 45 7.653 17.288 9.231 1.00 23.21 C ATOM 730 OD1 ASP A 45 8.264 18.338 9.527 1.00 13.42 O ATOM 731 OD2 ASP A 45 6.576 16.949 9.764 1.00 20.21 O ATOM 0 H ASP A 45 7.953 14.353 9.540 1.00 53.24 H new ATOM 0 HA ASP A 45 6.283 15.650 7.713 1.00 62.54 H new ATOM 0 HB2 ASP A 45 9.177 15.948 8.554 1.00 61.14 H new ATOM 0 HB3 ASP A 45 8.511 16.973 7.297 1.00 61.14 H new ATOM 737 N GLN A 46 8.403 13.616 6.359 1.00 11.20 N ATOM 738 CA GLN A 46 8.832 13.011 5.104 1.00 3.23 C ATOM 739 C GLN A 46 7.684 12.260 4.440 1.00 60.24 C ATOM 740 O GLN A 46 7.648 12.115 3.219 1.00 71.24 O ATOM 741 CB GLN A 46 10.008 12.062 5.346 1.00 71.31 C ATOM 742 CG GLN A 46 11.363 12.679 5.039 1.00 74.43 C ATOM 743 CD GLN A 46 12.495 11.995 5.779 1.00 41.53 C ATOM 744 OE1 GLN A 46 12.665 10.779 5.692 1.00 54.14 O ATOM 745 NE2 GLN A 46 13.280 12.775 6.513 1.00 60.43 N ATOM 0 H GLN A 46 8.704 13.114 7.194 1.00 11.20 H new ATOM 0 HA GLN A 46 9.152 13.810 4.436 1.00 3.23 H new ATOM 0 HB2 GLN A 46 9.994 11.737 6.386 1.00 71.31 H new ATOM 0 HB3 GLN A 46 9.877 11.171 4.732 1.00 71.31 H new ATOM 0 HG2 GLN A 46 11.549 12.623 3.966 1.00 74.43 H new ATOM 0 HG3 GLN A 46 11.346 13.736 5.305 1.00 74.43 H new ATOM 0 HE21 GLN A 46 13.104 13.779 6.558 1.00 60.43 H new ATOM 0 HE22 GLN A 46 14.059 12.370 7.032 1.00 60.43 H new ATOM 754 N GLU A 47 6.747 11.783 5.255 1.00 52.25 N ATOM 755 CA GLU A 47 5.597 11.045 4.744 1.00 34.50 C ATOM 756 C GLU A 47 4.513 11.999 4.250 1.00 70.11 C ATOM 757 O GLU A 47 4.530 13.191 4.563 1.00 71.42 O ATOM 758 CB GLU A 47 5.028 10.129 5.831 1.00 1.20 C ATOM 759 CG GLU A 47 6.095 9.389 6.623 1.00 11.54 C ATOM 760 CD GLU A 47 7.244 8.919 5.753 1.00 23.50 C ATOM 761 OE1 GLU A 47 6.987 8.195 4.769 1.00 21.01 O ATOM 762 OE2 GLU A 47 8.402 9.274 6.058 1.00 11.42 O ATOM 0 H GLU A 47 6.762 11.894 6.269 1.00 52.25 H new ATOM 0 HA GLU A 47 5.932 10.437 3.904 1.00 34.50 H new ATOM 0 HB2 GLU A 47 4.425 10.724 6.517 1.00 1.20 H new ATOM 0 HB3 GLU A 47 4.360 9.402 5.369 1.00 1.20 H new ATOM 0 HG2 GLU A 47 6.480 10.042 7.406 1.00 11.54 H new ATOM 0 HG3 GLU A 47 5.644 8.529 7.119 1.00 11.54 H new ATOM 769 N LEU A 48 3.574 11.468 3.476 1.00 63.23 N ATOM 770 CA LEU A 48 2.482 12.271 2.938 1.00 61.21 C ATOM 771 C LEU A 48 1.134 11.766 3.443 1.00 3.41 C ATOM 772 O LEU A 48 0.874 10.563 3.455 1.00 15.53 O ATOM 773 CB LEU A 48 2.508 12.243 1.407 1.00 22.12 C ATOM 774 CG LEU A 48 2.176 13.560 0.706 1.00 23.35 C ATOM 775 CD1 LEU A 48 3.219 14.617 1.035 1.00 2.43 C ATOM 776 CD2 LEU A 48 2.078 13.353 -0.798 1.00 21.11 C ATOM 0 H LEU A 48 3.547 10.485 3.207 1.00 63.23 H new ATOM 0 HA LEU A 48 2.616 13.297 3.280 1.00 61.21 H new ATOM 0 HB2 LEU A 48 3.500 11.924 1.086 1.00 22.12 H new ATOM 0 HB3 LEU A 48 1.803 11.485 1.065 1.00 22.12 H new ATOM 0 HG LEU A 48 1.209 13.909 1.068 1.00 23.35 H new ATOM 0 HD11 LEU A 48 2.966 15.548 0.527 1.00 2.43 H new ATOM 0 HD12 LEU A 48 3.240 14.785 2.112 1.00 2.43 H new ATOM 0 HD13 LEU A 48 4.200 14.277 0.702 1.00 2.43 H new ATOM 0 HD21 LEU A 48 1.841 14.301 -1.281 1.00 21.11 H new ATOM 0 HD22 LEU A 48 3.030 12.981 -1.177 1.00 21.11 H new ATOM 0 HD23 LEU A 48 1.293 12.629 -1.015 1.00 21.11 H new ATOM 788 N ASP A 49 0.279 12.695 3.859 1.00 54.03 N ATOM 789 CA ASP A 49 -1.044 12.346 4.363 1.00 24.41 C ATOM 790 C ASP A 49 -2.005 12.061 3.214 1.00 42.42 C ATOM 791 O ASP A 49 -2.347 12.958 2.442 1.00 55.40 O ATOM 792 CB ASP A 49 -1.594 13.474 5.237 1.00 52.51 C ATOM 793 CG ASP A 49 -0.547 14.044 6.175 1.00 70.23 C ATOM 794 OD1 ASP A 49 -0.637 13.785 7.393 1.00 13.14 O ATOM 795 OD2 ASP A 49 0.364 14.746 5.689 1.00 52.31 O ATOM 0 H ASP A 49 0.479 13.695 3.857 1.00 54.03 H new ATOM 0 HA ASP A 49 -0.950 11.443 4.966 1.00 24.41 H new ATOM 0 HB2 ASP A 49 -1.978 14.270 4.599 1.00 52.51 H new ATOM 0 HB3 ASP A 49 -2.435 13.100 5.821 1.00 52.51 H new ATOM 801 N ILE A 50 -2.436 10.810 3.106 1.00 54.05 N ATOM 802 CA ILE A 50 -3.358 10.407 2.050 1.00 10.11 C ATOM 803 C ILE A 50 -4.753 10.149 2.609 1.00 54.22 C ATOM 804 O ILE A 50 -4.907 9.669 3.732 1.00 52.21 O ATOM 805 CB ILE A 50 -2.867 9.140 1.325 1.00 3.15 C ATOM 806 CG1 ILE A 50 -2.465 8.069 2.340 1.00 5.33 C ATOM 807 CG2 ILE A 50 -1.698 9.475 0.410 1.00 40.12 C ATOM 808 CD1 ILE A 50 -2.093 6.746 1.707 1.00 22.31 C ATOM 0 H ILE A 50 -2.162 10.057 3.737 1.00 54.05 H new ATOM 0 HA ILE A 50 -3.399 11.230 1.337 1.00 10.11 H new ATOM 0 HB ILE A 50 -3.681 8.748 0.715 1.00 3.15 H new ATOM 0 HG12 ILE A 50 -1.620 8.433 2.925 1.00 5.33 H new ATOM 0 HG13 ILE A 50 -3.290 7.911 3.035 1.00 5.33 H new ATOM 0 HG21 ILE A 50 -1.361 8.570 -0.096 1.00 40.12 H new ATOM 0 HG22 ILE A 50 -2.015 10.209 -0.331 1.00 40.12 H new ATOM 0 HG23 ILE A 50 -0.880 9.886 1.001 1.00 40.12 H new ATOM 0 HD11 ILE A 50 -1.819 6.034 2.486 1.00 22.31 H new ATOM 0 HD12 ILE A 50 -2.943 6.360 1.145 1.00 22.31 H new ATOM 0 HD13 ILE A 50 -1.248 6.890 1.033 1.00 22.31 H new ATOM 820 N LYS A 51 -5.770 10.471 1.816 1.00 54.03 N ATOM 821 CA LYS A 51 -7.155 10.272 2.228 1.00 35.35 C ATOM 822 C LYS A 51 -7.817 