USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=10 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 -131:sc= -2.29! USER MOD Set 1.2: A 82 TYR OH : rot -89:sc= 1.23 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.0032) USER MOD Single : A 11 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ -138:sc= 0.641 (180deg=-1.59!) USER MOD Single : A 41 THR OG1 : rot 63:sc= 0.0266 USER MOD Single : A 43 GLN : amide:sc= -0.819 K(o=-0.82,f=-1.8!) USER MOD Single : A 46 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.7) 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= -0.35 K(o=-0.35,f=-3.2!) 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= -1.91 USER MOD Single : A 70 ASN : amide:sc= -6.09! C(o=-6.1!,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.731 X(o=-0.73,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 100:sc= 1.91 USER MOD Single : A 81 ASN : amide:sc= -0.82 K(o=-0.82,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.969 -3.684 12.354 1.00 53.22 N ATOM 74 CA ARG A 5 -8.230 -2.798 11.462 1.00 35.14 C ATOM 75 C ARG A 5 -7.064 -3.533 10.809 1.00 34.14 C ATOM 76 O ARG A 5 -6.613 -4.576 11.283 1.00 54.43 O ATOM 77 CB ARG A 5 -7.714 -1.580 12.230 1.00 32.25 C ATOM 78 CG ARG A 5 -8.584 -0.343 12.067 1.00 30.52 C ATOM 79 CD ARG A 5 -7.794 0.931 12.322 1.00 64.41 C ATOM 80 NE ARG A 5 -7.644 1.206 13.750 1.00 51.44 N ATOM 81 CZ ARG A 5 -8.599 1.751 14.495 1.00 12.24 C ATOM 82 NH1 ARG A 5 -9.763 2.078 13.953 1.00 32.35 N ATOM 83 NH2 ARG A 5 -8.387 1.971 15.787 1.00 2.02 N ATOM 0 HA ARG A 5 -8.910 -2.463 10.679 1.00 35.14 H new ATOM 0 HB2 ARG A 5 -7.648 -1.830 13.289 1.00 32.25 H new ATOM 0 HB3 ARG A 5 -6.703 -1.350 11.893 1.00 32.25 H new ATOM 0 HG2 ARG A 5 -9.000 -0.319 11.060 1.00 30.52 H new ATOM 0 HG3 ARG A 5 -9.426 -0.395 12.758 1.00 30.52 H new ATOM 0 HD2 ARG A 5 -6.809 0.844 11.864 1.00 64.41 H new ATOM 0 HD3 ARG A 5 -8.296 1.771 11.842 1.00 64.41 H new ATOM 0 HE ARG A 5 -6.759 0.967 14.198 1.00 51.44 H new ATOM 0 HH11 ARG A 5 -9.928 1.911 12.960 1.00 32.35 H new ATOM 0 HH12 ARG A 5 -10.494 2.496 14.528 1.00 32.35 H new ATOM 0 HH21 ARG A 5 -7.491 1.722 16.207 1.00 2.02 H new ATOM 0 HH22 ARG A 5 -9.120 2.390 16.360 1.00 2.02 H new ATOM 97 N PRO A 6 -6.563 -2.978 9.696 1.00 14.33 N ATOM 98 CA PRO A 6 -5.442 -3.564 8.953 1.00 21.22 C ATOM 99 C PRO A 6 -4.126 -3.460 9.716 1.00 3.32 C ATOM 100 O PRO A 6 -4.012 -2.746 10.712 1.00 44.44 O ATOM 101 CB PRO A 6 -5.388 -2.726 7.674 1.00 2.21 C ATOM 102 CG PRO A 6 -5.999 -1.419 8.050 1.00 64.24 C ATOM 103 CD PRO A 6 -7.052 -1.735 9.076 1.00 12.44 C ATOM 0 HA PRO A 6 -5.583 -4.630 8.774 1.00 21.22 H new ATOM 0 HB2 PRO A 6 -4.362 -2.598 7.328 1.00 2.21 H new ATOM 0 HB3 PRO A 6 -5.941 -3.203 6.865 1.00 2.21 H new ATOM 0 HG2 PRO A 6 -5.249 -0.740 8.456 1.00 64.24 H new ATOM 0 HG3 PRO A 6 -6.436 -0.928 7.181 1.00 64.24 H new ATOM 0 HD2 PRO A 6 -7.153 -0.934 9.808 1.00 12.44 H new ATOM 0 HD3 PRO A 6 -8.031 -1.873 8.617 1.00 12.44 H new ATOM 111 N PRO A 7 -3.105 -4.187 9.237 1.00 34.45 N ATOM 112 CA PRO A 7 -1.777 -4.193 9.857 1.00 22.15 C ATOM 113 C PRO A 7 -1.047 -2.866 9.674 1.00 0.00 C ATOM 114 O PRO A 7 -1.455 -2.008 8.892 1.00 31.24 O ATOM 115 CB PRO A 7 -1.045 -5.315 9.118 1.00 11.32 C ATOM 116 CG PRO A 7 -1.729 -5.407 7.799 1.00 53.33 C ATOM 117 CD PRO A 7 -3.169 -5.061 8.054 1.00 0.55 C ATOM 0 HA PRO A 7 -1.830 -4.341 10.936 1.00 22.15 H new ATOM 0 HB2 PRO A 7 0.014 -5.086 9.000 1.00 11.32 H new ATOM 0 HB3 PRO A 7 -1.109 -6.256 9.664 1.00 11.32 H new ATOM 0 HG2 PRO A 7 -1.284 -4.719 7.080 1.00 53.33 H new ATOM 0 HG3 PRO A 7 -1.637 -6.409 7.381 1.00 53.33 H new ATOM 0 HD2 PRO A 7 -3.617 -4.551 7.201 1.00 0.55 H new ATOM 0 HD3 PRO A 7 -3.769 -5.951 8.244 1.00 0.55 H new ATOM 125 N PRO A 8 0.061 -2.694 10.410 1.00 4.03 N ATOM 126 CA PRO A 8 0.873 -1.475 10.345 1.00 71.04 C ATOM 127 C PRO A 8 1.616 -1.344 9.019 1.00 33.35 C ATOM 128 O PRO A 8 1.527 -2.218 8.158 1.00 43.03 O ATOM 129 CB PRO A 8 1.865 -1.648 11.498 1.00 4.32 C ATOM 130 CG PRO A 8 1.965 -3.121 11.695 1.00 75.33 C ATOM 131 CD PRO A 8 0.608 -3.677 11.363 1.00 13.35 C ATOM 0 HA PRO A 8 0.263 -0.575 10.420 1.00 71.04 H new ATOM 0 HB2 PRO A 8 2.835 -1.215 11.254 1.00 4.32 H new ATOM 0 HB3 PRO A 8 1.512 -1.151 12.402 1.00 4.32 H new ATOM 0 HG2 PRO A 8 2.731 -3.550 11.049 1.00 75.33 H new ATOM 0 HG3 PRO A 8 2.244 -3.359 12.721 1.00 75.33 H new ATOM 0 HD2 PRO A 8 0.678 -4.670 10.920 1.00 13.35 H new ATOM 0 HD3 PRO A 8 -0.018 -3.767 12.251 1.00 13.35 H new ATOM 139 N VAL A 9 2.346 -0.245 8.862 1.00 10.23 N ATOM 140 CA VAL A 9 3.104 0.001 7.642 1.00 63.43 C ATOM 141 C VAL A 9 4.033 -1.167 7.327 1.00 54.11 C ATOM 142 O VAL A 9 4.573 -1.820 8.219 1.00 62.24 O ATOM 143 CB VAL A 9 3.940 1.291 7.749 1.00 24.30 C ATOM 144 CG1 VAL A 9 3.060 2.515 7.553 1.00 42.13 C ATOM 145 CG2 VAL A 9 4.658 1.350 9.090 1.00 31.50 C ATOM 0 H VAL A 9 2.428 0.489 9.565 1.00 10.23 H new ATOM 0 HA VAL A 9 2.378 0.113 6.837 1.00 63.43 H new ATOM 0 HB VAL A 9 4.692 1.283 6.960 1.00 24.30 H new ATOM 0 HG11 VAL A 9 3.668 3.416 7.632 1.00 42.13 H new ATOM 0 HG12 VAL A 9 2.596 2.475 6.568 1.00 42.13 H new ATOM 0 HG13 VAL A 9 2.285 2.532 8.319 1.00 42.13 H new ATOM 0 HG21 VAL A 9 5.244 2.267 9.149 1.00 31.50 H new ATOM 0 HG22 VAL A 9 3.925 1.335 9.896 1.00 31.50 H new ATOM 0 HG23 VAL A 9 5.320 0.490 9.186 1.00 31.50 H new ATOM 155 N PRO A 10 4.223 -1.437 6.027 1.00 34.22 N ATOM 156 CA PRO A 10 5.087 -2.527 5.564 1.00 23.23 C ATOM 157 C PRO A 10 6.564 -2.247 5.823 1.00 33.11 C ATOM 158 O PRO A 10 7.322 -1.958 4.898 1.00 75.23 O ATOM 159 CB PRO A 10 4.810 -2.584 4.059 1.00 72.53 C ATOM 160 CG PRO A 10 4.352 -1.212 3.706 1.00 3.51 C ATOM 161 CD PRO A 10 3.611 -0.698 4.909 1.00 74.24 C ATOM 0 HA PRO A 10 4.879 -3.461 6.086 1.00 23.23 H new ATOM 0 HB2 PRO A 10 5.706 -2.858 3.502 1.00 72.53 H new ATOM 0 HB3 PRO A 10 4.049 -3.328 3.824 1.00 72.53 H new ATOM 0 HG2 PRO A 10 5.198 -0.569 3.465 1.00 3.51 H new ATOM 0 HG3 PRO A 10 3.706 -1.230 2.829 1.00 3.51 H new ATOM 0 HD2 PRO A 10 3.731 0.379 5.025 1.00 74.24 H new ATOM 0 HD3 PRO A 10 2.541 -0.893 4.836 1.00 74.24 H new ATOM 169 N ASN A 11 6.964 -2.336 7.087 1.00 63.52 N ATOM 170 CA ASN A 11 8.352 -2.091 7.468 1.00 74.41 C ATOM 171 C ASN A 11 8.949 -0.954 6.644 1.00 31.24 C ATOM 172 O ASN A 11 9.615 -1.170 5.631 1.00 33.53 O ATOM 173 CB ASN A 11 9.184 -3.361 7.283 1.00 41.11 C ATOM 174 CG ASN A 11 8.799 -4.127 6.032 1.00 64.13 C ATOM 175 OD1 ASN A 11 7.924 -4.992 6.065 1.00 71.55 O ATOM 176 ND2 ASN A 11 9.455 -3.813 4.921 1.00 61.12 N ATOM 0 H ASN A 11 6.349 -2.575 7.864 1.00 63.52 H new ATOM 0 HA ASN A 11 8.370 -1.803 8.519 1.00 74.41 H new ATOM 0 HB2 ASN A 11 10.240 -3.096 7.233 1.00 41.11 H new ATOM 0 HB3 ASN A 11 9.058 -4.005 8.153 1.00 41.11 H new ATOM 0 HD21 ASN A 11 9.241 -4.296 4.048 1.00 61.12 H new ATOM 0 HD22 ASN A 11 10.173 -3.089 4.940 1.00 61.12 H new ATOM 183 N PRO A 12 8.708 0.289 7.090 1.00 72.14 N ATOM 184 CA PRO A 12 9.214 1.485 6.410 1.00 61.00 C ATOM 185 C PRO A 12 10.727 1.627 6.538 1.00 22.11 C ATOM 186 O PRO A 12 11.291 1.418 7.612 1.00 12.24 O ATOM 187 CB PRO A 12 8.506 2.631 7.136 1.00 72.41 C ATOM 188 CG PRO A 12 8.190 2.087 8.486 1.00 1.10 C ATOM 189 CD PRO A 12 7.923 0.620 8.290 1.00 32.13 C ATOM 0 HA PRO A 12 9.021 1.458 5.338 1.00 61.00 H new ATOM 0 HB2 PRO A 12 9.145 3.511 7.204 1.00 72.41 H new ATOM 0 HB3 PRO A 12 7.601 2.934 6.610 1.00 72.41 H new ATOM 0 HG2 PRO A 12 9.021 2.244 9.174 1.00 1.10 H new ATOM 0 HG3 PRO A 12 7.322 2.588 8.915 1.00 1.10 H new ATOM 0 HD2 PRO A 12 8.241 0.035 9.153 1.00 32.13 H new ATOM 0 HD3 PRO A 12 6.861 0.421 8.144 1.00 32.13 H new ATOM 197 N ASP A 13 11.377 1.983 5.436 1.00 3.15 N ATOM 198 CA ASP A 13 12.827 2.156 5.425 1.00 71.42 C ATOM 199 C ASP A 13 13.207 3.519 4.858 1.00 25.21 C ATOM 200 O ASP A 13 