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 14 TYR OH : rot 180:sc= -0.445 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.842 K(o=-1.3,f=0.83) USER MOD Single : A 11 ASN : amide:sc= -1.75! C(o=-1.8!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -0.0266 (180deg=-0.896) USER MOD Single : A 40 TYR OH : rot -150:sc= -3.39! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.61) USER MOD Single : A 46 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.66) 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 K(o=0,f=-0.95) 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= -2.01 USER MOD Single : A 70 ASN : amide:sc= -3.44 K(o=-3.4,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.968 K(o=-0.97,f=-5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 80 SER OG : rot -106:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.745 K(o=-0.74,f=-1.8!) USER MOD Single : A 82 TYR OH : rot -56:sc= 1.29 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.907 -3.647 12.294 1.00 32.10 N ATOM 74 CA ARG A 5 -8.170 -2.776 11.387 1.00 44.05 C ATOM 75 C ARG A 5 -6.991 -3.516 10.762 1.00 62.31 C ATOM 76 O ARG A 5 -6.538 -4.547 11.261 1.00 64.00 O ATOM 77 CB ARG A 5 -7.671 -1.537 12.130 1.00 3.43 C ATOM 78 CG ARG A 5 -8.610 -0.346 12.028 1.00 52.14 C ATOM 79 CD ARG A 5 -7.883 0.962 12.295 1.00 62.22 C ATOM 80 NE ARG A 5 -8.773 1.981 12.845 1.00 15.12 N ATOM 81 CZ ARG A 5 -9.305 1.913 14.061 1.00 2.25 C ATOM 82 NH1 ARG A 5 -9.037 0.883 14.849 1.00 24.45 N ATOM 83 NH2 ARG A 5 -10.107 2.881 14.490 1.00 41.01 N ATOM 0 HA ARG A 5 -8.846 -2.466 10.591 1.00 44.05 H new ATOM 0 HB2 ARG A 5 -7.528 -1.787 13.181 1.00 3.43 H new ATOM 0 HB3 ARG A 5 -6.695 -1.255 11.734 1.00 3.43 H new ATOM 0 HG2 ARG A 5 -9.057 -0.318 11.034 1.00 52.14 H new ATOM 0 HG3 ARG A 5 -9.426 -0.462 12.742 1.00 52.14 H new ATOM 0 HD2 ARG A 5 -7.062 0.785 12.990 1.00 62.22 H new ATOM 0 HD3 ARG A 5 -7.443 1.328 11.367 1.00 62.22 H new ATOM 0 HE ARG A 5 -8.999 2.789 12.264 1.00 15.12 H new ATOM 0 HH11 ARG A 5 -8.420 0.139 14.523 1.00 24.45 H new ATOM 0 HH12 ARG A 5 -9.447 0.834 15.782 1.00 24.45 H new ATOM 0 HH21 ARG A 5 -10.315 3.676 13.886 1.00 41.01 H new ATOM 0 HH22 ARG A 5 -10.515 2.829 15.423 1.00 41.01 H new ATOM 97 N PRO A 6 -6.482 -2.982 9.642 1.00 5.13 N ATOM 98 CA PRO A 6 -5.349 -3.574 8.926 1.00 52.42 C ATOM 99 C PRO A 6 -4.041 -3.445 9.699 1.00 44.12 C ATOM 100 O PRO A 6 -3.946 -2.718 10.688 1.00 31.51 O ATOM 101 CB PRO A 6 -5.286 -2.762 7.629 1.00 72.02 C ATOM 102 CG PRO A 6 -5.909 -1.453 7.971 1.00 74.31 C ATOM 103 CD PRO A 6 -6.972 -1.755 8.991 1.00 23.12 C ATOM 0 HA PRO A 6 -5.481 -4.645 8.770 1.00 52.42 H new ATOM 0 HB2 PRO A 6 -4.258 -2.635 7.291 1.00 72.02 H new ATOM 0 HB3 PRO A 6 -5.827 -3.259 6.824 1.00 72.02 H new ATOM 0 HG2 PRO A 6 -5.168 -0.761 8.372 1.00 74.31 H new ATOM 0 HG3 PRO A 6 -6.339 -0.982 7.087 1.00 74.31 H new ATOM 0 HD2 PRO A 6 -7.087 -0.940 9.705 1.00 23.12 H new ATOM 0 HD3 PRO A 6 -7.945 -1.909 8.524 1.00 23.12 H new ATOM 111 N PRO A 7 -3.007 -4.165 9.239 1.00 60.22 N ATOM 112 CA PRO A 7 -1.686 -4.148 9.872 1.00 2.53 C ATOM 113 C PRO A 7 -0.969 -2.816 9.680 1.00 30.15 C ATOM 114 O PRO A 7 -1.379 -1.972 8.884 1.00 71.31 O ATOM 115 CB PRO A 7 -0.932 -5.269 9.153 1.00 23.34 C ATOM 116 CG PRO A 7 -1.601 -5.385 7.828 1.00 72.44 C ATOM 117 CD PRO A 7 -3.049 -5.053 8.065 1.00 52.33 C ATOM 0 HA PRO A 7 -1.750 -4.284 10.952 1.00 