9.175 1.400 1.00 22.40 C ATOM 823 O LYS A 51 -7.393 8.885 0.282 1.00 63.50 O ATOM 824 CB LYS A 51 -7.943 11.577 2.088 1.00 51.10 C ATOM 825 CG LYS A 51 -7.188 12.800 2.580 1.00 74.24 C ATOM 826 CD LYS A 51 -8.110 13.997 2.741 1.00 11.12 C ATOM 827 CE LYS A 51 -7.323 15.287 2.913 1.00 31.53 C ATOM 828 NZ LYS A 51 -8.213 16.444 3.210 1.00 33.00 N ATOM 0 H LYS A 51 -5.661 10.871 0.884 1.00 54.03 H new ATOM 0 HA LYS A 51 -7.156 9.964 3.274 1.00 35.35 H new ATOM 0 HB2 LYS A 51 -8.208 11.721 1.040 1.00 51.10 H new ATOM 0 HB3 LYS A 51 -8.877 11.489 2.644 1.00 51.10 H new ATOM 0 HG2 LYS A 51 -6.712 12.575 3.534 1.00 74.24 H new ATOM 0 HG3 LYS A 51 -6.392 13.045 1.877 1.00 74.24 H new ATOM 0 HD2 LYS A 51 -8.758 14.078 1.868 1.00 11.12 H new ATOM 0 HD3 LYS A 51 -8.757 13.846 3.605 1.00 11.12 H new ATOM 0 HE2 LYS A 51 -6.601 15.167 3.721 1.00 31.53 H new ATOM 0 HE3 LYS A 51 -6.755 15.490 2.005 1.00 31.53 H new ATOM 0 HZ1 LYS A 51 -7.639 17.304 3.320 1.00 33.00 H new ATOM 0 HZ2 LYS A 51 -8.886 16.574 2.428 1.00 33.00 H new ATOM 0 HZ3 LYS A 51 -8.737 16.262 4.090 1.00 33.00 H new ATOM 842 N LYS A 52 -8.861 8.570 1.957 1.00 42.02 N ATOM 843 CA LYS A 52 -9.584 7.505 1.270 1.00 1.14 C ATOM 844 C LYS A 52 -9.998 7.946 -0.130 1.00 74.44 C ATOM 845 O LYS A 52 -10.326 9.110 -0.353 1.00 74.12 O ATOM 846 CB LYS A 52 -10.820 7.099 2.076 1.00 41.25 C ATOM 847 CG LYS A 52 -11.927 8.138 2.058 1.00 45.31 C ATOM 848 CD LYS A 52 -11.659 9.255 3.051 1.00 4.44 C ATOM 849 CE LYS A 52 -11.250 10.541 2.348 1.00 61.11 C ATOM 850 NZ LYS A 52 -12.418 11.237 1.740 1.00 74.23 N ATOM 0 H LYS A 52 -9.225 8.799 2.882 1.00 42.02 H new ATOM 0 HA LYS A 52 -8.919 6.646 1.179 1.00 1.14 H new ATOM 0 HB2 LYS A 52 -11.208 6.160 1.681 1.00 41.25 H new ATOM 0 HB3 LYS A 52 -10.525 6.913 3.109 1.00 41.25 H new ATOM 0 HG2 LYS A 52 -12.019 8.556 1.055 1.00 45.31 H new ATOM 0 HG3 LYS A 52 -12.879 7.661 2.293 1.00 45.31 H new ATOM 0 HD2 LYS A 52 -12.553 9.434 3.648 1.00 4.44 H new ATOM 0 HD3 LYS A 52 -10.871 8.949 3.740 1.00 4.44 H new ATOM 0 HE2 LYS A 52 -10.762 11.205 3.061 1.00 61.11 H new ATOM 0 HE3 LYS A 52 -10.519 10.314 1.572 1.00 61.11 H new ATOM 0 HZ1 LYS A 52 -12.097 12.108 1.271 1.00 74.23 H new ATOM 0 HZ2 LYS A 52 -12.869 10.613 1.041 1.00 74.23 H new ATOM 0 HZ3 LYS A 52 -13.105 11.477 2.483 1.00 74.23 H new ATOM 864 N ASN A 53 -9.983 7.006 -1.070 1.00 4.12 N ATOM 865 CA ASN A 53 -10.358 7.298 -2.449 1.00 44.05 C ATOM 866 C ASN A 53 -9.620 8.530 -2.965 1.00 73.44 C ATOM 867 O ASN A 53 -10.242 9.494 -3.411 1.00 42.43 O ATOM 868 CB ASN A 53 -11.869 7.514 -2.553 1.00 71.23 C ATOM 869 CG ASN A 53 -12.341 7.617 -3.990 1.00 21.25 C ATOM 870 OD1 ASN A 53 -12.260 6.654 -4.753 1.00 72.23 O ATOM 871 ND2 ASN A 53 -12.837 8.790 -4.367 1.00 11.03 N ATOM 0 H ASN A 53 -9.715 6.036 -0.902 1.00 4.12 H new ATOM 0 HA ASN A 53 -10.076 6.444 -3.065 1.00 44.05 H new ATOM 0 HB2 ASN A 53 -12.386 6.689 -2.062 1.00 71.23 H new ATOM 0 HB3 ASN A 53 -12.141 8.424 -2.018 1.00 71.23 H new ATOM 0 HD21 ASN A 53 -13.170 8.920 -5.322 1.00 11.03 H new ATOM 0 HD22 ASN A 53 -12.885 9.561 -3.701 1.00 11.03 H new ATOM 878 N GLU A 54 -8.293 8.489 -2.900 1.00 34.44 N ATOM 879 CA GLU A 54 -7.472 9.602 -3.360 1.00 54.21 C ATOM 880 C GLU A 54 -6.479 9.143 -4.424 1.00 51.43 C ATOM 881 O GLU A 54 -5.775 8.150 -4.243 1.00 71.44 O ATOM 882 CB GLU A 54 -6.722 10.232 -2.185 1.00 62.20 C ATOM 883 CG GLU A 54 -5.905 11.454 -2.569 1.00 21.12 C ATOM 884 CD GLU A 54 -6.691 12.744 -2.446 1.00 55.43 C ATOM 885 OE1 GLU A 54 -7.149 13.056 -1.328 1.00 2.31 O ATOM 886 OE2 GLU A 54 -6.851 13.442 -3.472 1.00 65.22 O ATOM 0 H GLU A 54 -7.764 7.698 -2.533 1.00 34.44 H new ATOM 0 HA GLU A 54 -8.132 10.348 -3.802 1.00 54.21 H new ATOM 0 HB2 GLU A 54 -7.441 10.513 -1.415 1.00 62.20 H new ATOM 0 HB3 GLU A 54 -6.060 9.486 -1.746 1.00 62.20 H new ATOM 0 HG2 GLU A 54 -5.021 11.510 -1.934 1.00 21.12 H new ATOM 0 HG3 GLU A 54 -5.554 11.344 -3.595 1.00 21.12 H new ATOM 893 N ARG A 55 -6.431 9.873 -5.534 1.00 45.24 N ATOM 894 CA ARG A 55 -5.526 9.540 -6.627 1.00 60.21 C ATOM 895 C ARG A 55 -4.365 10.526 -6.692 1.00 44.22 C ATOM 896 O ARG A 55 -4.518 11.705 -6.368 1.00 62.23 O ATOM 897 CB ARG A 55 -6.280 9.536 -7.959 1.00 33.30 C ATOM 898 CG ARG A 55 -7.283 10.670 -8.094 1.00 42.32 C ATOM 899 CD ARG A 55 -7.804 10.786 -9.518 1.00 73.34 C ATOM 900 NE ARG A 55 -7.614 12.128 -10.063 1.00 73.15 N ATOM 901 CZ ARG A 55 -8.011 12.490 -11.277 1.00 12.23 C ATOM 902 NH1 ARG A 55 -8.617 11.616 -12.070 1.00 35.12 N ATOM 903 NH2 ARG A 55 -7.802 13.730 -11.702 1.00 15.41 N ATOM 0 H ARG A 55 -7.008 10.698 -5.700 1.00 45.24 H new ATOM 0 HA ARG A 55 -5.124 8.544 -6.441 1.00 60.21 H new ATOM 0 HB2 ARG A 55 -5.560 9.600 -8.775 1.00 33.30 H new ATOM 0 HB3 ARG A 55 -6.802 8.585 -8.069 1.00 33.30 H new ATOM 0 HG2 ARG A 55 -8.117 10.502 -7.413 1.00 42.32 H new ATOM 0 HG3 ARG A 55 -6.814 11.609 -7.799 1.00 42.32 H new ATOM 0 HD2 ARG A 55 -7.292 10.062 -10.151 1.00 73.34 H new ATOM 0 HD3 ARG A 55 -8.864 10.533 -9.538 