13.941 3.610 3.873 1.00 14.24 O ATOM 201 CB ASP A 13 13.486 1.045 4.606 1.00 41.40 C ATOM 202 CG ASP A 13 12.822 -0.300 4.812 1.00 70.51 C ATOM 203 OD1 ASP A 13 13.362 -1.118 5.587 1.00 23.11 O ATOM 204 OD2 ASP A 13 11.760 -0.538 4.200 1.00 4.10 O ATOM 0 H ASP A 13 10.925 2.158 4.539 1.00 3.15 H new ATOM 0 HA ASP A 13 13.184 2.100 6.453 1.00 71.42 H new ATOM 0 HB2 ASP A 13 13.449 1.307 3.549 1.00 41.40 H new ATOM 0 HB3 ASP A 13 14.539 0.972 4.879 1.00 41.40 H new ATOM 210 N TYR A 14 12.703 4.576 5.485 1.00 71.31 N ATOM 211 CA TYR A 14 12.987 5.936 5.041 1.00 45.40 C ATOM 212 C TYR A 14 14.086 6.568 5.891 1.00 11.22 C ATOM 213 O TYR A 14 14.667 7.586 5.517 1.00 21.33 O ATOM 214 CB TYR A 14 11.721 6.791 5.105 1.00 50.14 C ATOM 215 CG TYR A 14 10.971 6.665 6.411 1.00 71.11 C ATOM 216 CD1 TYR A 14 11.545 7.074 7.607 1.00 62.44 C ATOM 217 CD2 TYR A 14 9.686 6.137 6.447 1.00 25.44 C ATOM 218 CE1 TYR A 14 10.863 6.960 8.804 1.00 3.10 C ATOM 219 CE2 TYR A 14 8.995 6.020 7.639 1.00 2.42 C ATOM 220 CZ TYR A 14 9.589 6.433 8.814 1.00 35.30 C ATOM 221 OH TYR A 14 8.905 6.319 10.003 1.00 65.33 O ATOM 0 H TYR A 14 12.096 4.517 6.302 1.00 71.31 H new ATOM 0 HA TYR A 14 13.333 5.889 4.008 1.00 45.40 H new ATOM 0 HB2 TYR A 14 11.990 7.836 4.950 1.00 50.14 H new ATOM 0 HB3 TYR A 14 11.059 6.507 4.287 1.00 50.14 H new ATOM 0 HD1 TYR A 14 12.542 7.489 7.602 1.00 62.44 H new ATOM 0 HD2 TYR A 14 9.219 5.813 5.529 1.00 25.44 H new ATOM 0 HE1 TYR A 14 11.325 7.282 9.726 1.00 3.10 H new ATOM 0 HE2 TYR A 14 7.997 5.608 7.650 1.00 2.42 H new ATOM 0 HH TYR A 14 8.021 5.930 9.836 1.00 65.33 H new ATOM 491 N GLU A 31 4.105 8.367 -16.694 1.00 44.22 N ATOM 492 CA GLU A 31 2.780 8.907 -16.417 1.00 35.44 C ATOM 493 C GLU A 31 1.899 7.864 -15.734 1.00 42.33 C ATOM 494 O GLU A 31 0.941 7.363 -16.322 1.00 54.11 O ATOM 495 CB GLU A 31 2.117 9.381 -17.711 1.00 1.51 C ATOM 496 CG GLU A 31 3.034 10.206 -18.598 1.00 22.14 C ATOM 497 CD GLU A 31 2.385 11.491 -19.074 1.00 30.12 C ATOM 498 OE1 GLU A 31 1.780 12.196 -18.239 1.00 60.25 O ATOM 499 OE2 GLU A 31 2.483 11.792 -20.282 1.00 70.13 O ATOM 0 HA GLU A 31 2.896 9.757 -15.744 1.00 35.44 H new ATOM 0 HB2 GLU A 31 1.769 8.513 -18.270 1.00 1.51 H new ATOM 0 HB3 GLU A 31 1.237 9.973 -17.462 1.00 1.51 H new ATOM 0 HG2 GLU A 31 3.945 10.445 -18.049 1.00 22.14 H new ATOM 0 HG3 GLU A 31 3.329 9.611 -19.462 1.00 22.14 H new ATOM 506 N VAL A 32 2.234 7.538 -14.488 1.00 52.32 N ATOM 507 CA VAL A 32 1.475 6.555 -13.726 1.00 13.41 C ATOM 508 C VAL A 32 0.683 7.220 -12.606 1.00 32.04 C ATOM 509 O VAL A 32 1.049 8.294 -12.127 1.00 31.43 O ATOM 510 CB VAL A 32 2.397 5.482 -13.118 1.00 63.34 C ATOM 511 CG1 VAL A 32 1.579 4.328 -12.559 1.00 53.45 C ATOM 512 CG2 VAL A 32 3.394 4.987 -14.157 1.00 35.24 C ATOM 0 H VAL A 32 3.026 7.941 -13.987 1.00 52.32 H new ATOM 0 HA VAL A 32 0.785 6.079 -14.423 1.00 13.41 H new ATOM 0 HB VAL A 32 2.955 5.930 -12.296 1.00 63.34 H new ATOM 0 HG11 VAL A 32 2.248 3.580 -12.134 1.00 53.45 H new ATOM 0 HG12 VAL A 32 0.910 4.699 -11.783 1.00 53.45 H new ATOM 0 HG13 VAL A 32 0.992 3.877 -13.359 1.00 53.45 H new ATOM 0 HG21 VAL A 32 4.038 4.229 -13.711 1.00 35.24 H new ATOM 0 HG22 VAL A 32 2.856 4.555 -15.001 1.00 35.24 H new ATOM 0 HG23 VAL A 32 4.003 5.822 -14.504 1.00 35.24 H new ATOM 522 N ILE A 33 -0.404 6.576 -12.193 1.00 2.11 N ATOM 523 CA ILE A 33 -1.247 7.106 -11.129 1.00 61.40 C ATOM 524 C ILE A 33 -1.714 5.995 -10.193 1.00 43.55 C ATOM 525 O ILE A 33 -2.142 4.932 -10.640 1.00 41.03 O ATOM 526 CB ILE A 33 -2.479 7.835 -11.696 1.00 42.31 C ATOM 527 CG1 ILE A 33 -2.056 9.126 -12.398 1.00 13.41 C ATOM 528 CG2 ILE A 33 -3.478 8.130 -10.586 1.00 65.13 C ATOM 529 CD1 ILE A 33 -3.200 9.848 -13.077 1.00 40.21 C ATOM 0 H ILE A 33 -0.721 5.687 -12.579 1.00 2.11 H new ATOM 0 HA ILE A 33 -0.639 7.818 -10.571 1.00 61.40 H new ATOM 0 HB ILE A 33 -2.961 7.187 -12.428 1.00 42.31 H new ATOM 0 HG12 ILE A 33 -1.598 9.794 -11.668 1.00 13.41 H new ATOM 0 HG13 ILE A 33 -1.292 8.893 -13.140 1.00 13.41 H new ATOM 0 HG21 ILE A 33 -4.343 8.646 -11.003 1.00 65.13 H new ATOM 0 HG22 ILE A 33 -3.799 7.195 -10.127 1.00 65.13 H new ATOM 0 HG23 ILE A 33 -3.008 8.761 -9.832 1.00 65.13 H new ATOM 0 HD11 ILE A 33 -2.826 10.754 -13.554 1.00 40.21 H new ATOM 0 HD12 ILE A 33 -3.644 9.198 -13.831 1.00 40.21 H new ATOM 0 HD13 ILE A 33 -3.954 10.112 -12.336 1.00 40.21 H new ATOM 541 N VAL A 34 -1.628 6.251 -8.892 1.00 0.14 N ATOM 542 CA VAL A 34 -2.044 5.274 -7.892 1.00 61.11 C ATOM 543 C VAL A 34 -3.318 5.722 -7.184 1.00 72.44 C ATOM 544 O VAL A 34 -3.797 6.836 -7.392 1.00 24.34 O ATOM 545 CB VAL A 34 -0.941 5.041 -6.843 1.00 71.51 C ATOM 546 CG1 VAL A 34 -1.102 6.004 -5.675 1.00 14.54 C ATOM 547 CG2 VAL A 34 -0.961 3.598 -6.361 1.00 61.22 C ATOM 0 H VAL A 34 -1.274 7.126 -8.505 1.00 0.14 H new ATOM 0 HA VAL A 34 -2.235 4.340 -8.421 1.00 61.11 H new ATOM 0 HB VAL A 34 0.026 5.231 -7.309 1.00 71.51 H new ATOM 0 HG11 VAL A 34 -0.314 5.824 -4.944 1.00 14.54 H new ATOM 0 HG12 VAL A 34 -1.034 7.030 -6.037 1.00 14.54 H new ATOM 0 HG13 VAL A 34 -2.074 5.848 -5.206 1.00 14.54 H new ATOM 0 HG21 VAL A 34 -0.175 3.451 -5.620 1.00 61.22 H new ATOM 0 HG22 VAL A 34 -1.929 3.378 -5.911 1.00 61.22 H new ATOM 0 HG23 VAL A 34 -0.793 2.930 -7.206 1.00 61.22 H new ATOM 557 N ILE A 35 -3.862 4.844 -6.348 1.00 32.32 N ATOM 558 CA ILE A 35 -5.080 5.149 -5.607 1.00 10.10 C ATOM 559 C ILE A 35 -4.975 4.683 -4.159 1.00 64.11 C ATOM 560 O ILE A 35 -4.613 3.538 -3.890 1.00 1.51 O ATOM 561 CB ILE A 35 -6.313 4.493 -6.258 1.00 32.24 C ATOM 562 CG1 ILE A 35 -6.463 4.964 -7.705 1.00 71.15 C ATOM 563 CG2 ILE A 35 -7.567 4.813 -5.457 1.00 51.42 C ATOM 564 CD1 ILE A 35 -7.662 4.369 -8.412 1.00 42.14 C ATOM 0 H ILE A 35 -3.479 3.916 -6.167 1.00 32.32 H new ATOM 0 HA ILE A 35 -5.200 6.232 -5.629 1.00 10.10 H new ATOM 0 HB ILE A 35 -6.173 3.412 -6.261 1.00 32.24 H new ATOM 0 HG12 ILE A 35 -6.546 6.051 -7.718 1.00 71.15 H new ATOM 0 HG13 ILE A 35 -5.560 4.706 -8.258 1.00 71.15 H new ATOM 0 HG21 ILE A 35 -8.430 4.343 -5.929 1.00 51.42 H new ATOM 0 HG22 ILE A 35 -7.457 4.433 -4.441 1.00 51.42 H new ATOM 0 HG23 ILE A 35 -7.714 5.893 -5.426 1.00 51.42 H new ATOM 0 HD11 ILE A 35 -7.706 4.747 -9.434 1.00 42.14 H new ATOM 0 HD12 ILE A 35 -7.572 3.283 -8.430 1.00 42.14 H new ATOM 0 HD13 ILE A 35 -8.573 4.648 -7.882 1.00 42.14 H new ATOM 576 N ALA A 36 -5.295 5.578 -3.231 1.00 2.13 N ATOM 577 CA ALA A 36 -5.241 5.258 -1.809 1.00 45.12 C ATOM 578 C ALA A 36 -6.441 4.417 -1.390 1.00 24.32 C ATOM 579 O ALA A 36 -7.584 4.866 -1.469 1.00 13.11 O ATOM 580 CB ALA A 36 -5.171 6.534 -0.983 1.00 42.22 C ATOM 0 H ALA A 36 -5.595 6.531 -3.438 1.00 2.13 H new ATOM 0 HA ALA A 36 -4.340 4.672 -1.627 1.00 45.12 H new ATOM 0 HB1 ALA A 36 -5.131 6.280 0.076 1.00 42.22 H new ATOM 0 HB2 ALA A 36 -4.277 7.095 -1.255 1.00 42.22 H new ATOM 0 HB3 ALA A 36 -6.054 7.142 -1.177 1.00 42.22 H new ATOM 586 N LYS A 37 -6.173 3.195 -0.942 1.00 14.40 N ATOM 587 CA LYS A 37 -7.232 2.291 -0.508 1.00 52.44 C ATOM 588 C LYS A 37 -7.863 2.775 0.793 1.00 15.12 C ATOM 589 O LYS A 37 -9.029 2.495 1.072 1.00 52.31 O ATOM 590 CB LYS A 37 -6.678 0.877 -0.324 1.00 71.50 C ATOM 591 CG LYS A 37 -5.799 0.412 -1.472 1.00 0.13 C ATOM 592 CD LYS A 37 -5.398 -1.045 -1.314 1.00 20.43 C ATOM 593 CE LYS A 37 -4.031 -1.179 -0.662 1.00 71.54 C ATOM 594 NZ LYS A 37 -3.203 -2.230 -1.318 1.00 10.03 N ATOM 0 H LYS A 37 -5.232 2.808 -0.870 1.00 14.40 H new ATOM 0 HA LYS A 37 -8.002 2.276 -1.280 1.00 52.44 H new ATOM 0 HB2 LYS A 37 -6.103 0.839 0.601 1.00 71.50 H new ATOM 0 HB3 LYS A 37 -7.510 0.182 -0.210 1.00 71.50 H new ATOM 0 HG2 LYS A 37 -6.330 0.544 -2.415 1.00 0.13 H new ATOM 0 HG3 LYS A 37 -4.905 1.033 -1.521 1.00 0.13 H new ATOM 0 HD2 LYS A 37 -6.142 -1.565 -0.711 1.00 20.43 H new ATOM 0 HD3 LYS A 37 -5.385 -1.528 -2.291 1.00 