1.00 73.34 H new ATOM 0 HE ARG A 55 -7.151 12.825 -9.479 1.00 73.15 H new ATOM 0 HH11 ARG A 55 -8.779 10.662 -11.748 1.00 35.12 H new ATOM 0 HH12 ARG A 55 -8.921 11.898 -13.002 1.00 35.12 H new ATOM 0 HH21 ARG A 55 -7.336 14.405 -11.096 1.00 15.41 H new ATOM 0 HH22 ARG A 55 -8.107 14.008 -12.635 1.00 15.41 H new ATOM 917 N LEU A 56 -3.203 10.039 -7.114 1.00 73.03 N ATOM 918 CA LEU A 56 -2.014 10.877 -7.221 1.00 2.52 C ATOM 919 C LEU A 56 -1.133 10.427 -8.383 1.00 33.33 C ATOM 920 O LEU A 56 -1.435 9.443 -9.058 1.00 1.44 O ATOM 921 CB LEU A 56 -1.218 10.837 -5.916 1.00 41.14 C ATOM 922 CG LEU A 56 -1.538 11.934 -4.900 1.00 10.54 C ATOM 923 CD1 LEU A 56 -2.676 11.503 -3.990 1.00 23.34 C ATOM 924 CD2 LEU A 56 -0.301 12.282 -4.084 1.00 51.24 C ATOM 0 H LEU A 56 -3.059 9.067 -7.388 1.00 73.03 H new ATOM 0 HA LEU A 56 -2.337 11.901 -7.410 1.00 2.52 H new ATOM 0 HB2 LEU A 56 -1.385 9.870 -5.441 1.00 41.14 H new ATOM 0 HB3 LEU A 56 -0.157 10.893 -6.159 1.00 41.14 H new ATOM 0 HG LEU A 56 -1.853 12.825 -5.443 1.00 10.54 H new ATOM 0 HD11 LEU A 56 -2.890 12.296 -3.274 1.00 23.34 H new ATOM 0 HD12 LEU A 56 -3.565 11.305 -4.588 1.00 23.34 H new ATOM 0 HD13 LEU A 56 -2.391 10.598 -3.454 1.00 23.34 H new ATOM 0 HD21 LEU A 56 -0.547 13.064 -3.366 1.00 51.24 H new ATOM 0 HD22 LEU A 56 0.044 11.396 -3.551 1.00 51.24 H new ATOM 0 HD23 LEU A 56 0.487 12.635 -4.750 1.00 51.24 H new ATOM 936 N TRP A 57 -0.045 11.153 -8.608 1.00 65.00 N ATOM 937 CA TRP A 57 0.882 10.827 -9.686 1.00 62.45 C ATOM 938 C TRP A 57 2.026 9.958 -9.177 1.00 63.12 C ATOM 939 O TRP A 57 2.870 10.415 -8.405 1.00 45.12 O ATOM 940 CB TRP A 57 1.438 12.106 -10.313 1.00 10.21 C ATOM 941 CG TRP A 57 0.483 12.768 -11.260 1.00 20.31 C ATOM 942 CD1 TRP A 57 0.613 12.872 -12.615 1.00 42.02 C ATOM 943 CD2 TRP A 57 -0.748 13.417 -10.921 1.00 54.24 C ATOM 944 NE1 TRP A 57 -0.462 13.549 -13.140 1.00 71.42 N ATOM 945 CE2 TRP A 57 -1.312 13.893 -12.121 1.00 64.22 C ATOM 946 CE3 TRP A 57 -1.429 13.642 -9.722 1.00 45.31 C ATOM 947 CZ2 TRP A 57 -2.522 14.578 -12.153 1.00 12.13 C ATOM 948 CZ3 TRP A 57 -2.630 14.322 -9.756 1.00 13.23 C ATOM 949 CH2 TRP A 57 -3.168 14.784 -10.965 1.00 43.31 C ATOM 0 H TRP A 57 0.218 11.971 -8.059 1.00 65.00 H new ATOM 0 HA TRP A 57 0.335 10.267 -10.444 1.00 62.45 H new ATOM 0 HB2 TRP A 57 1.697 12.808 -9.520 1.00 10.21 H new ATOM 0 HB3 TRP A 57 2.360 11.870 -10.844 1.00 10.21 H new ATOM 0 HD1 TRP A 57 1.439 12.480 -13.190 1.00 42.02 H new ATOM 0 HE1 TRP A 57 -0.604 13.761 -14.128 1.00 71.42 H new ATOM 0 HE3 TRP A 57 -1.023 13.290 -8.785 1.00 45.31 H new ATOM 0 HZ2 TRP A 57 -2.937 14.935 -13.084 1.00 12.13 H new ATOM 0 HZ3 TRP A 57 -3.164 14.501 -8.835 1.00 13.23 H new ATOM 0 HH2 TRP A 57 -4.110 15.312 -10.958 1.00 43.31 H new ATOM 960 N LEU A 58 2.049 8.703 -9.612 1.00 42.11 N ATOM 961 CA LEU A 58 3.091 7.769 -9.200 1.00 43.10 C ATOM 962 C LEU A 58 4.451 8.195 -9.741 1.00 4.32 C ATOM 963 O LEU A 58 4.628 8.356 -10.950 1.00 23.00 O ATOM 964 CB LEU A 58 2.758 6.356 -9.684 1.00 22.34 C ATOM 965 CG LEU A 58 2.531 5.308 -8.593 1.00 1.23 C ATOM 966 CD1 LEU A 58 2.338 3.931 -9.207 1.00 52.43 C ATOM 967 CD2 LEU A 58 3.694 5.300 -7.612 1.00 5.22 C ATOM 0 H LEU A 58 1.358 8.309 -10.250 1.00 42.11 H new ATOM 0 HA LEU A 58 3.136 7.773 -8.111 1.00 43.10 H new ATOM 0 HB2 LEU A 58 1.862 6.407 -10.302 1.00 22.34 H new ATOM 0 HB3 LEU A 58 3.569 6.013 -10.326 1.00 22.34 H new ATOM 0 HG LEU A 58 1.624 5.569 -8.048 1.00 1.23 H new ATOM 0 HD11 LEU A 58 2.178 3.199 -8.415 1.00 52.43 H new ATOM 0 HD12 LEU A 58 1.472 3.946 -9.868 1.00 52.43 H new ATOM 0 HD13 LEU A 58 3.226 3.660 -9.778 1.00 52.43 H new ATOM 0 HD21 LEU A 58 3.516 4.549 -6.843 1.00 5.22 H new ATOM 0 HD22 LEU A 58 4.616 5.064 -8.143 1.00 5.22 H new ATOM 0 HD23 LEU A 58 3.784 6.282 -7.147 1.00 5.22 H new ATOM 979 N LEU A 59 5.410 8.378 -8.841 1.00 60.35 N ATOM 980 CA LEU A 59 6.757 8.784 -9.228 1.00 53.13 C ATOM 981 C LEU A 59 7.690 7.579 -9.297 1.00 3.12 C ATOM 982 O LEU A 59 8.089 7.153 -10.381 1.00 74.55 O ATOM 983 CB LEU A 59 7.305 9.814 -8.237 1.00 74.41 C ATOM 984 CG LEU A 59 6.498 11.103 -8.094 1.00 33.13 C ATOM 985 CD1 LEU A 59 7.229 12.095 -7.203 1.00 15.24 C ATOM 986 CD2 LEU A 59 6.221 11.714 -9.461 1.00 32.21 C ATOM 0 H LEU A 59 5.280 8.252 -7.837 1.00 60.35 H new ATOM 0 HA LEU A 59 6.704 9.235 -10.219 1.00 53.13 H new ATOM 0 HB2 LEU A 59 7.376 9.343 -7.257 1.00 74.41 H new ATOM 0 HB3 LEU A 59 8.319 10.076 -8.539 1.00 74.41 H new ATOM 0 HG LEU A 59 5.544 10.861 -7.626 1.00 33.13 H new ATOM 0 HD11 LEU A 59 6.639 13.007 -7.113 1.00 15.24 H new ATOM 0 HD12 LEU A 59 7.375 11.658 -6.215 1.00 15.24 H new ATOM 0 HD13 LEU A 59 8.198 12.332 -7.641 1.00 15.24 H new ATOM 0 HD21 LEU A 59 5.645 12.631 -9.340 1.00 32.21 H new ATOM 0 HD22 LEU A 59 7.165 11.941 -9.956 1.00 32.21 H new ATOM 0 HD23 LEU A 59 5.654 11.007 -10.067 1.00 32.21 H new ATOM 998 N ASP A 60 8.035 7.038 -8.134 1.00 33.22 N ATOM 999 CA ASP A 60 8.920 5.880 -8.062 1.00 11.11 C ATOM 1000 C ASP A 60 8.379 