20.43 H new ATOM 0 HE2 LYS A 37 -3.510 -0.223 -0.712 1.00 71.54 H new ATOM 0 HE3 LYS A 37 -4.154 -1.420 0.394 1.00 71.54 H new ATOM 0 HZ1 LYS A 37 -2.708 -2.786 -0.591 1.00 10.03 H new ATOM 0 HZ2 LYS A 37 -3.817 -2.858 -1.876 1.00 10.03 H new ATOM 0 HZ3 LYS A 37 -2.505 -1.781 -1.945 1.00 10.03 H new ATOM 608 N TRP A 38 -7.087 3.505 1.585 1.00 64.12 N ATOM 609 CA TRP A 38 -7.570 4.030 2.857 1.00 23.30 C ATOM 610 C TRP A 38 -7.006 5.421 3.121 1.00 5.45 C ATOM 611 O TRP A 38 -6.419 6.042 2.235 1.00 64.01 O ATOM 612 CB TRP A 38 -7.189 3.086 4.000 1.00 10.32 C ATOM 613 CG TRP A 38 -7.098 1.651 3.579 1.00 61.24 C ATOM 614 CD1 TRP A 38 -5.958 0.934 3.347 1.00 1.23 C ATOM 615 CD2 TRP A 38 -8.191 0.757 3.339 1.00 71.51 C ATOM 616 NE1 TRP A 38 -6.276 -0.349 2.976 1.00 34.34 N ATOM 617 CE2 TRP A 38 -7.641 -0.485 2.965 1.00 23.45 C ATOM 618 CE3 TRP A 38 -9.581 0.884 3.405 1.00 33.11 C ATOM 619 CZ2 TRP A 38 -8.431 -1.588 2.659 1.00 11.12 C ATOM 620 CZ3 TRP A 38 -10.365 -0.212 3.100 1.00 1.23 C ATOM 621 CH2 TRP A 38 -9.789 -1.435 2.732 1.00 13.13 C ATOM 0 H TRP A 38 -6.120 3.747 1.369 1.00 64.12 H new ATOM 0 HA TRP A 38 -8.656 4.103 2.802 1.00 23.30 H new ATOM 0 HB2 TRP A 38 -6.230 3.397 4.414 1.00 10.32 H new ATOM 0 HB3 TRP A 38 -7.926 3.177 4.798 1.00 10.32 H new ATOM 0 HD1 TRP A 38 -4.954 1.320 3.442 1.00 1.23 H new ATOM 0 HE1 TRP A 38 -5.606 -1.083 2.746 1.00 34.34 H new ATOM 0 HE3 TRP A 38 -10.034 1.822 3.689 1.00 33.11 H new ATOM 0 HZ2 TRP A 38 -7.989 -2.531 2.374 1.00 11.12 H new ATOM 0 HZ3 TRP A 38 -11.440 -0.124 3.146 1.00 1.23 H new ATOM 0 HH2 TRP A 38 -10.429 -2.274 2.501 1.00 13.13 H new ATOM 632 N ASP A 39 -7.188 5.905 4.345 1.00 5.44 N ATOM 633 CA ASP A 39 -6.695 7.225 4.726 1.00 61.23 C ATOM 634 C ASP A 39 -5.513 7.109 5.683 1.00 55.43 C ATOM 635 O ASP A 39 -5.624 6.511 6.753 1.00 71.41 O ATOM 636 CB ASP A 39 -7.814 8.042 5.375 1.00 0.35 C ATOM 637 CG ASP A 39 -8.883 7.167 5.999 1.00 41.43 C ATOM 638 OD1 ASP A 39 -9.699 6.597 5.242 1.00 71.22 O ATOM 639 OD2 ASP A 39 -8.905 7.051 7.242 1.00 54.54 O ATOM 0 H ASP A 39 -7.673 5.404 5.090 1.00 5.44 H new ATOM 0 HA ASP A 39 -6.359 7.735 3.823 1.00 61.23 H new ATOM 0 HB2 ASP A 39 -7.389 8.692 6.140 1.00 0.35 H new ATOM 0 HB3 ASP A 39 -8.270 8.688 4.625 1.00 0.35 H new ATOM 645 N TYR A 40 -4.381 7.680 5.288 1.00 25.04 N ATOM 646 CA TYR A 40 -3.176 7.638 6.109 1.00 4.32 C ATOM 647 C TYR A 40 -2.635 9.042 6.354 1.00 20.15 C ATOM 648 O TYR A 40 -2.548 9.859 5.435 1.00 72.51 O ATOM 649 CB TYR A 40 -2.107 6.777 5.435 1.00 62.34 C ATOM 650 CG TYR A 40 -1.422 5.814 6.379 1.00 74.54 C ATOM 651 CD1 TYR A 40 -2.162 4.944 7.171 1.00 64.24 C ATOM 652 CD2 TYR A 40 -0.036 5.773 6.478 1.00 11.34 C ATOM 653 CE1 TYR A 40 -1.539 4.062 8.034 1.00 31.44 C ATOM 654 CE2 TYR A 40 0.593 4.896 7.339 1.00 34.24 C ATOM 655 CZ TYR A 40 -0.163 4.043 8.115 1.00 40.11 C ATOM 656 OH TYR A 40 0.460 3.166 8.974 1.00 73.13 O ATOM 0 H TYR A 40 -4.272 8.178 4.404 1.00 25.04 H new ATOM 0 HA TYR A 40 -3.436 7.197 7.071 1.00 4.32 H new ATOM 0 HB2 TYR A 40 -2.566 6.213 4.623 1.00 62.34 H new ATOM 0 HB3 TYR A 40 -1.357 7.429 4.986 1.00 62.34 H new ATOM 0 HD1 TYR A 40 -3.240 4.957 7.111 1.00 64.24 H new ATOM 0 HD2 TYR A 40 0.559 6.439 5.871 1.00 11.34 H new ATOM 0 HE1 TYR A 40 -2.128 3.391 8.642 1.00 31.44 H new ATOM 0 HE2 TYR A 40 1.671 4.878 7.404 1.00 34.24 H new ATOM 0 HH TYR A 40 1.126 3.648 9.508 1.00 73.13 H new ATOM 666 N THR A 41 -2.269 9.319 7.602 1.00 65.41 N ATOM 667 CA THR A 41 -1.735 10.624 7.971 1.00 43.21 C ATOM 668 C THR A 41 -0.212 10.592 8.056 1.00 54.12 C ATOM 669 O THR A 41 0.365 9.691 8.663 1.00 24.11 O ATOM 670 CB THR A 41 -2.303 11.103 9.320 1.00 72.12 C ATOM 671 OG1 THR A 41 -1.688 12.337 9.700 1.00 23.32 O ATOM 672 CG2 THR A 41 -2.071 10.060 10.405 1.00 74.35 C ATOM 0 H THR A 41 -2.333 8.656 8.375 1.00 65.41 H new ATOM 0 HA THR A 41 -2.038 11.321 7.190 1.00 43.21 H new ATOM 0 HB THR A 41 -3.376 11.253 9.205 1.00 72.12 H new ATOM 0 HG1 THR A 41 -1.904 13.027 9.039 1.00 23.32 H new ATOM 0 HG21 THR A 41 -2.480 10.420 11.349 1.00 74.35 H new ATOM 0 HG22 THR A 41 -2.565 9.129 10.127 1.00 74.35 H new ATOM 0 HG23 THR A 41 -1.001 9.883 10.517 1.00 74.35 H new ATOM 680 N ALA A 42 0.430 11.581 7.443 1.00 21.30 N ATOM 681 CA ALA A 42 1.885 11.666 7.452 1.00 1.31 C ATOM 682 C ALA A 42 2.427 11.662 8.878 1.00 71.23 C ATOM 683 O ALA A 42 2.033 12.486 9.703 1.00 10.24 O ATOM 684 CB ALA A 42 2.345 12.915 6.715 1.00 11.23 C ATOM 0 H ALA A 42 -0.034 12.334 6.935 1.00 21.30 H new ATOM 0 HA ALA A 42 2.278 10.788 6.939 1.00 1.31 H new ATOM 0 HB1 ALA A 42 3.434 12.966 6.730 1.00 11.23 H new ATOM 0 HB2 ALA A 42 1.997 12.877 5.683 1.00 11.23 H new ATOM 0 HB3 ALA A 42 1.934 13.798 7.204 1.00 11.23 H new ATOM 690 N GLN A 43 3.329 10.729 9.160 1.00 63.42 N ATOM 691 CA GLN A 43 3.923 10.617 10.486 1.00 24.33 C ATOM 692 C GLN A 43 5.224 11.408 10.570 1.00 45.24 C ATOM 693 O GLN A 43 5.447 12.155 11.521 1.00 64.02 O ATOM 694 CB GLN A 43 4.182 9.149 10.832 1.00 1.52 C ATOM 695 CG GLN A 43 3.038 8.224 10.448 1.00 25.04 C ATOM 696 CD GLN A 43 3.277 7.516 9.129 1.00 25.22 C ATOM 697 OE1 GLN A 43 4.416 7.208 8.774 1.00 15.11 O ATOM 698 NE2 GLN A 43 2.204 7.256 8.393 1.00 0.54 N ATOM 0 H GLN A 43 3.665 10.039 8.488 1.00 63.42 H new ATOM 0 HA GLN A 43 3.219 11.034 11.206 1.00 24.33 H new ATOM 0 HB2 GLN A 43 5.090 8.820 10.327 1.00 1.52 H new ATOM 0 HB3 GLN A 43 4.364 9.063 11.903 1.00 1.52 H new ATOM 0 HG2 GLN A 43 2.897 7.482 11.234 1.00 25.04 H new ATOM 0 HG3 GLN A 43 2.115 8.801 10.384 1.00 25.04 H new ATOM 0 HE21 GLN A 43 1.279 7.529 8.726 1.00 0.54 H new ATOM 0 HE22 GLN A 43 2.304 6.783 7.495 1.00 0.54 H new ATOM 707 N GLN A 44 6.080 11.238 9.566 1.00 73.33 N ATOM 708 CA GLN A 44 7.359 11.935 9.528 1.00 54.52 C ATOM 709 C GLN A 44 7.280 13.166 8.631 1.00 4.03 C ATOM 710 O GLN A 44 6.196 13.576 8.216 1.00 3.11 O ATOM 711 CB GLN A 44 8.460 10.997 9.028 1.00 21.43 C ATOM 712 CG GLN A 44 8.338 9.579 9.562 1.00 54.15 C ATOM 713 CD GLN A 44 8.682 9.477 11.034 1.00 64.20 C ATOM 714 OE1 GLN A 44 9.793 9.809 11.448 1.00 74.10 O ATOM 715 NE2 GLN A 44 7.728 9.017 11.835 1.00 41.23 N ATOM 0 H GLN A 44 5.910 10.624 8.769 1.00 73.33 H new ATOM 0 HA GLN A 44 7.598 12.259 10.541 1.00 54.52 H new ATOM 0 HB2 GLN A 44 8.436 10.970 7.939 1.00 21.43 H new ATOM 0 HB3 GLN A 44 9.430 11.403 9.315 1.00 21.43 H new ATOM 0 HG2 GLN A 44 7.320 9.223 9.405 1.00 54.15 H new ATOM 0 HG3 GLN A 44 8.997 8.923 8.993 1.00 54.15 H new ATOM 0 HE21 GLN A 44 6.821 8.753 11.449 1.00 41.23 H new ATOM 0 HE22 GLN A 44 7.902 8.927 12.836 1.00 41.23 H new ATOM 724 N ASP A 45 8.436 13.754 8.338 1.00 60.45 N ATOM 725 CA ASP A 45 8.498 14.939 7.491 1.00 63.14 C ATOM 726 C ASP A 45 8.588 14.550 6.018 1.00 22.34 C ATOM 727 O ASP A 45 8.397 15.386 5.135 1.00 71.00 O ATOM 728 CB ASP A 45 9.697 15.806 7.878 1.00 11.32 C ATOM 729 CG ASP A 45 9.406 16.699 9.068 1.00 31.14 C ATOM 730 OD1 ASP A 45 8.536 17.588 8.947 1.00 55.34 O ATOM 731 OD2 ASP A 45 10.047 16.509 10.123 1.00 34.22 O ATOM 0 H ASP A 45 9.342 13.429 8.675 1.00 60.45 H new ATOM 0 HA ASP A 45 7.583 15.512 7.641 1.00 63.14 H new ATOM 0 HB2 ASP A 45 10.547 15.164 8.109 1.00 11.32 H new ATOM 0 HB3 ASP A 45 9.986 16.423 7.027 1.00 11.32 H new ATOM 737 N GLN A 46 8.883 13.280 5.764 1.00 30.11 N ATOM 738 CA GLN A 46 9.001 12.783 4.399 1.00 64.44 C ATOM 739 C GLN A 46 7.699 12.132 3.942 1.00 3.55 C ATOM 740 O GLN A 46 7.436 12.023 2.745 1.00 44.52 O ATOM 741 CB GLN A 46 10.150 11.778 4.298 1.00 64.44 C ATOM 742 CG GLN A 46 11.185 12.140 3.245 1.00 4.24 C ATOM 743 CD GLN A 46 11.743 13.538 3.433 1.00 62.10 C ATOM 744 OE1 GLN A 46 11.553 14.159 4.479 1.00 64.32 O ATOM 745 NE2 GLN A 46 12.435 14.041 2.418 1.00 65.12 N ATOM 0 H GLN A 46 9.045 12.577 6.485 1.00 30.11 H new ATOM 0 HA GLN A 46 9.210 13.631 3.747 1.00 64.44 H new