4.844 -7.083 1.00 40.34 C ATOM 1001 O ASP A 60 8.345 5.075 -5.875 1.00 61.22 O ATOM 1002 CB ASP A 60 10.326 6.312 -7.644 1.00 21.44 C ATOM 1003 CG ASP A 60 11.189 6.700 -8.827 1.00 53.42 C ATOM 1004 OD1 ASP A 60 12.306 6.155 -8.952 1.00 12.11 O ATOM 1005 OD2 ASP A 60 10.748 7.549 -9.629 1.00 33.31 O ATOM 0 H ASP A 60 7.716 7.382 -7.228 1.00 33.22 H new ATOM 0 HA ASP A 60 8.968 5.427 -9.052 1.00 11.11 H new ATOM 0 HB2 ASP A 60 10.254 7.156 -6.958 1.00 21.44 H new ATOM 0 HB3 ASP A 60 10.806 5.499 -7.100 1.00 21.44 H new ATOM 1011 N ASP A 61 7.957 3.701 -7.613 1.00 13.20 N ATOM 1012 CA ASP A 61 7.418 2.628 -6.785 1.00 50.43 C ATOM 1013 C ASP A 61 8.239 1.352 -6.948 1.00 64.04 C ATOM 1014 O ASP A 61 7.843 0.434 -7.668 1.00 24.12 O ATOM 1015 CB ASP A 61 5.958 2.358 -7.150 1.00 14.22 C ATOM 1016 CG ASP A 61 5.681 2.567 -8.626 1.00 52.21 C ATOM 1017 OD1 ASP A 61 5.638 3.737 -9.062 1.00 14.24 O ATOM 1018 OD2 ASP A 61 5.509 1.561 -9.346 1.00 15.54 O ATOM 0 H ASP A 61 7.978 3.494 -8.611 1.00 13.20 H new ATOM 0 HA ASP A 61 7.472 2.944 -5.743 1.00 50.43 H new ATOM 0 HB2 ASP A 61 5.702 1.334 -6.877 1.00 14.22 H new ATOM 0 HB3 ASP A 61 5.313 3.015 -6.566 1.00 14.22 H new ATOM 1024 N SER A 62 9.383 1.301 -6.274 1.00 21.54 N ATOM 1025 CA SER A 62 10.263 0.140 -6.347 1.00 33.02 C ATOM 1026 C SER A 62 10.277 -0.614 -5.021 1.00 3.31 C ATOM 1027 O SER A 62 10.101 -1.832 -4.984 1.00 43.24 O ATOM 1028 CB SER A 62 11.683 0.572 -6.717 1.00 70.11 C ATOM 1029 OG SER A 62 11.772 0.909 -8.090 1.00 73.14 O ATOM 0 H SER A 62 9.723 2.050 -5.671 1.00 21.54 H new ATOM 0 HA SER A 62 9.882 -0.527 -7.120 1.00 33.02 H new ATOM 0 HB2 SER A 62 11.976 1.428 -6.109 1.00 70.11 H new ATOM 0 HB3 SER A 62 12.382 -0.233 -6.491 1.00 70.11 H new ATOM 0 HG SER A 62 12.689 1.183 -8.301 1.00 73.14 H new ATOM 1035 N LYS A 63 10.489 0.118 -3.933 1.00 54.10 N ATOM 1036 CA LYS A 63 10.525 -0.478 -2.604 1.00 64.31 C ATOM 1037 C LYS A 63 9.126 -0.560 -2.004 1.00 3.24 C ATOM 1038 O LYS A 63 8.154 -0.096 -2.603 1.00 4.15 O ATOM 1039 CB LYS A 63 11.439 0.334 -1.682 1.00 42.10 C ATOM 1040 CG LYS A 63 12.893 -0.105 -1.725 1.00 75.12 C ATOM 1041 CD LYS A 63 13.830 1.034 -1.366 1.00 24.14 C ATOM 1042 CE LYS A 63 15.281 0.675 -1.656 1.00 10.13 C ATOM 1043 NZ LYS A 63 15.952 0.079 -0.468 1.00 63.30 N ATOM 0 H LYS A 63 10.639 1.127 -3.946 1.00 54.10 H new ATOM 0 HA LYS A 63 10.920 -1.490 -2.699 1.00 64.31 H new ATOM 0 HB2 LYS A 63 11.378 1.386 -1.959 1.00 42.10 H new ATOM 0 HB3 LYS A 63 11.074 0.252 -0.658 1.00 42.10 H new ATOM 0 HG2 LYS A 63 13.044 -0.934 -1.033 1.00 75.12 H new ATOM 0 HG3 LYS A 63 13.133 -0.474 -2.722 1.00 75.12 H new ATOM 0 HD2 LYS A 63 13.555 1.925 -1.931 1.00 24.14 H new ATOM 0 HD3 LYS A 63 13.719 1.279 -0.310 1.00 24.14 H new ATOM 0 HE2 LYS A 63 15.322 -0.029 -2.487 1.00 10.13 H new ATOM 0 HE3 LYS A 63 15.821 1.569 -1.968 1.00 10.13 H new ATOM 0 HZ1 LYS A 63 16.938 -0.152 -0.706 1.00 63.30 H new ATOM 0 HZ2 LYS A 63 15.935 0.760 0.318 1.00 63.30 H new ATOM 0 HZ3 LYS A 63 15.452 -0.788 -0.185 1.00 63.30 H new ATOM 1057 N THR A 64 9.028 -1.152 -0.818 1.00 32.10 N ATOM 1058 CA THR A 64 7.746 -1.293 -0.138 1.00 61.04 C ATOM 1059 C THR A 64 6.967 0.016 -0.156 1.00 32.24 C ATOM 1060 O THR A 64 5.745 0.020 -0.307 1.00 51.25 O ATOM 1061 CB THR A 64 7.932 -1.748 1.322 1.00 73.21 C ATOM 1062 OG1 THR A 64 6.763 -1.433 2.086 1.00 24.15 O ATOM 1063 CG2 THR A 64 9.148 -1.079 1.945 1.00 23.43 C ATOM 0 H THR A 64 9.821 -1.542 -0.308 1.00 32.10 H new ATOM 0 HA THR A 64 7.183 -2.054 -0.679 1.00 61.04 H new ATOM 0 HB THR A 64 8.088 -2.827 1.327 1.00 73.21 H new ATOM 0 HG1 THR A 64 5.967 -1.757 1.615 1.00 24.15 H new ATOM 0 HG21 THR A 64 9.260 -1.415 2.976 1.00 23.43 H new ATOM 0 HG22 THR A 64 10.040 -1.345 1.378 1.00 23.43 H new ATOM 0 HG23 THR A 64 9.017 0.003 1.928 1.00 23.43 H new ATOM 1071 N TRP A 65 7.680 1.126 0.000 1.00 53.22 N ATOM 1072 CA TRP A 65 7.053 2.442 0.000 1.00 23.12 C ATOM 1073 C TRP A 65 7.137 3.086 -1.378 1.00 42.25 C ATOM 1074 O TRP A 65 8.168 3.010 -2.047 1.00 51.12 O ATOM 1075 CB TRP A 65 7.719 3.345 1.040 1.00 22.25 C ATOM 1076 CG TRP A 65 7.211 3.123 2.433 1.00 10.42 C ATOM 1077 CD1 TRP A 65 7.367 1.999 3.191 1.00 22.55 C ATOM 1078 CD2 TRP A 65 6.465 4.048 3.231 1.00 12.44 C ATOM 1079 NE1 TRP A 65 6.762 2.168 4.414 1.00 12.54 N ATOM 1080 CE2 TRP A 65 6.202 3.417 4.463 1.00 2.00 C ATOM 1081 CE3 TRP A 65 5.994 5.348 3.025 1.00 51.22 C ATOM 1082 CZ2 TRP A 65 5.489 4.043 5.482 1.00 31.23 C ATOM 1083 CZ3 TRP A 65 5.286 5.968 4.037 1.00 31.24 C ATOM 1084 CH2 TRP A 65 5.039 5.316 5.253 1.00 63.13 C ATOM 0 H TRP A 65 8.692 1.140 0.128 1.00 53.22 H new ATOM 0 HA TRP A 65 6.001 2.316 0.257 1.00 23.12 H new ATOM 0 HB2 TRP A 65 8.795 3.175 1.022 1.00 22.25 H new ATOM 0 HB3 TRP A 65 7.556 4.387 0.763 1.00 22.25 H new ATOM 0 HD1 TRP A 65 7.889 1.107 2.876 1.00 22.55 H new ATOM 0 HE1 TRP A 65 6.735 1.476 5.163 1.00 12.54 H new ATOM 0 HE3 TRP A 65 6.180 5.859 2.092 1.00 51.22 H new ATOM 0 HZ2 TRP A 65 5.298 3.542 6.420 1.00 