ATOM 0 HB2 GLN A 46 10.642 11.703 5.268 1.00 64.44 H new ATOM 0 HB3 GLN A 46 9.741 10.793 4.070 1.00 64.44 H new ATOM 0 HG2 GLN A 46 12.002 11.419 3.280 1.00 4.24 H new ATOM 0 HG3 GLN A 46 10.734 12.063 2.256 1.00 4.24 H new ATOM 0 HE21 GLN A 46 12.568 13.491 1.569 1.00 65.12 H new ATOM 0 HE22 GLN A 46 12.834 14.977 2.487 1.00 65.12 H new ATOM 754 N GLU A 47 6.888 11.703 4.903 1.00 61.35 N ATOM 755 CA GLU A 47 5.614 11.062 4.597 1.00 4.14 C ATOM 756 C GLU A 47 4.571 12.097 4.187 1.00 71.35 C ATOM 757 O GLU A 47 4.718 13.287 4.463 1.00 31.34 O ATOM 758 CB GLU A 47 5.116 10.268 5.807 1.00 32.12 C ATOM 759 CG GLU A 47 6.211 9.500 6.527 1.00 3.44 C ATOM 760 CD GLU A 47 7.182 8.836 5.570 1.00 30.21 C ATOM 761 OE1 GLU A 47 6.732 8.350 4.512 1.00 62.44 O ATOM 762 OE2 GLU A 47 8.391 8.800 5.883 1.00 12.22 O ATOM 0 H GLU A 47 7.090 11.787 5.899 1.00 61.35 H new ATOM 0 HA GLU A 47 5.769 10.378 3.762 1.00 4.14 H new ATOM 0 HB2 GLU A 47 4.643 10.953 6.510 1.00 32.12 H new ATOM 0 HB3 GLU A 47 4.348 9.567 5.479 1.00 32.12 H new ATOM 0 HG2 GLU A 47 6.758 10.180 7.180 1.00 3.44 H new ATOM 0 HG3 GLU A 47 5.758 8.741 7.165 1.00 3.44 H new ATOM 769 N LEU A 48 3.515 11.633 3.527 1.00 43.42 N ATOM 770 CA LEU A 48 2.445 12.516 3.076 1.00 24.33 C ATOM 771 C LEU A 48 1.090 12.026 3.573 1.00 14.32 C ATOM 772 O LEU A 48 0.891 10.830 3.784 1.00 34.12 O ATOM 773 CB LEU A 48 2.440 12.608 1.551 1.00 71.23 C ATOM 774 CG LEU A 48 2.501 14.018 0.961 1.00 63.34 C ATOM 775 CD1 LEU A 48 2.658 13.959 -0.550 1.00 53.14 C ATOM 776 CD2 LEU A 48 1.258 14.809 1.341 1.00 51.02 C ATOM 0 H LEU A 48 3.377 10.650 3.292 1.00 43.42 H new ATOM 0 HA LEU A 48 2.627 13.507 3.491 1.00 24.33 H new ATOM 0 HB2 LEU A 48 3.289 12.040 1.170 1.00 71.23 H new ATOM 0 HB3 LEU A 48 1.538 12.120 1.181 1.00 71.23 H new ATOM 0 HG LEU A 48 3.371 14.527 1.375 1.00 63.34 H new ATOM 0 HD11 LEU A 48 2.699 14.972 -0.951 1.00 53.14 H new ATOM 0 HD12 LEU A 48 3.579 13.432 -0.800 1.00 53.14 H new ATOM 0 HD13 LEU A 48 1.809 13.431 -0.984 1.00 53.14 H new ATOM 0 HD21 LEU A 48 1.318 15.810 0.913 1.00 51.02 H new ATOM 0 HD22 LEU A 48 0.373 14.303 0.956 1.00 51.02 H new ATOM 0 HD23 LEU A 48 1.191 14.882 2.426 1.00 51.02 H new ATOM 788 N ASP A 49 0.160 12.957 3.756 1.00 52.44 N ATOM 789 CA ASP A 49 -1.180 12.619 4.223 1.00 62.12 C ATOM 790 C ASP A 49 -2.126 12.398 3.047 1.00 31.40 C ATOM 791 O ASP A 49 -2.232 13.240 2.156 1.00 3.41 O ATOM 792 CB ASP A 49 -1.722 13.727 5.128 1.00 11.04 C ATOM 793 CG ASP A 49 -2.924 13.278 5.935 1.00 21.45 C ATOM 794 OD1 ASP A 49 -3.768 12.543 5.384 1.00 74.32 O ATOM 795 OD2 ASP A 49 -3.019 13.664 7.119 1.00 60.33 O ATOM 0 H ASP A 49 0.309 13.952 3.588 1.00 52.44 H new ATOM 0 HA ASP A 49 -1.116 11.692 4.794 1.00 62.12 H new ATOM 0 HB2 ASP A 49 -0.935 14.056 5.806 1.00 11.04 H new ATOM 0 HB3 ASP A 49 -1.998 14.588 4.519 1.00 11.04 H new ATOM 801 N ILE A 50 -2.811 11.258 3.054 1.00 53.45 N ATOM 802 CA ILE A 50 -3.748 10.926 1.988 1.00 41.53 C ATOM 803 C ILE A 50 -5.058 10.389 2.554 1.00 21.31 C ATOM 804 O ILE A 50 -5.069 9.702 3.575 1.00 41.13 O ATOM 805 CB ILE A 50 -3.154 9.885 1.020 1.00 31.12 C ATOM 806 CG1 ILE A 50 -2.354 8.836 1.794 1.00 75.24 C ATOM 807 CG2 ILE A 50 -2.278 10.567 -0.020 1.00 55.42 C ATOM 808 CD1 ILE A 50 -2.293 7.490 1.104 1.00 4.11 C ATOM 0 H ILE A 50 -2.734 10.551 3.785 1.00 53.45 H new ATOM 0 HA ILE A 50 -3.943 11.849 1.441 1.00 41.53 H new ATOM 0 HB ILE A 50 -3.972 9.383 0.503 1.00 31.12 H new ATOM 0 HG12 ILE A 50 -1.339 9.204 1.945 1.00 75.24 H new ATOM 0 HG13 ILE A 50 -2.797 8.709 2.782 1.00 75.24 H new ATOM 0 HG21 ILE A 50 -1.866 9.818 -0.696 1.00 55.42 H new ATOM 0 HG22 ILE A 50 -2.876 11.279 -0.588 1.00 55.42 H new ATOM 0 HG23 ILE A 50 -1.464 11.093 0.479 1.00 55.42 H new ATOM 0 HD11 ILE A 50 -1.710 6.797 1.710 1.00 4.11 H new ATOM 0 HD12 ILE A 50 -3.303 7.100 0.977 1.00 4.11 H new ATOM 0 HD13 ILE A 50 -1.822 7.603 0.127 1.00 4.11 H new ATOM 820 N LYS A 51 -6.159 10.706 1.883 1.00 71.25 N ATOM 821 CA LYS A 51 -7.476 10.253 2.317 1.00 75.41 C ATOM 822 C LYS A 51 -8.019 9.179 1.379 1.00 53.41 C ATOM 823 O LYS A 51 -7.707 9.164 0.188 1.00 22.33 O ATOM 824 CB LYS A 51 -8.450 11.432 2.377 1.00 60.54 C ATOM 825 CG LYS A 51 -8.788 11.869 3.791 1.00 4.34 C ATOM 826 CD LYS A 51 -9.568 13.174 3.801 1.00 44.44 C ATOM 827 CE LYS A 51 -9.084 14.104 4.902 1.00 4.24 C ATOM 828 NZ LYS A 51 -10.114 15.115 5.266 1.00 4.53 N ATOM 0 H LYS A 51 -6.166 11.275 1.036 1.00 71.25 H new ATOM 0 HA LYS A 51 -7.374 9.823 3.313 1.00 75.41 H new ATOM 0 HB2 LYS A 51 -8.020 12.276 1.838 1.00 60.54 H new ATOM 0 HB3 LYS A 51 -9.370 11.159 1.860 1.00 60.54 H new ATOM 0 HG2 LYS A 51 -9.372 11.091 4.283 1.00 4.34 H new ATOM 0 HG3 LYS A 51 -7.869 11.989 4.365 1.00 4.34 H new ATOM 0 HD2 LYS A 51 -9.465 13.668 2.835 1.00 44.44 H new ATOM 0 HD3 LYS A 51 -10.628 12.964 3.941 1.00 44.44 H new ATOM 0 HE2 LYS A 51 -8.823 13.518 5.783 1.00 4.24 H new ATOM 0 HE3 LYS A 51 -8.176 14.612 4.576 1.00 4.24 H new ATOM 0 HZ1 LYS A 51 -9.746 15.730 6.020 1.00 4.53 H new ATOM 0 HZ2 LYS A 51 -10.345 15.691 4.431 1.00 4.53 H new ATOM 0 HZ3 LYS A 51 -10.972 14.632 5.602 1.00 4.53 H new ATOM 842 N LYS A 52 -8.835 8.282 1.923 1.00 43.32 N ATOM 843 CA LYS A 52 -9.423 7.206 1.135 1.00 52.51 C ATOM 844 C LYS A 52 -9.897 7.721 -0.221 1.00 51.14 C ATOM 845 O LYS A 52 -10.229 8.897 -0.367 1.00 23.21 O ATOM 846 CB LYS A 52 -10.595 6.575 1.890 1.00 14.21 C ATOM 847 CG LYS A 52 -11.317 7.543 2.812 1.00 4.12 C ATOM 848 CD LYS A 52 -11.838 8.752 2.054 1.00 4.04 C ATOM 849 CE LYS A 52 -12.806 8.344 0.952 1.00 43.40 C ATOM 850 NZ LYS A 52 -13.299 9.520 0.184 1.00 3.11 N ATOM 0 H LYS A 52 -9.104 8.279 2.907 1.00 43.32 H new ATOM 0 HA LYS A 52 -8.656 6.450 0.969 1.00 52.51 H new ATOM 0 HB2 LYS A 52 -11.307 6.174 1.169 1.00 14.21 H new ATOM 0 HB3 LYS A 52 -10.227 5.733 2.477 1.00 14.21 H new ATOM 0 HG2 LYS A 52 -12.148 7.032 3.299 1.00 4.12 H new ATOM 0 HG3 LYS A 52 -10.639 7.871 3.600 1.00 4.12 H new ATOM 0 HD2 LYS A 52 -12.338 9.429 2.746 1.00 4.04 H new ATOM 0 HD3 LYS A 52 -11.001 9.300 1.620 1.00 4.04 H new ATOM 0 HE2 LYS A 52 -12.312 7.648 0.274 1.00 43.40 H new ATOM 0 HE3 LYS A 52 -13.653 7.815 1.390 1.00 43.40 H new ATOM 0 HZ1 LYS A 52 -13.955 9.201 -0.557 1.00 3.11 H new ATOM 0 HZ2 LYS A 52 -13.793 10.172 0.826 1.00 3.11 H new ATOM 0 HZ3 LYS A 52 -12.494 10.010 -0.255 1.00 3.11 H new ATOM 864 N ASN A 53 -9.928 6.832 -1.209 1.00 2.12 N ATOM 865 CA ASN A 53 -10.361 7.197 -2.553 1.00 15.03 C ATOM 866 C ASN A 53 -9.626 8.441 -3.042 1.00 54.14 C ATOM 867 O ASN A 53 -10.249 9.439 -3.402 1.00 21.13 O ATOM 868 CB ASN A 53 -11.872 7.442 -2.574 1.00 14.32 C ATOM 869 CG ASN A 53 -12.430 7.492 -3.983 1.00 24.31 C ATOM 870 OD1 ASN A 53 -11.696 7.726 -4.945 1.00 31.24 O ATOM 871 ND2 ASN A 53 -13.733 7.274 -4.112 1.00 31.01 N ATOM 0 H ASN A 53 -9.658 5.854 -1.104 1.00 2.12 H new ATOM 0 HA ASN A 53 -10.124 6.370 -3.222 1.00 15.03 H new ATOM 0 HB2 ASN A 53 -12.373 6.652 -2.015 1.00 14.32 H new ATOM 0 HB3 ASN A 53 -12.092 8.381 -2.065 1.00 14.32 H new ATOM 0 HD21 ASN A 53 -14.165 7.296 -5.036 1.00 31.01 H new ATOM 0 HD22 ASN A 53 -14.302 7.084 -3.287 1.00 31.01 H new ATOM 878 N GLU A 54 -8.299 8.371 -3.055 1.00 73.34 N ATOM 879 CA GLU A 54 -7.479 9.491 -3.501 1.00 12.30 C ATOM 880 C GLU A 54 -6.469 9.041 -4.552 1.00 52.43 C ATOM 881 O GLU A 54 -5.771 8.043 -4.371 1.00 3.33 O ATOM 882 CB GLU A 54 -6.749 10.122 -2.313 1.00 31.31 C ATOM 883 CG GLU A 54 -5.751 11.196 -2.713 1.00 75.11 C ATOM 884 CD GLU A 54 -5.986 12.508 -1.991 1.00 4.13 C ATOM 885 OE1 GLU A 54 -7.164 12.868 -1.782 1.00 32.11 O ATOM 886 OE2 GLU A 54 -4.993 13.176 -1.634 1.00 21.42 O ATOM 0 H GLU A 54 -7.769 7.550 -2.762 1.00 73.34 H new ATOM 0 HA GLU A 54 -8.138 10.234 -3.950 1.00 12.30 H new ATOM 0 HB2 GLU A 54 -7.484 10.555 -1.634 1.00 31.31 H new ATOM 0 