31.23 H new ATOM 0 HZ3 TRP A 65 4.917 6.972 3.888 1.00 31.24 H new ATOM 0 HH2 TRP A 65 4.483 5.828 6.025 1.00 63.13 H new ATOM 1095 N TRP A 66 6.048 3.719 -1.798 1.00 75.31 N ATOM 1096 CA TRP A 66 5.999 4.377 -3.099 1.00 44.04 C ATOM 1097 C TRP A 66 5.902 5.889 -2.942 1.00 35.15 C ATOM 1098 O TRP A 66 5.373 6.386 -1.946 1.00 51.54 O ATOM 1099 CB TRP A 66 4.810 3.859 -3.912 1.00 25.33 C ATOM 1100 CG TRP A 66 4.845 2.378 -4.138 1.00 3.20 C ATOM 1101 CD1 TRP A 66 5.900 1.540 -3.914 1.00 74.45 C ATOM 1102 CD2 TRP A 66 3.779 1.562 -4.635 1.00 63.10 C ATOM 1103 NE1 TRP A 66 5.554 0.250 -4.242 1.00 14.21 N ATOM 1104 CE2 TRP A 66 4.258 0.238 -4.686 1.00 60.33 C ATOM 1105 CE3 TRP A 66 2.468 1.819 -5.041 1.00 74.31 C ATOM 1106 CZ2 TRP A 66 3.469 -0.822 -5.128 1.00 64.50 C ATOM 1107 CZ3 TRP A 66 1.686 0.767 -5.478 1.00 51.43 C ATOM 1108 CH2 TRP A 66 2.189 -0.541 -5.518 1.00 32.04 C ATOM 0 H TRP A 66 5.187 3.791 -1.257 1.00 75.31 H new ATOM 0 HA TRP A 66 6.922 4.145 -3.630 1.00 44.04 H new ATOM 0 HB2 TRP A 66 3.886 4.119 -3.396 1.00 25.33 H new ATOM 0 HB3 TRP A 66 4.790 4.366 -4.877 1.00 25.33 H new ATOM 0 HD1 TRP A 66 6.864 1.845 -3.535 1.00 74.45 H new ATOM 0 HE1 TRP A 66 6.163 -0.565 -4.167 1.00 14.21 H new ATOM 0 HE3 TRP A 66 2.072 2.823 -5.014 1.00 74.31 H new ATOM 0 HZ2 TRP A 66 3.855 -1.830 -5.161 1.00 64.50 H new ATOM 0 HZ3 TRP A 66 0.671 0.955 -5.794 1.00 51.43 H new ATOM 0 HH2 TRP A 66 1.553 -1.342 -5.864 1.00 32.04 H new ATOM 1119 N ARG A 67 6.416 6.618 -3.928 1.00 72.33 N ATOM 1120 CA ARG A 67 6.388 8.074 -3.897 1.00 2.23 C ATOM 1121 C ARG A 67 5.473 8.624 -4.987 1.00 62.41 C ATOM 1122 O ARG A 67 5.633 8.306 -6.165 1.00 25.22 O ATOM 1123 CB ARG A 67 7.800 8.637 -4.069 1.00 44.31 C ATOM 1124 CG ARG A 67 7.829 10.123 -4.385 1.00 65.20 C ATOM 1125 CD ARG A 67 9.102 10.777 -3.870 1.00 4.44 C ATOM 1126 NE ARG A 67 10.296 10.035 -4.265 1.00 0.13 N ATOM 1127 CZ ARG A 67 11.531 10.405 -3.943 1.00 5.33 C ATOM 1128 NH1 ARG A 67 11.733 11.503 -3.227 1.00 72.51 N ATOM 1129 NH2 ARG A 67 12.566 9.677 -4.339 1.00 44.21 N ATOM 0 H ARG A 67 6.857 6.223 -4.758 1.00 72.33 H new ATOM 0 HA ARG A 67 5.997 8.384 -2.928 1.00 2.23 H new ATOM 0 HB2 ARG A 67 8.367 8.457 -3.156 1.00 44.31 H new ATOM 0 HB3 ARG A 67 8.303 8.094 -4.869 1.00 44.31 H new ATOM 0 HG2 ARG A 67 7.754 10.269 -5.463 1.00 65.20 H new ATOM 0 HG3 ARG A 67 6.962 10.608 -3.937 1.00 65.20 H new ATOM 0 HD2 ARG A 67 9.166 11.796 -4.251 1.00 4.44 H new ATOM 0 HD3 ARG A 67 9.060 10.845 -2.783 1.00 4.44 H new ATOM 0 HE ARG A 67 10.176 9.187 -4.818 1.00 0.13 H new ATOM 0 HH11 ARG A 67 10.939 12.066 -2.922 1.00 72.51 H new ATOM 0 HH12 ARG A 67 12.682 11.784 -2.981 1.00 72.51 H new ATOM 0 HH21 ARG A 67 12.414 8.833 -4.891 1.00 44.21 H new ATOM 0 HH22 ARG A 67 13.514 9.961 -4.092 1.00 44.21 H new ATOM 1143 N VAL A 68 4.512 9.451 -4.586 1.00 23.02 N ATOM 1144 CA VAL A 68 3.570 10.045 -5.528 1.00 64.14 C ATOM 1145 C VAL A 68 3.463 11.551 -5.320 1.00 2.42 C ATOM 1146 O VAL A 68 3.992 12.093 -4.350 1.00 31.35 O ATOM 1147 CB VAL A 68 2.171 9.416 -5.395 1.00 3.23 C ATOM 1148 CG1 VAL A 68 2.223 7.927 -5.697 1.00 13.33 C ATOM 1149 CG2 VAL A 68 1.605 9.667 -4.005 1.00 33.13 C ATOM 0 H VAL A 68 4.365 9.725 -3.614 1.00 23.02 H new ATOM 0 HA VAL A 68 3.954 9.846 -6.529 1.00 64.14 H new ATOM 0 HB VAL A 68 1.510 9.886 -6.123 1.00 3.23 H new ATOM 0 HG11 VAL A 68 1.225 7.501 -5.598 1.00 13.33 H new ATOM 0 HG12 VAL A 68 2.583 7.774 -6.714 1.00 13.33 H new ATOM 0 HG13 VAL A 68 2.898 7.437 -4.996 1.00 13.33 H new ATOM 0 HG21 VAL A 68 0.616 9.216 -3.928 1.00 33.13 H new ATOM 0 HG22 VAL A 68 2.265 9.225 -3.258 1.00 33.13 H new ATOM 0 HG23 VAL A 68 1.529 10.740 -3.832 1.00 33.13 H new ATOM 1159 N ARG A 69 2.773 12.222 -6.237 1.00 72.33 N ATOM 1160 CA ARG A 69 2.595 13.666 -6.155 1.00 64.52 C ATOM 1161 C ARG A 69 1.114 14.036 -6.204 1.00 44.35 C ATOM 1162 O ARG A 69 0.331 13.406 -6.914 1.00 24.33 O ATOM 1163 CB ARG A 69 3.343 14.359 -7.294 1.00 63.05 C ATOM 1164 CG ARG A 69 3.286 15.876 -7.226 1.00 10.33 C ATOM 1165 CD ARG A 69 2.673 16.467 -8.487 1.00 71.52 C ATOM 1166 NE ARG A 69 3.688 16.982 -9.400 1.00 1.41 N ATOM 1167 CZ ARG A 69 3.424 17.818 -10.398 1.00 2.21 C ATOM 1168 NH1 ARG A 69 2.182 18.231 -10.609 1.00 31.23 N ATOM 1169 NH2 ARG A 69 4.403 18.242 -11.188 1.00 32.43 N ATOM 0 H ARG A 69 2.328 11.788 -7.046 1.00 72.33 H new ATOM 0 HA ARG A 69 3.004 14.003 -5.203 1.00 64.52 H new ATOM 0 HB2 ARG A 69 4.386 14.042 -7.278 1.00 63.05 H new ATOM 0 HB3 ARG A 69 2.924 14.030 -8.245 1.00 63.05 H new ATOM 0 HG2 ARG A 69 2.701 16.181 -6.358 1.00 10.33 H new ATOM 0 HG3 ARG A 69 4.292 16.273 -7.088 1.00 10.33 H new ATOM 0 HD2 ARG A 69 2.083 15.704 -8.995 1.00 71.52 H new ATOM 0 HD3 ARG A 69 1.989 17.271 -8.215 1.00 71.52 H new ATOM 0 HE ARG A 69 4.654 16.684 -9.264 1.00 1.41 H new ATOM 0 HH11 ARG A 69 1.427 17.907 -10.004 1.00 31.23 H new ATOM 0 HH12 ARG A 69 1.981 18.873 -11.376 1.00 31.23 H new ATOM 0 HH21 ARG A 69 5.360 17.926 -11.029 1.00 32.43 H new ATOM 0 HH22 ARG A 