HB3 GLU A 54 -6.227 9.340 -1.761 1.00 31.31 H new ATOM 0 HG2 GLU A 54 -4.741 10.845 -2.502 1.00 75.11 H new ATOM 0 HG3 GLU A 54 -5.812 11.361 -3.789 1.00 75.11 H new ATOM 893 N ARG A 55 -6.398 9.784 -5.652 1.00 2.35 N ATOM 894 CA ARG A 55 -5.476 9.462 -6.733 1.00 23.11 C ATOM 895 C ARG A 55 -4.330 10.467 -6.788 1.00 1.42 C ATOM 896 O ARG A 55 -4.508 11.647 -6.483 1.00 75.10 O ATOM 897 CB ARG A 55 -6.214 9.441 -8.073 1.00 25.03 C ATOM 898 CG ARG A 55 -7.243 10.550 -8.218 1.00 74.14 C ATOM 899 CD ARG A 55 -7.858 10.560 -9.610 1.00 32.25 C ATOM 900 NE ARG A 55 -7.791 11.883 -10.226 1.00 75.44 N ATOM 901 CZ ARG A 55 -8.327 12.171 -11.408 1.00 64.55 C ATOM 902 NH1 ARG A 55 -8.964 11.233 -12.097 1.00 21.13 N ATOM 903 NH2 ARG A 55 -8.222 13.397 -11.903 1.00 11.01 N ATOM 0 H ARG A 55 -6.969 10.613 -5.817 1.00 2.35 H new ATOM 0 HA ARG A 55 -5.061 8.473 -6.539 1.00 23.11 H new ATOM 0 HB2 ARG A 55 -5.486 9.524 -8.880 1.00 25.03 H new ATOM 0 HB3 ARG A 55 -6.711 8.478 -8.190 1.00 25.03 H new ATOM 0 HG2 ARG A 55 -8.028 10.419 -7.473 1.00 74.14 H new ATOM 0 HG3 ARG A 55 -6.772 11.513 -8.020 1.00 74.14 H new ATOM 0 HD2 ARG A 55 -7.339 9.839 -10.241 1.00 32.25 H new ATOM 0 HD3 ARG A 55 -8.898 10.240 -9.550 1.00 32.25 H new ATOM 0 HE ARG A 55 -7.307 12.626 -9.722 1.00 75.44 H new ATOM 0 HH11 ARG A 55 -9.043 10.289 -11.720 1.00 21.13 H new ATOM 0 HH12 ARG A 55 -9.374 11.456 -13.004 1.00 21.13 H new ATOM 0 HH21 ARG A 55 -7.730 14.119 -11.377 1.00 11.01 H new ATOM 0 HH22 ARG A 55 -8.633 13.618 -12.810 1.00 11.01 H new ATOM 917 N LEU A 56 -3.151 9.993 -7.177 1.00 14.41 N ATOM 918 CA LEU A 56 -1.974 10.849 -7.271 1.00 54.01 C ATOM 919 C LEU A 56 -1.068 10.407 -8.415 1.00 50.25 C ATOM 920 O LEU A 56 -1.338 9.407 -9.082 1.00 41.30 O ATOM 921 CB LEU A 56 -1.197 10.829 -5.954 1.00 13.13 C ATOM 922 CG LEU A 56 -1.593 11.890 -4.925 1.00 42.25 C ATOM 923 CD1 LEU A 56 -2.728 11.384 -4.047 1.00 41.50 C ATOM 924 CD2 LEU A 56 -0.392 12.282 -4.076 1.00 33.21 C ATOM 0 H LEU A 56 -2.985 9.020 -7.433 1.00 14.41 H new ATOM 0 HA LEU A 56 -2.311 11.866 -7.471 1.00 54.01 H new ATOM 0 HB2 LEU A 56 -1.319 9.846 -5.498 1.00 13.13 H new ATOM 0 HB3 LEU A 56 -0.137 10.947 -6.179 1.00 13.13 H new ATOM 0 HG LEU A 56 -1.941 12.775 -5.458 1.00 42.25 H new ATOM 0 HD11 LEU A 56 -2.996 12.152 -3.321 1.00 41.50 H new ATOM 0 HD12 LEU A 56 -3.593 11.153 -4.668 1.00 41.50 H new ATOM 0 HD13 LEU A 56 -2.408 10.484 -3.522 1.00 41.50 H new ATOM 0 HD21 LEU A 56 -0.691 13.037 -3.349 1.00 33.21 H new ATOM 0 HD22 LEU A 56 -0.015 11.404 -3.552 1.00 33.21 H new ATOM 0 HD23 LEU A 56 0.391 12.686 -4.718 1.00 33.21 H new ATOM 936 N TRP A 57 0.006 11.156 -8.637 1.00 51.11 N ATOM 937 CA TRP A 57 0.954 10.839 -9.699 1.00 14.01 C ATOM 938 C TRP A 57 2.091 9.972 -9.173 1.00 42.03 C ATOM 939 O TRP A 57 2.894 10.416 -8.351 1.00 61.14 O ATOM 940 CB TRP A 57 1.514 12.124 -10.311 1.00 60.20 C ATOM 941 CG TRP A 57 0.578 12.779 -11.280 1.00 54.43 C ATOM 942 CD1 TRP A 57 0.742 12.888 -12.631 1.00 44.04 C ATOM 943 CD2 TRP A 57 -0.666 13.417 -10.973 1.00 72.41 C ATOM 944 NE1 TRP A 57 -0.325 13.556 -13.183 1.00 71.33 N ATOM 945 CE2 TRP A 57 -1.203 13.889 -12.187 1.00 24.10 C ATOM 946 CE3 TRP A 57 -1.380 13.632 -9.791 1.00 24.24 C ATOM 947 CZ2 TRP A 57 -2.420 14.565 -12.249 1.00 4.30 C ATOM 948 CZ3 TRP A 57 -2.586 14.303 -9.855 1.00 10.20 C ATOM 949 CH2 TRP A 57 -3.095 14.762 -11.077 1.00 14.24 C ATOM 0 H TRP A 57 0.242 11.987 -8.096 1.00 51.11 H new ATOM 0 HA TRP A 57 0.424 10.280 -10.470 1.00 14.01 H new ATOM 0 HB2 TRP A 57 1.747 12.827 -9.511 1.00 60.20 H new ATOM 0 HB3 TRP A 57 2.451 11.897 -10.819 1.00 60.20 H new ATOM 0 HD1 TRP A 57 1.586 12.505 -13.185 1.00 44.04 H new ATOM 0 HE1 TRP A 57 -0.443 13.769 -14.173 1.00 71.33 H new ATOM 0 HE3 TRP A 57 -0.996 13.280 -8.845 1.00 24.24 H new ATOM 0 HZ2 TRP A 57 -2.815 14.920 -13.189 1.00 4.30 H new ATOM 0 HZ3 TRP A 57 -3.146 14.477 -8.948 1.00 10.20 H new ATOM 0 HH2 TRP A 57 -4.041 15.283 -11.093 1.00 14.24 H new ATOM 960 N LEU A 58 2.158 8.734 -9.652 1.00 41.11 N ATOM 961 CA LEU A 58 3.200 7.804 -9.230 1.00 32.21 C ATOM 962 C LEU A 58 4.572 8.274 -9.701 1.00 23.03 C ATOM 963 O LEU A 58 4.806 8.437 -10.899 1.00 1.32 O ATOM 964 CB LEU A 58 2.912 6.404 -9.774 1.00 13.23 C ATOM 965 CG LEU A 58 2.634 5.323 -8.731 1.00 33.45 C ATOM 966 CD1 LEU A 58 2.501 3.961 -9.394 1.00 50.13 C ATOM 967 CD2 LEU A 58 3.734 5.300 -7.680 1.00 20.22 C ATOM 0 H LEU A 58 1.503 8.351 -10.333 1.00 41.11 H new ATOM 0 HA LEU A 58 3.203 7.769 -8.141 1.00 32.21 H new ATOM 0 HB2 LEU A 58 2.053 6.465 -10.442 1.00 13.23 H new ATOM 0 HB3 LEU A 58 3.763 6.088 -10.377 1.00 13.23 H new ATOM 0 HG LEU A 58 1.691 5.557 -8.237 1.00 33.45 H new ATOM 0 HD11 LEU A 58 2.303 3.204 -8.635 1.00 50.13 H new ATOM 0 HD12 LEU A 58 1.678 3.983 -10.108 1.00 50.13 H new ATOM 0 HD13 LEU A 58 3.427 3.718 -9.916 1.00 50.13 H new ATOM 0 HD21 LEU A 58 3.519 4.524 -6.945 1.00 20.22 H new ATOM 0 HD22 LEU A 58 4.691 5.091 -8.159 1.00 20.22 H new ATOM 0 HD23 LEU A 58 3.781 6.268 -7.182 1.00 20.22 H new ATOM 979 N LEU A 59 5.476 8.488 -8.752 1.00 42.22 N ATOM 980 CA LEU A 59 6.827 8.937 -9.069 1.00 62.12 C ATOM 981 C LEU A 59 7.793 7.757 -9.131 1.00 71.23 C ATOM 982 O LEU A 59 8.245 7.367 -10.209 1.00 32.25 O ATOM 983 CB LEU A 59 7.308 9.949 -8.028 1.00 43.02 C ATOM 984 CG LEU A 59 6.441 11.197 -7.855 1.00 53.12 C ATOM 985 CD1 LEU A 59 7.110 12.184 -6.912 1.00 74.44 C ATOM 986 CD2 LEU A 59 6.165 11.845 -9.204 1.00 1.03 C ATOM 0 H LEU A 59 5.298 8.358 -7.756 1.00 42.22 H new ATOM 0 HA LEU A 59 6.803 9.416 -10.048 1.00 62.12 H new ATOM 0 HB2 LEU A 59 7.379 9.444 -7.065 1.00 43.02 H new ATOM 0 HB3 LEU A 59 8.316 10.265 -8.297 1.00 43.02 H new ATOM 0 HG LEU A 59 5.488 10.898 -7.417 1.00 53.12 H new ATOM 0 HD11 LEU A 59 6.479 13.066 -6.801 1.00 74.44 H new ATOM 0 HD12 LEU A 59 7.255 11.716 -5.938 1.00 74.44 H new ATOM 0 HD13 LEU A 59 8.077 12.479 -7.320 1.00 74.44 H new ATOM 0 HD21 LEU A 59 5.547 12.731 -9.062 1.00 1.03 H new ATOM 0 HD22 LEU A 59 7.108 12.131 -9.670 1.00 1.03 H new ATOM 0 HD23 LEU A 59 5.642 11.137 -9.847 1.00 1.03 H new ATOM 998 N ASP A 60 8.102 7.190 -7.970 1.00 64.13 N ATOM 999 CA ASP A 60 9.011 6.052 -7.893 1.00 14.04 C ATOM 1000 C ASP A 60 8.466 4.986 -6.947 1.00 25.34 C ATOM 1001 O ASP A 60 8.407 5.190 -5.733 1.00 52.13 O ATOM 1002 CB ASP A 60 10.393 6.509 -7.425 1.00 42.12 C ATOM 1003 CG ASP A 60 11.460 6.298 -8.481 1.00 53.53 C ATOM 1004 OD1 ASP A 60 12.222 5.314 -8.370 1.00 20.03 O ATOM 1005 OD2 ASP A 60 11.532 7.117 -9.422 1.00 44.11 O ATOM 0 H ASP A 60 7.737 7.500 -7.069 1.00 64.13 H new ATOM 0 HA ASP A 60 9.098 5.618 -8.889 1.00 14.04 H new ATOM 0 HB2 ASP A 60 10.353 7.565 -7.159 1.00 42.12 H new ATOM 0 HB3 ASP A 60 10.667 5.963 -6.522 1.00 42.12 H new ATOM 1011 N ASP A 61 8.069 3.851 -7.508 1.00 41.02 N ATOM 1012 CA ASP A 61 7.529 2.752 -6.717 1.00 21.11 C ATOM 1013 C ASP A 61 8.369 1.490 -6.892 1.00 2.34 C ATOM 1014 O ASP A 61 7.999 0.584 -7.639 1.00 21.04 O ATOM 1015 CB ASP A 61 6.080 2.473 -7.113 1.00 34.21 C ATOM 1016 CG ASP A 61 5.833 2.683 -8.594 1.00 61.41 C ATOM 1017 OD1 ASP A 61 5.658 1.678 -9.314 1.00 15.10 O ATOM 1018 OD2 ASP A 61 5.816 3.851 -9.032 1.00 12.13 O ATOM 0 H ASP A 61 8.111 3.667 -8.510 1.00 41.02 H new ATOM 0 HA ASP A 61 7.561 3.045 -5.668 1.00 21.11 H new ATOM 0 HB2 ASP A 61 5.825 1.447 -6.847 1.00 34.21 H new ATOM 0 HB3 ASP A 61 5.419 3.124 -6.542 1.00 34.21 H new ATOM 1024 N SER A 62 9.504 1.440 -6.201 1.00 21.04 N ATOM 1025 CA SER A 62 10.400 0.293 -6.283 1.00 73.24 C ATOM 1026 C SER A 62 10.393 -0.497 -4.979 1.00 23.54 C ATOM 1027 O SER A 62 10.237 -1.719 -4.977 1.00 51.51 O ATOM 1028 CB SER A 62 11.822 0.752 -6.608 1.00 51.04 C ATOM 1029 OG SER A 62 12.153 0.468 -7.957 1.00 50.33 O ATOM 0 H SER A 62 9.824 2.181 -5.578 1.00 21.04 H new ATOM 0 HA SER A 62 10.045 -0.357 -7.082 1.00 73.24 H new ATOM 0 HB2 SER A 62 11.913 1.823 -6.426 1.00 51.04 H new ATOM 0 HB3 SER A 62 12.529 0.254 -5.944 1.00 51.04 H new ATOM 0 HG SER A 62 13.066 0.772 -8.141 1.00 50.33 H new ATOM 1035 N LYS A 63 10.566 0.210 -3.866 1.00 35.02 N ATOM 1036 CA LYS A 63 10.578 -0.423 -2.552 1.00 12.40 C ATOM 1037 C LYS A 63 9.168 -0.525 -1.982 1.00 13.53 C ATOM 1038 O LYS A 63 8.205 -0.060 -2.594 1.00 30.12 O ATOM 1039 CB LYS A 63 11.472 0.367 -1.592 1.00 14.42 C ATOM 1040 CG LYS A 63 12.947 0.026 -1.714 1.00 54.04 C ATOM 1041 CD LYS A 63 13.824 1.234 -1.438 1.00 33.04 C ATOM 1042 CE LYS A 63 15.018 0.870 -0.567 1.00 13.14 C ATOM 1043 NZ LYS A 63 16.277 1.488 -1.067 1.00 2.42 N ATOM 0 H LYS A 63 10.700 1.221 -3.848 1.00 35.02 H new ATOM 0 HA LYS A 63 10.977 -1.431 -2.666 1.00 12.40 H new ATOM 0 HB2 LYS A 63 11.338 1.433 -1.778 1.00 14.42 H new ATOM 0 HB3 LYS A 63 11.148 0.178 -0.569 1.00 14.42 H new ATOM 0 HG2 LYS A 63 13.196 -0.772 -1.015 1.00 54.04 H new ATOM 0 HG3 LYS A 63 13.152 -0.352 -2.716 1.00 54.04 H new ATOM 0 HD2 LYS A 63 14.175 1.653 -2.381 1.00 33.04 H new ATOM 0 HD3 LYS A 63 13.235 2.007 -0.945 1.00 33.04 H new ATOM 0 HE2 LYS A 63 14.834 1.197 0.456 1.00 13.14 H new ATOM 0 HE3 LYS A 63 15.131 -0.214 -0.540 1.00 13.14 H new ATOM 0 HZ1 LYS A 63 17.067 1.217 -0.447 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 16.466 1.156 -2.034 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 16.179 2.523 -1.069 1.00 2.42 H new ATOM 1057 N THR A 64 9.051 -1.133 -0.806 1.00 63.23 N ATOM 1058 CA THR A 64 7.757 -1.296 -0.155 1.00 44.23 C ATOM 1059 C THR A 64 6.972 0.012 -0.158 1.00 71.45 C ATOM 1060 O THR A 64 5.756 0.015 -0.351 1.00 64.25 O ATOM 1061 CB THR A 64 7.918 -1.780 1.299 1.00 41.54 C ATOM 1062 OG1 THR A 64 6.725 -1.506 2.042 1.00 55.43 O ATOM 1063 CG2 THR A 64 9.105 -1.103 1.967 1.00 61.33 C ATOM 0 H THR A 64 9.837 -1.521 -0.285 1.00 63.23 H new ATOM 0 HA THR A 64 7.209 -2.048 -0.723 1.00 44.23 H new ATOM 0 HB THR A 64 8.096 -2.855 1.283 1.00 41.54 H new ATOM 0 HG1 THR A 64 5.947 -1.835 1.545 1.00 55.43 H new ATOM 0 HG21 THR A 64 9.198 -1.461 2.992 1.00 61.33 H new ATOM 0 HG22 THR A 64 10.016 -1.339 1.416 1.00 61.33 H new ATOM 0 HG23 THR A 64 8.953 -0.024 1.972 1.00 61.33 H new ATOM 1071 N TRP A 65 7.675 1.118 0.055 1.00 54.50 N ATOM 1072 CA TRP A 65 7.042 2.433 0.075 1.00 21.22 C ATOM 1073 C TRP A 65 7.131 3.100 -1.293 1.00 34.25 C ATOM 1074 O TRP A 65 8.169 3.046 -1.954 1.00 34.23 O ATOM 1075 CB TRP A 65 7.698 3.321 1.134 1.00 33.44 C ATOM 1076 CG TRP A 65 7.193 3.063 2.521 1.00 53.41 C ATOM 1077 CD1 TRP A 65 7.348 1.919 3.250 1.00 25.45 C ATOM 1078 CD2 TRP A 65 6.448 3.969 3.343 1.00 73.53 C ATOM 1079 NE1 TRP A 65 6.745 2.058 4.478 1.00 10.22 N ATOM 1080 CE2 TRP A 65 6.186 3.307 4.560 1.00 51.13 C ATOM 1081 CE3 TRP A 65 5.978 5.273 3.172 1.00 54.53 C ATOM 1082 CZ2 TRP A 65 5.475 3.908 5.595 1.00 62.12 C ATOM 1083 CZ3 TRP A 65 5.272 5.868 4.200 1.00 65.41 C ATOM 1084 CH2 TRP A 65 5.028 5.186 5.401 1.00 52.33 C ATOM 0 H TRP A 65 8.682 1.132 0.216 1.00 54.50 H new ATOM 0 HA TRP A 65 5.990 2.299 0.325 1.00 21.22 H new ATOM 0 HB2 TRP A 65 8.776 3.164 1.113 1.00 33.44 H new ATOM 0 HB3 TRP A 65 7.523 4.367 0.880 1.00 33.44 H new ATOM 0 HD1 TRP A 65 7.868 1.035 2.912 1.00 25.45 H new ATOM 0 HE1 TRP A 65 6.718 1.347 5.209 1.00 10.22 H new ATOM 0 HE3 TRP A 65 6.163 5.807 2.252 1.00 54.53 H new ATOM 0 HZ2 TRP A 65 5.283 3.383 6.519 1.00 62.12 H new ATOM 0 HZ3 TRP A 65 4.902 6.875 4.077 1.00 65.41 H new ATOM 0 HH2 TRP A 65 4.477 5.679 6.188 1.00 52.33 H new ATOM 1095 N TRP A 66 6.038 3.728 -1.711 1.00 22.00 N ATOM 1096 CA TRP A 66 5.994 4.407 -3.001 1.00 53.42 C ATOM 1097 C TRP A 66 5.896 5.918 -2.818 1.00 43.31 C ATOM 1098 O TRP A 66 5.427 6.398 -1.786 1.00 52.51 O ATOM 1099 CB TRP A 66 4.808 3.904 -3.826 1.00 22.33 C ATOM 1100 CG TRP A 66 4.857 2.430 -4.097 1.00 12.24 C ATOM 1101 CD1 TRP A 66 5.908 1.589 -3.868 1.00 24.20 C ATOM 1102 CD2 TRP A 66 3.810 1.626 -4.650 1.00 55.02 C ATOM 1103 NE1 TRP A 66 5.578 0.310 -4.246 1.00 60.43 N ATOM 1104 CE2 TRP A 66 4.295 0.306 -4.728 1.00 61.22 C ATOM 1105 CE3 TRP A 66 2.509 1.891 -5.087 1.00 22.22 C ATOM 1106 CZ2 TRP A 66 3.526 -0.743 -5.224 1.00 54.44 C ATOM 1107 CZ3 TRP A 66 1.746 0.850 -5.579 1.00 12.21 C ATOM 1108 CH2 TRP A 66 2.255 -0.453 -5.645 1.00 63.44 C ATOM 0 H TRP A 66 5.171 3.781 -1.176 1.00 22.00 H new ATOM 0 HA TRP A 66 6.919 4.183 -3.533 1.00 53.42 H new ATOM 0 HB2 TRP A 66 3.883 4.139 -3.300 1.00 22.33 H new ATOM 0 HB3 TRP A 66 4.781 4.440 -4.775 1.00 22.33 H new ATOM 0 HD1 TRP A 66 6.859 1.886 -3.451 1.00 24.20 H new ATOM 0 HE1 TRP A 66 6.189 -0.504 -4.179 1.00 60.43 H new ATOM 0 HE3 TRP A 66 2.107 2.892 -5.041 1.00 22.22 H new ATOM 0 HZ2 TRP A 66 3.917 -1.748 -5.275 1.00 54.44 H new ATOM 0 HZ3 TRP A 66 0.739 1.044 -5.919 1.00 12.21 H new ATOM 0 HH2 TRP A 66 1.633 -1.245 -6.036 1.00 63.44 H new ATOM 1119 N ARG A 67 6.344 6.661 -3.825 1.00 12.23 N ATOM 1120 CA ARG A 67 6.306 8.119 -3.774 1.00 54.21 C ATOM 1121 C ARG A 67 5.427 8.679 -4.888 1.00 50.33 C ATOM 1122 O ARG A 67 5.618 8.363 -6.063 1.00 24.03 O ATOM 1123 CB ARG A 67 7.720 8.689 -3.888 1.00 41.34 C ATOM 1124 CG ARG A 67 7.754 10.192 -4.116 1.00 42.00 C ATOM 1125 CD ARG A 67 8.954 10.832 -3.434 1.00 71.20 C ATOM 1126 NE ARG A 67 8.682 11.149 -2.034 1.00 44.00 N ATOM 1127 CZ ARG A 67 9.392 12.021 -1.327 1.00 62.15 C ATOM 1128 NH1 ARG A 67 10.410 12.660 -1.886 1.00 11.12 N ATOM 1129 NH2 ARG A 67 9.083 12.256 -0.058 1.00 3.13 N ATOM 0 H ARG A 67 6.737 6.279 -4.685 1.00 12.23 H new ATOM 0 HA ARG A 67 5.878 8.415 -2.816 1.00 54.21 H new ATOM 0 HB2 ARG A 67 8.271 8.456 -2.977 1.00 41.34 H new ATOM 0 HB3 ARG A 67 8.237 8.194 -4.710 1.00 41.34 H new ATOM 0 HG2 ARG A 67 7.789 10.398 -5.186 1.00 42.00 H new ATOM 0 HG3 ARG A 67 6.836 10.640 -3.735 1.00 42.00 H new ATOM 0 HD2 ARG A 67 9.808 10.157 -3.494 1.00 71.20 H new ATOM 0 HD3 ARG A 67 9.230 11.743 -3.965 1.00 71.20 H new ATOM 0 HE ARG A 67 7.905 10.675 -1.574 1.00 44.00 H new ATOM 0 HH11 ARG A 67 10.650 12.483 -2.861 1.00 11.12 H new ATOM 0 HH12 ARG A 67 10.953 13.329 -1.341 1.00 11.12 H new ATOM 0 HH21 ARG A 67 8.300 11.767 0.375 1.00 3.13 H new ATOM 0 HH22 ARG A 67 9.629 12.926 0.484 1.00 3.13 H new ATOM 1143 N VAL A 68 4.464 9.513 -4.512 1.00 13.52 N ATOM 1144 CA VAL A 68 3.556 10.120 -5.478 1.00 15.50 C ATOM 1145 C VAL A 68 3.413 11.618 -5.235 1.00 63.53 C ATOM 1146 O VAL A 68 3.921 12.147 -4.246 1.00 22.42 O ATOM 1147 CB VAL A 68 2.162 9.467 -5.425 1.00 71.14 C ATOM 1148 CG1 VAL A 68 2.253 7.985 -5.757 1.00 63.14 C ATOM 1149 CG2 VAL A 68 1.528 9.677 -4.059 1.00 13.45 C ATOM 0 H VAL A 68 4.292 9.784 -3.544 1.00 13.52 H new ATOM 0 HA VAL A 68 3.989 9.956 -6.465 1.00 15.50 H new ATOM 0 HB VAL A 68 1.528 9.944 -6.172 1.00 71.14 H new ATOM 0 HG11 VAL A 68 1.258 7.541 -5.714 1.00 63.14 H new ATOM 0 HG12 VAL A 68 2.663 7.861 -6.759 1.00 63.14 H new ATOM 0 HG13 VAL A 68 2.903 7.490 -5.035 1.00 63.14 H new ATOM 0 HG21 VAL A 68 0.544 9.209 -4.039 1.00 13.45 H new ATOM 0 HG22 VAL A 68 2.159 9.228 -3.292 1.00 13.45 H new ATOM 0 HG23 VAL A 68 1.426 10.745 -3.865 1.00 13.45 H new ATOM 1159 N ARG A 69 2.718 12.295 -6.142 1.00 60.22 N ATOM 1160 CA ARG A 69 2.507 13.733 -6.025 1.00 20.10 C ATOM 1161 C ARG A 69 1.027 14.079 -6.157 1.00 30.34 C ATOM 1162 O ARG A 69 0.306 13.476 -6.951 1.00 64.11 O ATOM 1163 CB ARG A 69 3.313 14.476 -7.093 1.00 62.32 C ATOM 1164 CG ARG A 69 3.202 15.989 -6.996 1.00 53.23 C ATOM 1165 CD ARG A 69 2.667 16.591 -8.287 1.00 4.23 C ATOM 1166 NE ARG A 69 3.734 17.154 -9.110 1.00 11.33 N ATOM 1167 CZ ARG A 69 3.565 17.532 -10.373 1.00 41.13 C ATOM 1168 NH1 ARG A 69 2.379 17.407 -10.953 1.00 22.31 N ATOM 1169 NH2 ARG A 69 4.583 18.036 -11.057 1.00 42.54 N ATOM 0 H ARG A 69 2.291 11.871 -6.966 1.00 60.22 H new ATOM 0 HA ARG A 69 2.848 