69 4.199 18.884 -11.954 1.00 32.43 H new ATOM 1183 N ASN A 70 0.740 15.059 -5.445 1.00 4.34 N ATOM 1184 CA ASN A 70 -0.645 15.512 -5.401 1.00 41.52 C ATOM 1185 C ASN A 70 -0.853 16.715 -6.317 1.00 31.32 C ATOM 1186 O ASN A 70 0.075 17.170 -6.984 1.00 64.03 O ATOM 1187 CB ASN A 70 -1.041 15.873 -3.968 1.00 14.45 C ATOM 1188 CG ASN A 70 0.107 16.484 -3.188 1.00 74.42 C ATOM 1189 OD1 ASN A 70 1.131 15.838 -2.964 1.00 43.12 O ATOM 1190 ND2 ASN A 70 -0.059 17.732 -2.768 1.00 14.41 N ATOM 0 H ASN A 70 1.377 15.591 -4.851 1.00 4.34 H new ATOM 0 HA ASN A 70 -1.279 14.697 -5.751 1.00 41.52 H new ATOM 0 HB2 ASN A 70 -1.875 16.574 -3.990 1.00 14.45 H new ATOM 0 HB3 ASN A 70 -1.390 14.978 -3.454 1.00 14.45 H new ATOM 0 HD21 ASN A 70 0.679 18.194 -2.236 1.00 14.41 H new ATOM 0 HD22 ASN A 70 -0.925 18.229 -2.977 1.00 14.41 H new ATOM 1197 N ALA A 71 -2.080 17.227 -6.343 1.00 24.00 N ATOM 1198 CA ALA A 71 -2.410 18.379 -7.173 1.00 53.21 C ATOM 1199 C ALA A 71 -1.691 19.632 -6.685 1.00 3.40 C ATOM 1200 O ALA A 71 -1.646 20.646 -7.383 1.00 74.22 O ATOM 1201 CB ALA A 71 -3.915 18.604 -7.191 1.00 60.10 C ATOM 0 H ALA A 71 -2.861 16.862 -5.799 1.00 24.00 H new ATOM 0 HA ALA A 71 -2.073 18.171 -8.189 1.00 53.21 H new ATOM 0 HB1 ALA A 71 -4.146 19.467 -7.815 1.00 60.10 H new ATOM 0 HB2 ALA A 71 -4.410 17.721 -7.595 1.00 60.10 H new ATOM 0 HB3 ALA A 71 -4.268 18.785 -6.176 1.00 60.10 H new ATOM 1207 N ALA A 72 -1.129 19.556 -5.483 1.00 44.44 N ATOM 1208 CA ALA A 72 -0.411 20.684 -4.904 1.00 22.23 C ATOM 1209 C ALA A 72 1.042 20.709 -5.368 1.00 74.45 C ATOM 1210 O ALA A 72 1.850 21.486 -4.864 1.00 42.12 O ATOM 1211 CB ALA A 72 -0.480 20.628 -3.384 1.00 11.31 C ATOM 0 H ALA A 72 -1.157 18.725 -4.892 1.00 44.44 H new ATOM 0 HA ALA A 72 -0.890 21.601 -5.247 1.00 22.23 H new ATOM 0 HB1 ALA A 72 0.060 21.476 -2.964 1.00 11.31 H new ATOM 0 HB2 ALA A 72 -1.522 20.667 -3.065 1.00 11.31 H new ATOM 0 HB3 ALA A 72 -0.028 19.700 -3.033 1.00 11.31 H new ATOM 1217 N ASN A 73 1.364 19.851 -6.331 1.00 0.32 N ATOM 1218 CA ASN A 73 2.720 19.773 -6.862 1.00 2.00 C ATOM 1219 C ASN A 73 3.698 19.307 -5.789 1.00 54.14 C ATOM 1220 O ASN A 73 4.913 19.440 -5.943 1.00 64.22 O ATOM 1221 CB ASN A 73 3.154 21.135 -7.408 1.00 20.00 C ATOM 1222 CG ASN A 73 1.998 21.919 -7.995 1.00 33.32 C ATOM 1223 OD1 ASN A 73 1.376 21.496 -8.970 1.00 64.54 O ATOM 1224 ND2 ASN A 73 1.701 23.070 -7.400 1.00 14.45 N ATOM 0 H ASN A 73 0.705 19.201 -6.759 1.00 0.32 H new ATOM 0 HA ASN A 73 2.725 19.045 -7.673 1.00 2.00 H new ATOM 0 HB2 ASN A 73 3.613 21.715 -6.607 1.00 20.00 H new ATOM 0 HB3 ASN A 73 3.916 20.990 -8.173 1.00 20.00 H new ATOM 0 HD21 ASN A 73 0.931 23.641 -7.749 1.00 14.45 H new ATOM 0 HD22 ASN A 73 2.243 23.382 -6.594 1.00 14.45 H new ATOM 1231 N ARG A 74 3.162 18.758 -4.705 1.00 32.43 N ATOM 1232 CA ARG A 74 3.988 18.271 -3.606 1.00 30.03 C ATOM 1233 C ARG A 74 4.267 16.779 -3.755 1.00 54.11 C ATOM 1234 O ARG A 74 3.409 16.017 -4.205 1.00 70.31 O ATOM 1235 CB ARG A 74 3.301 18.540 -2.266 1.00 0.45 C ATOM 1236 CG ARG A 74 4.254 18.533 -1.082 1.00 21.45 C ATOM 1237 CD ARG A 74 4.575 19.944 -0.615 1.00 24.21 C ATOM 1238 NE ARG A 74 5.774 20.473 -1.260 1.00 41.50 N ATOM 1239 CZ ARG A 74 6.157 21.742 -1.172 1.00 73.33 C ATOM 1240 NH1 ARG A 74 5.439 22.606 -0.469 1.00 10.44 N ATOM 1241 NH2 ARG A 74 7.260 22.148 -1.788 1.00 13.12 N ATOM 0 H ARG A 74 2.159 18.639 -4.563 1.00 32.43 H new ATOM 0 HA ARG A 74 4.938 18.805 -3.634 1.00 30.03 H new ATOM 0 HB2 ARG A 74 2.799 19.506 -2.312 1.00 0.45 H new ATOM 0 HB3 ARG A 74 2.529 17.787 -2.105 1.00 0.45 H new ATOM 0 HG2 ARG A 74 3.811 17.969 -0.261 1.00 21.45 H new ATOM 0 HG3 ARG A 74 5.176 18.022 -1.359 1.00 21.45 H new ATOM 0 HD2 ARG A 74 3.730 20.598 -0.829 1.00 24.21 H new ATOM 0 HD3 ARG A 74 4.714 19.946 0.466 1.00 24.21 H new ATOM 0 HE ARG A 74 6.349 19.833 -1.808 1.00 41.50 H new ATOM 0 HH11 ARG A 74 4.591 22.297 0.006 1.00 10.44 H new ATOM 0 HH12 ARG A 74 5.735 23.580 -0.403 1.00 10.44 H new ATOM 0 HH21 ARG A 74 7.815 21.485 -2.330 1.00 13.12 H new ATOM 0 HH22 ARG A 74 7.553 23.123 -1.720 1.00 13.12 H new ATOM 1255 N THR A 75 5.472 16.367 -3.377 1.00 63.34 N ATOM 1256 CA THR A 75 5.866 14.966 -3.469 1.00 72.25 C ATOM 1257 C THR A 75 6.201 14.397 -2.095 1.00 45.24 C ATOM 1258 O THR A 75 7.026 14.949 -1.368 1.00 12.43 O ATOM 1259 CB THR A 75 7.081 14.785 -4.397 1.00 55.14 C ATOM 1260 OG1 THR A 75 8.094 15.742 -4.072 1.00 64.52 O ATOM 1261 CG2 THR A 75 6.677 14.944 -5.855 1.00 55.51 C ATOM 0 H THR A 75 6.193 16.984 -3.004 1.00 63.34 H new ATOM 0 HA THR A 75 5.016 14.425 -3.885 1.00 72.25 H new ATOM 0 HB THR A 75 7.473 13.778 -4.252 1.00 55.14 H new ATOM 0 HG1 THR A 75 8.227 15.761 -3.101 1.00 64.52 H new ATOM 0 HG21 THR A 75 7.552 14.812 -6.491 1.00 55.51 H new ATOM 0 HG22 THR A 75 5.927 14.195 -6.109 1.00 55.51 H new ATOM 0 HG23 THR A 75 6.262 15.940 -6.011 1.00 55.51 H new ATOM 1269 N GLY A 76 5.556 13.288 -1.746 1.00 63.14 N ATOM 1270 CA GLY A 76 5.801 12.663 -0.460 1.00 64.44 C ATOM 