14.046 -5.038 1.00 20.10 H new ATOM 0 HB2 ARG A 69 4.362 14.191 -7.009 1.00 62.32 H new ATOM 0 HB3 ARG A 69 2.974 14.158 -8.079 1.00 62.32 H new ATOM 0 HG2 ARG A 69 2.544 16.255 -6.169 1.00 53.23 H new ATOM 0 HG3 ARG A 69 4.181 16.414 -6.773 1.00 53.23 H new ATOM 0 HD2 ARG A 69 2.138 15.824 -8.853 1.00 4.23 H new ATOM 0 HD3 ARG A 69 1.942 17.370 -8.051 1.00 4.23 H new ATOM 0 HE ARG A 69 4.659 17.263 -8.693 1.00 11.33 H new ATOM 0 HH11 ARG A 69 1.594 17.020 -10.430 1.00 22.31 H new ATOM 0 HH12 ARG A 69 2.252 17.698 -11.922 1.00 22.31 H new ATOM 0 HH21 ARG A 69 5.497 18.134 -10.614 1.00 42.54 H new ATOM 0 HH22 ARG A 69 4.453 18.326 -12.026 1.00 42.54 H new ATOM 1183 N ASN A 70 0.581 15.054 -5.372 1.00 54.32 N ATOM 1184 CA ASN A 70 -0.814 15.480 -5.400 1.00 23.11 C ATOM 1185 C ASN A 70 -0.998 16.681 -6.323 1.00 40.13 C ATOM 1186 O ASN A 70 -0.048 17.141 -6.957 1.00 2.01 O ATOM 1187 CB ASN A 70 -1.290 15.831 -3.989 1.00 73.14 C ATOM 1188 CG ASN A 70 -0.210 16.501 -3.163 1.00 52.11 C ATOM 1189 OD1 ASN A 70 0.836 15.910 -2.891 1.00 35.05 O ATOM 1190 ND2 ASN A 70 -0.459 17.741 -2.761 1.00 4.21 N ATOM 0 H ASN A 70 1.165 15.564 -4.709 1.00 54.32 H new ATOM 0 HA ASN A 70 -1.412 14.654 -5.784 1.00 23.11 H new ATOM 0 HB2 ASN A 70 -2.155 16.491 -4.054 1.00 73.14 H new ATOM 0 HB3 ASN A 70 -1.619 14.923 -3.483 1.00 73.14 H new ATOM 0 HD21 ASN A 70 0.230 18.244 -2.203 1.00 4.21 H new ATOM 0 HD22 ASN A 70 -1.340 18.191 -3.010 1.00 4.21 H new ATOM 1197 N ALA A 71 -2.226 17.184 -6.393 1.00 10.22 N ATOM 1198 CA ALA A 71 -2.533 18.334 -7.236 1.00 34.13 C ATOM 1199 C ALA A 71 -1.881 19.601 -6.695 1.00 1.41 C ATOM 1200 O ALA A 71 -1.822 20.621 -7.381 1.00 71.23 O ATOM 1201 CB ALA A 71 -4.040 18.518 -7.346 1.00 13.34 C ATOM 0 H ALA A 71 -3.024 16.814 -5.877 1.00 10.22 H new ATOM 0 HA ALA A 71 -2.127 18.145 -8.230 1.00 34.13 H new ATOM 0 HB1 ALA A 71 -4.256 19.380 -7.978 1.00 13.34 H new ATOM 0 HB2 ALA A 71 -4.484 17.625 -7.786 1.00 13.34 H new ATOM 0 HB3 ALA A 71 -4.460 18.681 -6.354 1.00 13.34 H new ATOM 1207 N ALA A 72 -1.393 19.531 -5.460 1.00 74.05 N ATOM 1208 CA ALA A 72 -0.745 20.672 -4.829 1.00 45.44 C ATOM 1209 C ALA A 72 0.740 20.722 -5.177 1.00 54.41 C ATOM 1210 O ALA A 72 1.498 21.499 -4.598 1.00 74.14 O ATOM 1211 CB ALA A 72 -0.932 20.619 -3.321 1.00 52.12 C ATOM 0 H ALA A 72 -1.435 18.695 -4.877 1.00 74.05 H new ATOM 0 HA ALA A 72 -1.213 21.580 -5.211 1.00 45.44 H new ATOM 0 HB1 ALA A 72 -0.442 21.478 -2.863 1.00 52.12 H new ATOM 0 HB2 ALA A 72 -1.996 20.640 -3.085 1.00 52.12 H new ATOM 0 HB3 ALA A 72 -0.492 19.701 -2.932 1.00 52.12 H new ATOM 1217 N ASN A 73 1.149 19.887 -6.128 1.00 11.12 N ATOM 1218 CA ASN A 73 2.542 19.836 -6.552 1.00 1.41 C ATOM 1219 C ASN A 73 3.439 19.353 -5.417 1.00 70.23 C ATOM 1220 O ASN A 73 4.660 19.493 -5.474 1.00 24.24 O ATOM 1221 CB ASN A 73 3.004 21.214 -7.030 1.00 25.33 C ATOM 1222 CG ASN A 73 1.887 22.001 -7.690 1.00 63.04 C ATOM 1223 OD1 ASN A 73 1.271 22.866 -7.068 1.00 12.34 O ATOM 1224 ND2 ASN A 73 1.622 21.701 -8.956 1.00 12.21 N ATOM 0 H ASN A 73 0.535 19.237 -6.619 1.00 11.12 H new ATOM 0 HA ASN A 73 2.617 19.129 -7.378 1.00 1.41 H new ATOM 0 HB2 ASN A 73 3.391 21.779 -6.182 1.00 25.33 H new ATOM 0 HB3 ASN A 73 3.826 21.094 -7.735 1.00 25.33 H new ATOM 0 HD21 ASN A 73 0.881 22.196 -9.453 1.00 12.21 H new ATOM 0 HD22 ASN A 73 2.159 20.976 -9.432 1.00 12.21 H new ATOM 1231 N ARG A 74 2.824 18.782 -4.386 1.00 72.15 N ATOM 1232 CA ARG A 74 3.566 18.279 -3.236 1.00 72.23 C ATOM 1233 C ARG A 74 3.936 16.811 -3.430 1.00 33.52 C ATOM 1234 O ARG A 74 3.170 16.035 -4.002 1.00 72.24 O ATOM 1235 CB ARG A 74 2.742 18.443 -1.958 1.00 12.33 C ATOM 1236 CG ARG A 74 3.579 18.439 -0.689 1.00 32.12 C ATOM 1237 CD ARG A 74 3.519 19.782 0.023 1.00 41.33 C ATOM 1238 NE ARG A 74 4.132 20.847 -0.768 1.00 1.23 N ATOM 1239 CZ ARG A 74 4.213 22.109 -0.361 1.00 51.23 C ATOM 1240 NH1 ARG A 74 3.723 22.461 0.819 1.00 14.04 N ATOM 1241 NH2 ARG A 74 4.785 23.022 -1.136 1.00 70.02 N ATOM 0 H ARG A 74 1.814 18.656 -4.324 1.00 72.15 H new ATOM 0 HA ARG A 74 4.484 18.860 -3.145 1.00 72.23 H new ATOM 0 HB2 ARG A 74 2.185 19.378 -2.013 1.00 12.33 H new ATOM 0 HB3 ARG A 74 2.009 17.638 -1.902 1.00 12.33 H new ATOM 0 HG2 ARG A 74 3.224 17.655 -0.020 1.00 32.12 H new ATOM 0 HG3 ARG A 74 4.614 18.203 -0.935 1.00 32.12 H new ATOM 0 HD2 ARG A 74 2.480 20.037 0.231 1.00 41.33 H new ATOM 0 HD3 ARG A 74 4.027 19.706 0.985 1.00 41.33 H new ATOM 0 HE ARG A 74 4.518 20.609 -1.681 1.00 1.23 H new ATOM 0 HH11 ARG A 74 3.282 21.762 1.417 1.00 14.04 H new ATOM 0 HH12 ARG A 74 3.787 23.431 1.129 1.00 14.04 H new ATOM 0 HH21 ARG A 74 5.163 22.755 -2.045 1.00 70.02 H new ATOM 0 HH22 ARG A 74 4.847 23.991 -0.823 1.00 70.02 H new ATOM 1255 N THR A 75 5.117 16.435 -2.946 1.00 54.01 N ATOM 1256 CA THR A 75 5.590 15.062 -3.067 1.00 4.01 C ATOM 1257 C THR A 75 5.956 14.485 -1.704 1.00 73.51 C ATOM 1258 O THR A 75 6.644 15.129 -0.912 1.00 34.45 O ATOM 1259 CB THR A 75 6.815 14.969 -3.996 1.00 73.04 C ATOM 1260 OG1 THR A 75 7.684 16.084 -3.774 1.00 3.34 O ATOM 1261 CG2 THR A 75 6.384 14.937 -5.455 1.00 10.45 C ATOM 0 H THR A 75 5.763 17.063 -2.467 1.00 54.01 H new ATOM 0 HA THR A 75 4.773 14.483 -3.497 1.00 4.01 H new ATOM 0 HB THR A 75 7.347 14.045 -3.770 1.00 73.04 H new ATOM 0 HG1 THR A 75 8.461 16.016 -4.367 1.00 3.34 H new ATOM 0 HG21 THR A 75 7.265 14.871 -6.093 1.00 10.45 H new ATOM 0 HG22 THR A 75 5.746 14.070 -5.627 1.00 10.45 H new ATOM 0 HG23 THR A 75 5.832 15.847 -5.691 1.00 10.45 H new ATOM 1269 N GLY A 76 5.492 13.268 -1.438 1.00 43.20 N ATOM 1270 CA GLY A 76 5.783 12.625 -0.169 1.00 1.20 C ATOM 1271 C GLY A 76 5.885 11.118 -0.294 1.00 60.41 C ATOM 1272 O GLY A 76 5.906 10.579 -1.400 1.00 44.20 O ATOM 0 H GLY A 76 4.920 12.716 -2.077 1.00 43.20 H new ATOM 0 HA2 GLY A 76 6.719 13.018 0.228 1.00 1.20 H new ATOM 0 HA3 GLY A 76 5.002 12.875 0.549 1.00 1.20 H new ATOM 1276 N TYR A 77 5.951 10.436 0.844 1.00 63.54 N ATOM 1277 CA TYR A 77 6.056 8.982 0.859 1.00 44.44 C ATOM 1278 C TYR A 77 4.814 8.350 1.479 1.00 12.53 C ATOM 1279 O TYR A 77 4.158 8.950 2.331 1.00 23.12 O ATOM 1280 CB TYR A 77 7.303 8.546 1.633 1.00 54.13 C ATOM 1281 CG TYR A 77 8.574 8.607 0.816 1.00 21.02 C ATOM 1282 CD1 TYR A 77 8.740 7.811 -0.309 1.00 54.43 C ATOM 1283 CD2 TYR A 77 9.610 9.462 1.172 1.00 31.13 C ATOM 1284 CE1 TYR A 77 9.901 7.863 -1.057 1.00 14.31 C ATOM 1285 CE2 TYR A 77 10.774 9.521 0.429 1.00 13.35 C ATOM 1286 CZ TYR A 77 10.914 8.720 -0.683 1.00 72.04 C ATOM 1287 OH TYR A 77 12.072 8.776 -1.426 1.00 12.44 O ATOM 0 H TYR A 77 5.934 10.867 1.768 1.00 63.54 H new ATOM 0 HA TYR A 77 6.138 8.641 -0.173 1.00 44.44 H new ATOM 0 HB2 TYR A 77 7.415 9.181 2.512 1.00 54.13 H new ATOM 0 HB3 TYR A 77 7.160 7.527 1.992 1.00 54.13 H new ATOM 0 HD1 TYR A 77 7.948 7.139 -0.605 1.00 54.43 H new ATOM 0 HD2 TYR A 77 9.504 10.091 2.044 1.00 31.13 H new ATOM 0 HE1 TYR A 77 10.014 7.236 -1.929 1.00 14.31 H new ATOM 0 HE2 TYR A 77 11.570 10.192 0.719 1.00 13.35 H new ATOM 0 HH TYR A 77 12.684 9.430 -1.029 1.00 12.44 H new ATOM 1297 N VAL A 78 4.494 7.136 1.043 1.00 65.34 N ATOM 1298 CA VAL A 78 3.332 6.422 1.555 1.00 53.15 C ATOM 1299 C VAL A 78 3.505 4.913 1.411 1.00 62.23 C ATOM 1300 O VAL A 78 4.137 4.423 0.474 1.00 53.24 O ATOM 1301 CB VAL A 78 2.043 6.850 0.826 1.00 63.12 C ATOM 1302 CG1 VAL A 78 1.589 8.220 1.306 1.00 70.21 C ATOM 1303 CG2 VAL A 78 2.259 6.848 -0.680 1.00 75.22 C ATOM 0 H VAL A 78 5.024 6.627 0.336 1.00 65.34 H new ATOM 0 HA VAL A 78 3.246 6.676 2.611 1.00 53.15 H new ATOM 0 HB VAL A 78 1.257 6.131 1.059 1.00 63.12 H new ATOM 0 HG11 VAL A 78 0.678 8.506 0.781 1.00 70.21 H new ATOM 0 HG12 VAL A 78 1.394 8.184 2.378 1.00 70.21 H new ATOM 0 HG13 VAL A 78 2.370 8.953 1.104 1.00 70.21 H new ATOM 0 HG21 VAL A 78 1.339 7.152 -1.180 1.00 75.22 H new ATOM 0 