1271 C GLY A 76 5.911 11.154 -0.561 1.00 64.44 C ATOM 1272 O GLY A 76 5.985 10.601 -1.659 1.00 33.01 O ATOM 0 H GLY A 76 4.869 12.812 -2.330 1.00 63.14 H new ATOM 0 HA2 GLY A 76 6.721 13.064 -0.034 1.00 64.44 H new ATOM 0 HA3 GLY A 76 4.994 12.920 0.226 1.00 64.44 H new ATOM 1276 N TYR A 77 5.925 10.484 0.587 1.00 34.23 N ATOM 1277 CA TYR A 77 6.031 9.032 0.624 1.00 53.05 C ATOM 1278 C TYR A 77 4.787 8.409 1.252 1.00 22.54 C ATOM 1279 O TYR A 77 4.118 9.030 2.080 1.00 42.31 O ATOM 1280 CB TYR A 77 7.275 8.609 1.404 1.00 3.50 C ATOM 1281 CG TYR A 77 8.540 8.612 0.575 1.00 72.52 C ATOM 1282 CD1 TYR A 77 8.917 7.492 -0.156 1.00 74.24 C ATOM 1283 CD2 TYR A 77 9.358 9.734 0.523 1.00 75.41 C ATOM 1284 CE1 TYR A 77 10.071 7.489 -0.915 1.00 10.22 C ATOM 1285 CE2 TYR A 77 10.513 9.740 -0.235 1.00 74.40 C ATOM 1286 CZ TYR A 77 10.865 8.616 -0.952 1.00 3.10 C ATOM 1287 OH TYR A 77 12.016 8.618 -1.706 1.00 51.41 O ATOM 0 H TYR A 77 5.864 10.925 1.505 1.00 34.23 H new ATOM 0 HA TYR A 77 6.115 8.675 -0.402 1.00 53.05 H new ATOM 0 HB2 TYR A 77 7.406 9.279 2.254 1.00 3.50 H new ATOM 0 HB3 TYR A 77 7.118 7.609 1.808 1.00 3.50 H new ATOM 0 HD1 TYR A 77 8.297 6.608 -0.130 1.00 74.24 H new ATOM 0 HD2 TYR A 77 9.086 10.616 1.084 1.00 75.41 H new ATOM 0 HE1 TYR A 77 10.350 6.609 -1.476 1.00 10.22 H new ATOM 0 HE2 TYR A 77 11.137 10.621 -0.266 1.00 74.40 H new ATOM 0 HH TYR A 77 11.904 8.021 -2.475 1.00 51.41 H new ATOM 1297 N VAL A 78 4.482 7.178 0.856 1.00 65.10 N ATOM 1298 CA VAL A 78 3.322 6.469 1.381 1.00 51.13 C ATOM 1299 C VAL A 78 3.500 4.959 1.265 1.00 22.42 C ATOM 1300 O VAL A 78 4.126 4.452 0.335 1.00 2.32 O ATOM 1301 CB VAL A 78 2.034 6.880 0.644 1.00 42.01 C ATOM 1302 CG1 VAL A 78 1.538 8.227 1.146 1.00 50.00 C ATOM 1303 CG2 VAL A 78 2.268 6.916 -0.859 1.00 72.05 C ATOM 0 H VAL A 78 5.024 6.650 0.172 1.00 65.10 H new ATOM 0 HA VAL A 78 3.234 6.741 2.433 1.00 51.13 H new ATOM 0 HB VAL A 78 1.265 6.136 0.851 1.00 42.01 H new ATOM 0 HG11 VAL A 78 0.627 8.501 0.614 1.00 50.00 H new ATOM 0 HG12 VAL A 78 1.329 8.163 2.214 1.00 50.00 H new ATOM 0 HG13 VAL A 78 2.302 8.984 0.971 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.347 7.208 -1.364 1.00 72.05 H new ATOM 0 HG22 VAL A 78 3.052 7.638 -1.088 1.00 72.05 H new ATOM 0 HG23 VAL A 78 2.573 5.928 -1.204 1.00 72.05 H new ATOM 1313 N PRO A 79 2.938 4.222 2.235 1.00 12.20 N ATOM 1314 CA PRO A 79 3.021 2.759 2.265 1.00 42.51 C ATOM 1315 C PRO A 79 2.199 2.109 1.157 1.00 73.22 C ATOM 1316 O PRO A 79 0.996 2.346 1.044 1.00 22.23 O ATOM 1317 CB PRO A 79 2.449 2.399 3.638 1.00 15.40 C ATOM 1318 CG PRO A 79 1.551 3.535 3.984 1.00 12.44 C ATOM 1319 CD PRO A 79 2.179 4.760 3.376 1.00 50.01 C ATOM 0 HA PRO A 79 4.040 2.405 2.107 1.00 42.51 H new ATOM 0 HB2 PRO A 79 1.901 1.457 3.604 1.00 15.40 H new ATOM 0 HB3 PRO A 79 3.241 2.281 4.378 1.00 15.40 H new ATOM 0 HG2 PRO A 79 0.548 3.374 3.589 1.00 12.44 H new ATOM 0 HG3 PRO A 79 1.455 3.641 5.065 1.00 12.44 H new ATOM 0 HD2 PRO A 79 1.427 5.480 3.055 1.00 50.01 H new ATOM 0 HD3 PRO A 79 2.829 5.273 4.085 1.00 50.01 H new ATOM 1327 N SER A 80 2.854 1.288 0.342 1.00 0.44 N ATOM 1328 CA SER A 80 2.183 0.607 -0.759 1.00 64.30 C ATOM 1329 C SER A 80 1.053 -0.278 -0.241 1.00 20.12 C ATOM 1330 O SER A 80 0.162 -0.669 -0.995 1.00 2.52 O ATOM 1331 CB SER A 80 3.185 -0.236 -1.550 1.00 15.33 C ATOM 1332 OG SER A 80 3.612 -1.360 -0.799 1.00 52.10 O ATOM 0 H SER A 80 3.849 1.078 0.424 1.00 0.44 H new ATOM 0 HA SER A 80 1.756 1.364 -1.417 1.00 64.30 H new ATOM 0 HB2 SER A 80 2.728 -0.570 -2.482 1.00 15.33 H new ATOM 0 HB3 SER A 80 4.047 0.375 -1.818 1.00 15.33 H new ATOM 0 HG SER A 80 4.488 -1.174 -0.401 1.00 52.10 H new ATOM 1338 N ASN A 81 1.098 -0.589 1.050 1.00 52.10 N ATOM 1339 CA ASN A 81 0.077 -1.428 1.669 1.00 25.40 C ATOM 1340 C ASN A 81 -1.249 -0.681 1.778 1.00 64.52 C ATOM 1341 O ASN A 81 -2.320 -1.283 1.707 1.00 72.43 O ATOM 1342 CB ASN A 81 0.535 -1.883 3.056 1.00 71.54 C ATOM 1343 CG ASN A 81 1.460 -3.083 2.996 1.00 13.11 C ATOM 1344 OD1 ASN A 81 1.944 -3.454 1.925 1.00 34.41 O ATOM 1345 ND2 ASN A 81 1.710 -3.696 4.146 1.00 64.43 N ATOM 0 H ASN A 81 1.829 -0.274 1.688 1.00 52.10 H new ATOM 0 HA ASN A 81 -0.071 -2.304 1.037 1.00 25.40 H new ATOM 0 HB2 ASN A 81 1.045 -1.059 3.555 1.00 71.54 H new ATOM 0 HB3 ASN A 81 -0.338 -2.131 3.660 1.00 71.54 H new ATOM 0 HD21 ASN A 81 2.325 -4.509 4.167 1.00 64.43 H new ATOM 0 HD22 ASN A 81 1.287 -3.354 5.009 1.00 64.43 H new ATOM 1352 N TYR A 82 -1.168 0.634 1.951 1.00 61.15 N ATOM 1353 CA TYR A 82 -2.361 1.463 2.071 1.00 61.40 C ATOM 1354 C TYR A 82 -2.742 2.069 0.725 1.00 2.52 C ATOM 1355 O TYR A 82 -3.712 2.820 0.620 1.00 72.41 O ATOM 1356 CB TYR A 82 -2.133 2.573 3.098 1.00 34.33 C ATOM 1357 CG TYR A 82 -1.929 2.063 4.507 1.00 5.03 C ATOM 1358 CD1 TYR A 82 -0.766 1.392 4.861 1.00 64.13 C ATOM 1359 CD2 TYR A 82 -2.898 2.254 5.484 1.00 52.51 C ATOM 1360 CE1 TYR A 82 -0.574 0.923 6.147 1.00 2.33 C ATOM 1361 CE2 TYR A 82 -2.714 1.791 6.773 1.00 55.52 C ATOM 1362 CZ TYR A 82 -1.551 1.126 7.098 1.00 62.41 C ATOM 1363 OH TYR A 82 -1.364 0.661 8.380 1.00 3.15 O ATOM 0 H TYR A 82 -0.289 1.148 2.011 1.00 61.15 H new ATOM 0 HA TYR A 82 -3.181 0.829 2.407 1.00 61.40 H new ATOM 0 HB2 TYR A 82 -1.261 3.156 2.802 1.00 34.33 H new ATOM 0 HB3 TYR A 82 -2.988 3.249 3.086 1.00 34.33 H new ATOM 0 HD1 TYR A 82 0.002 1.234 4.118 1.00 64.13 H new ATOM 0 HD2 TYR A 82 -3.811 2.773 5.232 1.00 52.51 H new ATOM 0 HE1 TYR A 82 0.336 0.401 6.405 1.00 2.33 H new ATOM 0 HE2 TYR A 82 -3.477 1.949 7.521 1.00 55.52 H new ATOM 0 HH TYR A 82 -1.766 -0.228 8.467 1.00 3.15 H new ATOM 1373 N VAL A 83 -1.971 1.737 -0.306 1.00 23.31 N ATOM 1374 CA VAL A 83 -2.227 2.246 -1.647 1.00 41.31 C ATOM 1375 C VAL A 83 -2.472 1.107 -2.630 1.00 43.10 C ATOM 1376 O VAL A 83 -2.094 -0.036 -2.376 1.00 13.11 O ATOM 1377 CB VAL A 83 -1.051 3.104 -2.155 1.00 51.11 C ATOM 1378 CG1 VAL A 83 -0.090 2.260 -2.977 1.00 44.02 C ATOM 1379 CG2 VAL A 83 -1.565 4.284 -2.967 1.00 34.24 C ATOM 0 H VAL A 83 -1.164 1.117 -0.237 1.00 23.31 H new ATOM 0 HA VAL A 83 -3.121 2.867 -1.585 1.00 41.31 H new ATOM 0 HB VAL A 83 -0.509 3.493 -1.293 1.00 51.11 H new ATOM 0 HG11 VAL A 83 0.733 2.883 -3.327 1.00 44.02 H new ATOM 0 HG12 VAL A 83 0.303 1.452 -2.360 1.00 44.02 H new ATOM 0 HG13 VAL A 83 -0.616 1.840 -3.834 1.00 44.02 H new ATOM 0 HG21 VAL A 83 -0.722 4.879 -3.318 1.00 34.24 H new ATOM 0 HG22 VAL A 83 -2.132 3.917 -3.823 1.00 34.24 H new ATOM 0 HG23 VAL A 83 -2.210 4.902 -2.343 1.00 34.24 H new ATOM 1389 N GLU A 84 -3.107 1.428 -3.753 1.00 11.40 N ATOM 1390 CA GLU A 84 -3.403 0.431 -4.775 1.00 22.32 C ATOM 1391 C GLU A 84 -3.680 1.096 -6.120 1.00 72.53 C ATOM 1392 O GLU A 84 -4.685 1.787 -6.287 1.00 71.43 O ATOM 1393 CB GLU A 84 -4.604 -0.418 -4.355 1.00 62.13 C ATOM 1394 CG GLU A 84 -5.119 -1.331 -5.457 1.00 72.21 C ATOM 1395 CD GLU A 84 -5.396 -2.738 -4.967 1.00 65.14 C ATOM 1396 OE1 GLU A 84 -4.624 -3.235 -4.119 1.00 74.53 O ATOM 1397 OE2 GLU A 84 -6.384 -3.345 -5.432 1.00 44.20 O ATOM 0 H GLU A 84 -3.426 2.370 -3.978 1.00 11.40 H new ATOM 0 HA GLU A 84 -2.531 -0.214 -4.882 1.00 22.32 H new ATOM 0 HB2 GLU A 84 -4.326 -1.024 -3.493 1.00 62.13 H new ATOM 0 HB3 GLU A 84 -5.410 0.242 -4.035 1.00 62.13 H new ATOM 0 HG2 GLU A 84 -6.033 -0.909 -5.875 1.00 72.21 H new ATOM 0 HG3 GLU A 84 -4.387 -1.369 -6.264 1.00 72.21 H new ATOM 1404 N ARG A 85 -2.782 0.880 -7.076 1.00 2.21 N ATOM 1405 CA ARG A 85 -2.928 1.459 -8.406 1.00 32.32 C ATOM 1406 C ARG A 85 -3.979 0.704 -9.215 1.00 34.11 C ATOM 1407 O ARG A 85 -4.328 -0.432 -8.893 1.00 5.32 O ATOM 1408 CB ARG A 85 -1.589 1.439 -9.144 1.00 1.31 C ATOM 1409 CG ARG A 85 -1.006 0.045 -9.309 1.00 40.22 C ATOM 1410 CD ARG A 85 -1.541 -0.638 -10.559 1.00 65.22 C ATOM 1411 NE ARG A 85 -2.310 -1.837 -10.240 1.00 33.40 N ATOM 1412 CZ ARG A 85 -2.600 -2.783 -11.127 1.00 10.23 C ATOM 1413 NH1 ARG A 85 -2.184 -2.668 -12.381 1.00 11.13 N ATOM 1414 NH2 ARG A 85 -3.304 -3.846 -10.760 1.00 12.12 N ATOM 0 H ARG A 85 -1.946 0.308 -6.954 1.00 2.21 H new ATOM 0 HA ARG A 85 -3.256 2.492 -8.291 1.00 32.32 H new ATOM 0 HB2 ARG A 85 -1.720 1.888 -10.129 1.00 1.31 H new ATOM 0 HB3 ARG A 85 -0.876 2.060 -8.602 1.00 1.31 H new ATOM 0 HG2 ARG A 85 0.081 0.108 -9.364 1.00 40.22 H new ATOM 0 HG3 ARG A 85 -1.246 -0.557 -8.433 1.00 40.22 H new ATOM 0 HD2 ARG A 85 -2.170 0.060 -11.112 1.00 65.22 H new ATOM 0 HD3 ARG A 85 -0.709 -0.904 -11.211 1.00 65.22 H new ATOM 0 HE ARG A 85 -2.643 -1.955 -9.283 1.00 33.40 H new ATOM 0 HH11 ARG A 85 -1.641 -1.853 -12.665 1.00 11.13 H new ATOM 0 HH12 ARG A 85 -2.407 -3.395 -13.061 1.00 11.13 H new ATOM 0 HH21 ARG A 85 -3.624 -3.938 -9.796 1.00 12.12 H new ATOM 0 HH22 ARG A 85 -3.526 -4.571 -11.442 1.00 12.12 H new ATOM 1428 N LYS A 86 -4.481 1.343 -10.266 1.00 31.34 N ATOM 1429 CA LYS A 86 -5.492 0.734 -11.121 1.00 42.13 C ATOM 1430 C LYS A 86 -5.288 1.141 -12.578 1.00 43.13 C ATOM 1431 O LYS A 86 -4.696 0.400 -13.363 1.00 64.30 O ATOM 1432 CB LYS A 86 -6.893 1.137 -10.659 1.00 20.32 C ATOM 1433 CG LYS A 86 -7.912 0.015 -10.757 1.00 12.03 C ATOM 1434 CD LYS A 86 -8.747 -0.091 -9.493 1.00 24.43 C ATOM 1435 CE LYS A 86 -9.951 -1.001 -9.693 1.00 4.42 C ATOM 1436 NZ LYS A 86 -11.201 -0.391 -9.164 1.00 12.14 N ATOM 0 H LYS A 86 -4.204 2.284 -10.546 1.00 31.34 H new ATOM 0 HA LYS A 86 -5.391 -0.349 -11.046 1.00 42.13 H new ATOM 0 HB2 LYS A 86 -6.841 1.480 -9.626 1.00 20.32 H new ATOM 0 HB3 LYS A 86 -7.235 1.981 -11.258 1.00 20.32 H new ATOM 0 HG2 LYS A 86 -8.565 0.189 -11.612 1.00 12.03 H new ATOM 0 HG3 LYS A 86 -7.398 -0.930 -10.935 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -8.131 -0.475 -8.680 1.00 24.43 H new ATOM 0 HD3 LYS A 86 -9.085 0.901 -9.195 1.00 24.43 H new ATOM 0 HE2 LYS A 86 -10.072 -1.215 -10.755 1.00 4.42 H new ATOM 0 HE3 LYS A 86 -9.773 -1.954 -9.195 1.00 4.42 H new ATOM 0 HZ1 LYS A 86 -11.997 -1.042 -9.319 1.00 12.14 H new ATOM 0 HZ2 LYS A 86 -11.095 -0.210 -8.145 1.00 12.14 H new ATOM 0 HZ3 LYS A 86 -11.385 0.506 -9.657 1.00 12.14 H new