HG22 VAL A 78 3.058 7.545 -0.934 1.00 75.22 H new ATOM 0 HG23 VAL A 78 2.535 5.845 -1.007 1.00 75.22 H new ATOM 1313 N PRO A 79 2.934 4.159 2.361 1.00 72.45 N ATOM 1314 CA PRO A 79 3.011 2.695 2.363 1.00 54.24 C ATOM 1315 C PRO A 79 2.194 2.070 1.236 1.00 33.12 C ATOM 1316 O PRO A 79 0.994 2.317 1.116 1.00 62.00 O ATOM 1317 CB PRO A 79 2.426 2.310 3.723 1.00 42.32 C ATOM 1318 CG PRO A 79 1.530 3.443 4.085 1.00 2.43 C ATOM 1319 CD PRO A 79 2.167 4.676 3.507 1.00 53.52 C ATOM 0 HA PRO A 79 4.030 2.341 2.206 1.00 54.24 H new ATOM 0 HB2 PRO A 79 1.874 1.372 3.665 1.00 42.32 H new ATOM 0 HB3 PRO A 79 3.211 2.173 4.467 1.00 42.32 H new ATOM 0 HG2 PRO A 79 0.529 3.294 3.679 1.00 2.43 H new ATOM 0 HG3 PRO A 79 1.426 3.528 5.167 1.00 2.43 H new ATOM 0 HD2 PRO A 79 1.420 5.405 3.194 1.00 53.52 H new ATOM 0 HD3 PRO A 79 2.813 5.172 4.232 1.00 53.52 H new ATOM 1327 N SER A 80 2.851 1.260 0.413 1.00 44.24 N ATOM 1328 CA SER A 80 2.187 0.602 -0.706 1.00 60.33 C ATOM 1329 C SER A 80 1.060 -0.299 -0.214 1.00 73.41 C ATOM 1330 O SER A 80 0.178 -0.684 -0.981 1.00 64.14 O ATOM 1331 CB SER A 80 3.194 -0.217 -1.515 1.00 71.54 C ATOM 1332 OG SER A 80 2.543 -0.977 -2.519 1.00 64.51 O ATOM 0 H SER A 80 3.844 1.043 0.500 1.00 44.24 H new ATOM 0 HA SER A 80 1.759 1.373 -1.347 1.00 60.33 H new ATOM 0 HB2 SER A 80 3.924 0.449 -1.975 1.00 71.54 H new ATOM 0 HB3 SER A 80 3.744 -0.883 -0.850 1.00 71.54 H new ATOM 0 HG SER A 80 2.623 -0.517 -3.381 1.00 64.51 H new ATOM 1338 N ASN A 81 1.094 -0.631 1.073 1.00 31.20 N ATOM 1339 CA ASN A 81 0.075 -1.488 1.669 1.00 42.10 C ATOM 1340 C ASN A 81 -1.253 -0.750 1.792 1.00 15.15 C ATOM 1341 O ASN A 81 -2.322 -1.360 1.749 1.00 3.04 O ATOM 1342 CB ASN A 81 0.530 -1.974 3.047 1.00 42.04 C ATOM 1343 CG ASN A 81 1.506 -3.132 2.959 1.00 41.54 C ATOM 1344 OD1 ASN A 81 2.114 -3.367 1.914 1.00 1.14 O ATOM 1345 ND2 ASN A 81 1.660 -3.861 4.058 1.00 74.04 N ATOM 0 H ASN A 81 1.816 -0.320 1.723 1.00 31.20 H new ATOM 0 HA ASN A 81 -0.067 -2.349 1.015 1.00 42.10 H new ATOM 0 HB2 ASN A 81 0.997 -1.149 3.584 1.00 42.04 H new ATOM 0 HB3 ASN A 81 -0.341 -2.280 3.627 1.00 42.04 H new ATOM 0 HD21 ASN A 81 2.303 -4.653 4.059 1.00 74.04 H new ATOM 0 HD22 ASN A 81 1.135 -3.629 4.901 1.00 74.04 H new ATOM 1352 N TYR A 82 -1.180 0.568 1.943 1.00 2.32 N ATOM 1353 CA TYR A 82 -2.376 1.391 2.073 1.00 22.33 C ATOM 1354 C TYR A 82 -2.756 2.015 0.735 1.00 13.24 C ATOM 1355 O TYR A 82 -3.699 2.803 0.648 1.00 2.33 O ATOM 1356 CB TYR A 82 -2.155 2.489 3.115 1.00 60.11 C ATOM 1357 CG TYR A 82 -2.033 1.965 4.529 1.00 21.14 C ATOM 1358 CD1 TYR A 82 -0.843 1.410 4.985 1.00 73.13 C ATOM 1359 CD2 TYR A 82 -3.106 2.026 5.408 1.00 35.40 C ATOM 1360 CE1 TYR A 82 -0.729 0.930 6.275 1.00 65.11 C ATOM 1361 CE2 TYR A 82 -2.999 1.551 6.701 1.00 34.31 C ATOM 1362 CZ TYR A 82 -1.808 1.003 7.129 1.00 64.02 C ATOM 1363 OH TYR A 82 -1.699 0.526 8.416 1.00 45.35 O ATOM 0 H TYR A 82 -0.304 1.089 1.978 1.00 2.32 H new ATOM 0 HA TYR A 82 -3.194 0.748 2.399 1.00 22.33 H new ATOM 0 HB2 TYR A 82 -1.250 3.042 2.862 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -2.984 3.195 3.068 1.00 60.11 H new ATOM 0 HD1 TYR A 82 0.006 1.353 4.320 1.00 73.13 H new ATOM 0 HD2 TYR A 82 -4.041 2.452 5.075 1.00 35.40 H new ATOM 0 HE1 TYR A 82 0.202 0.499 6.613 1.00 65.11 H new ATOM 0 HE2 TYR A 82 -3.843 1.608 7.372 1.00 34.31 H new ATOM 0 HH TYR A 82 -1.934 -0.425 8.433 1.00 45.35 H new ATOM 1373 N VAL A 83 -2.016 1.656 -0.310 1.00 54.43 N ATOM 1374 CA VAL A 83 -2.276 2.178 -1.646 1.00 72.04 C ATOM 1375 C VAL A 83 -2.367 1.051 -2.668 1.00 1.50 C ATOM 1376 O VAL A 83 -1.859 -0.046 -2.443 1.00 61.02 O ATOM 1377 CB VAL A 83 -1.180 3.168 -2.084 1.00 44.14 C ATOM 1378 CG1 VAL A 83 -0.064 2.438 -2.818 1.00 73.24 C ATOM 1379 CG2 VAL A 83 -1.771 4.266 -2.956 1.00 11.21 C ATOM 0 H VAL A 83 -1.232 1.006 -0.256 1.00 54.43 H new ATOM 0 HA VAL A 83 -3.231 2.701 -1.602 1.00 72.04 H new ATOM 0 HB VAL A 83 -0.756 3.631 -1.193 1.00 44.14 H new ATOM 0 HG11 VAL A 83 0.701 3.153 -3.120 1.00 73.24 H new ATOM 0 HG12 VAL A 83 0.377 1.691 -2.158 1.00 73.24 H new ATOM 0 HG13 VAL A 83 -0.471 1.947 -3.702 1.00 73.24 H new ATOM 0 HG21 VAL A 83 -0.983 4.956 -3.256 1.00 11.21 H new ATOM 0 HG22 VAL A 83 -2.222 3.822 -3.844 1.00 11.21 H new ATOM 0 HG23 VAL A 83 -2.532 4.807 -2.394 1.00 11.21 H new ATOM 1389 N GLU A 84 -3.018 1.331 -3.794 1.00 24.51 N ATOM 1390 CA GLU A 84 -3.176 0.339 -4.852 1.00 23.53 C ATOM 1391 C GLU A 84 -3.517 1.010 -6.179 1.00 51.24 C ATOM 1392 O GLU A 84 -4.556 1.653 -6.312 1.00 55.43 O ATOM 1393 CB GLU A 84 -4.268 -0.666 -4.480 1.00 72.52 C ATOM 1394 CG GLU A 84 -4.641 -1.605 -5.613 1.00 74.45 C ATOM 1395 CD GLU A 84 -6.067 -1.405 -6.093 1.00 4.32 C ATOM 1396 OE1 GLU A 84 -6.964 -1.246 -5.239 1.00 63.33 O ATOM 1397 OE2 GLU A 84 -6.284 -1.406 -7.323 1.00 43.32 O ATOM 0 H GLU A 84 -3.444 2.235 -3.997 1.00 24.51 H new ATOM 0 HA GLU A 84 -2.229 -0.190 -4.964 1.00 23.53 H new ATOM 0 HB2 GLU A 84 -3.932 -1.255 -3.627 1.00 72.52 H new ATOM 0 HB3 GLU A 84 -5.158 -0.122 -4.162 1.00 72.52 H new ATOM 0 HG2 GLU A 84 -3.956 -1.452 -6.447 1.00 74.45 H new ATOM 0 HG3 GLU A 84 -4.514 -2.636 -5.282 1.00 74.45 H new ATOM 1404 N ARG A 85 -2.631 0.853 -7.159 1.00 14.32 N ATOM 1405 CA ARG A 85 -2.837 1.444 -8.475 1.00 20.11 C ATOM 1406 C ARG A 85 -4.001 0.773 -9.197 1.00 10.12 C ATOM 1407 O ARG A 85 -4.411 -0.334 -8.844 1.00 22.23 O ATOM 1408 CB ARG A 85 -1.565 1.323 -9.316 1.00 31.24 C ATOM 1409 CG ARG A 85 -1.080 -0.108 -9.484 1.00 53.42 C ATOM 1410 CD ARG A 85 -1.759 -0.791 -10.661 1.00 54.31 C ATOM 1411 NE ARG A 85 -2.495 -1.985 -10.252 1.00 23.45 N ATOM 1412 CZ ARG A 85 -2.851 -2.952 -11.088 1.00 12.42 C ATOM 1413 NH1 ARG A 85 -2.541 -2.867 -12.376 1.00 31.13 N ATOM 1414 NH2 ARG A 85 -3.520 -4.007 -10.640 1.00 65.43 N ATOM 0 H ARG A 85 -1.765 0.322 -7.065 1.00 14.32 H new ATOM 0 HA ARG A 85 -3.076 2.499 -8.338 1.00 20.11 H new ATOM 0 HB2 ARG A 85 -1.748 1.754 -10.300 1.00 31.24 H new ATOM 0 HB3 ARG A 85 -0.775 1.913 -8.852 1.00 31.24 H new ATOM 0 HG2 ARG A 85 -0.000 -0.112 -9.633 1.00 53.42 H new ATOM 0 HG3 ARG A 85 -1.278 -0.670 -8.572 1.00 53.42 H new ATOM 0 HD2 ARG A 85 -2.443 -0.091 -11.141 1.00 54.31 H new ATOM 0 HD3 ARG A 85 -1.009 -1.064 -11.403 1.00 54.31 H new ATOM 0 HE ARG A 85 -2.749 -2.081 -9.269 1.00 23.45 H new ATOM 0 HH11 ARG A 85 -2.028 -2.057 -12.725 1.00 31.13 H new ATOM 0 HH12 ARG A 85 -2.816 -3.611 -13.017 1.00 31.13 H new ATOM 0 HH21 ARG A 85 -3.761 -4.076 -9.651 1.00 65.43 H new ATOM 0 HH22 ARG A 85 -3.793 -4.749 -11.284 1.00 65.43 H new ATOM 1428 N LYS A 86 -4.534 1.450 -10.208 1.00 1.12 N ATOM 1429 CA LYS A 86 -5.652 0.921 -10.981 1.00 64.03 C ATOM 1430 C LYS A 86 -6.826 0.576 -10.071 1.00 54.04 C ATOM 1431 O LYS A 86 -7.773 -0.093 -10.489 1.00 42.11 O ATOM 1432 CB LYS A 86 -5.215 -0.320 -11.762 1.00 32.54 C ATOM 1433 CG LYS A 86 -4.661 -0.006 -13.140 1.00 62.14 C ATOM 1434 CD LYS A 86 -5.741 -0.081 -14.207 1.00 32.02 C ATOM 1435 CE LYS A 86 -5.957 -1.510 -14.684 1.00 40.22 C ATOM 1436 NZ LYS A 86 -5.078 -1.848 -15.837 1.00 14.54 N ATOM 0 H LYS A 86 -4.209 2.368 -10.512 1.00 1.12 H new ATOM 0 HA LYS A 86 -5.974 1.690 -11.683 1.00 64.03 H new ATOM 0 HB2 LYS A 86 -4.457 -0.853 -11.187 1.00 32.54 H new ATOM 0 HB3 LYS A 86 -6.067 -0.992 -11.866 1.00 32.54 H new ATOM 0 HG2 LYS A 86 -4.220 0.991 -13.137 1.00 62.14 H new ATOM 0 HG3 LYS A 86 -3.862 -0.707 -13.380 1.00 62.14 H new ATOM 0 HD2 LYS A 86 -6.675 0.316 -13.809 1.00 32.02 H new ATOM 0 HD3 LYS A 86 -5.462 0.548 -15.053 1.00 32.02 H new ATOM 0 HE2 LYS A 86 -5.761 -2.200 -13.863 1.00 40.22 H new ATOM 0 HE3 LYS A 86 -7.000 -1.643 -14.971 1.00 40.22 H new ATOM 0 HZ1 LYS A 86 -5.255 -2.829 -16.133 1.00 14.54 H new ATOM 0 HZ2 LYS A 86 -5.282 -1.206 -16.629 1.00 14.54 H new ATOM 0 HZ3 LYS A 86 -4.082 -1.745 -15.556 1.00 14.54 H new