2.53 H new ATOM 0 HB2 PRO A 7 0.125 -5.028 9.043 1.00 23.34 H new ATOM 0 HB3 PRO A 7 -0.989 -6.205 9.709 1.00 23.34 H new ATOM 0 HG2 PRO A 7 -1.157 -4.701 7.105 1.00 72.44 H new ATOM 0 HG3 PRO A 7 -1.492 -6.391 7.423 1.00 72.44 H new ATOM 0 HD2 PRO A 7 -3.494 -4.558 7.202 1.00 52.33 H new ATOM 0 HD3 PRO A 7 -3.640 -5.948 8.259 1.00 52.33 H new ATOM 125 N PRO A 8 0.127 -2.619 10.428 1.00 41.03 N ATOM 126 CA PRO A 8 0.925 -1.392 10.357 1.00 2.52 C ATOM 127 C PRO A 8 1.681 -1.267 9.038 1.00 24.44 C ATOM 128 O PRO A 8 1.583 -2.135 8.171 1.00 35.02 O ATOM 129 CB PRO A 8 1.904 -1.536 11.524 1.00 41.25 C ATOM 130 CG PRO A 8 2.020 -3.005 11.742 1.00 51.42 C ATOM 131 CD PRO A 8 0.674 -3.582 11.399 1.00 20.34 C ATOM 0 HA PRO A 8 0.303 -0.498 10.413 1.00 2.52 H new ATOM 0 HB2 PRO A 8 2.871 -1.093 11.286 1.00 41.25 H new ATOM 0 HB3 PRO A 8 1.533 -1.031 12.416 1.00 41.25 H new ATOM 0 HG2 PRO A 8 2.800 -3.433 11.112 1.00 51.42 H new ATOM 0 HG3 PRO A 8 2.288 -3.226 12.775 1.00 51.42 H new ATOM 0 HD2 PRO A 8 0.762 -4.580 10.969 1.00 20.34 H new ATOM 0 HD3 PRO A 8 0.038 -3.670 12.280 1.00 20.34 H new ATOM 139 N VAL A 9 2.436 -0.182 8.895 1.00 53.23 N ATOM 140 CA VAL A 9 3.211 0.055 7.684 1.00 52.34 C ATOM 141 C VAL A 9 4.140 -1.118 7.387 1.00 2.11 C ATOM 142 O VAL A 9 4.693 -1.747 8.289 1.00 74.33 O ATOM 143 CB VAL A 9 4.048 1.343 7.795 1.00 31.32 C ATOM 144 CG1 VAL A 9 3.168 2.570 7.600 1.00 32.20 C ATOM 145 CG2 VAL A 9 4.764 1.398 9.136 1.00 52.54 C ATOM 0 H VAL A 9 2.527 0.546 9.603 1.00 53.23 H new ATOM 0 HA VAL A 9 2.496 0.165 6.868 1.00 52.34 H new ATOM 0 HB VAL A 9 4.801 1.336 7.007 1.00 31.32 H new ATOM 0 HG11 VAL A 9 3.776 3.471 7.682 1.00 32.20 H new ATOM 0 HG12 VAL A 9 2.705 2.533 6.614 1.00 32.20 H new ATOM 0 HG13 VAL A 9 2.391 2.586 8.365 1.00 32.20 H new ATOM 0 HG21 VAL A 9 5.351 2.314 9.198 1.00 52.54 H new ATOM 0 HG22 VAL A 9 4.030 1.382 9.941 1.00 52.54 H new ATOM 0 HG23 VAL A 9 5.425 0.537 9.231 1.00 52.54 H new ATOM 155 N PRO A 10 4.318 -1.418 6.091 1.00 24.02 N ATOM 156 CA PRO A 10 5.182 -2.515 5.646 1.00 41.32 C ATOM 157 C PRO A 10 6.660 -2.223 5.882 1.00 74.11 C ATOM 158 O PRO A 10 7.407 -1.955 4.943 1.00 24.24 O ATOM 159 CB PRO A 10 4.889 -2.610 4.147 1.00 51.34 C ATOM 160 CG PRO A 10 4.422 -1.247 3.765 1.00 50.04 C ATOM 161 CD PRO A 10 3.692 -0.709 4.964 1.00 52.31 C ATOM 0 HA PRO A 10 4.984 -3.437 6.193 1.00 41.32 H new ATOM 0 HB2 PRO A 10 5.780 -2.895 3.587 1.00 51.34 H new ATOM 0 HB3 PRO A 10 4.128 -3.362 3.939 1.00 51.34 H new ATOM 0 HG2 PRO A 10 5.263 -0.606 3.500 1.00 50.04 H new ATOM 0 HG3 PRO A 10 3.767 -1.288 2.895 1.00 50.04 H new ATOM 0 HD2 PRO A 10 3.809 0.371 5.054 1.00 52.31 H new ATOM 0 HD3 PRO A 10 2.622 -0.910 4.907 1.00 52.31 H new ATOM 169 N ASN A 11 7.074 -2.278 7.144 1.00 43.11 N ATOM 170 CA ASN A 11 8.464 -2.019 7.504 1.00 41.24 C ATOM 171 C ASN A 11 9.047 -0.896 6.650 1.00 32.32 C ATOM 172 O ASN A 11 9.704 -1.131 5.636 1.00 21.21 O ATOM 173 CB ASN A 11 9.301 -3.289 7.336 1.00 60.33 C ATOM 174 CG ASN A 11 8.913 -4.078 6.101 1.00 53.14 C ATOM 175 OD1 ASN A 11 8.033 -4.937 6.151 1.00 31.32 O ATOM 176 ND2 ASN A 11 9.569 -3.789 4.983 1.00 64.40 N ATOM 0 H ASN A 11 6.468 -2.499 7.934 1.00 43.11 H new ATOM 0 HA ASN A 11 8.491 -1.709 8.549 1.00 41.24 H new ATOM 0 HB2 ASN A 11 10.356 -3.020 7.276 1.00 60.33 H new ATOM 0 HB3 ASN A 11 9.182 -3.918 8.218 1.00 60.33 H new ATOM 0 HD21 ASN A 11 9.350 -4.287 4.120 1.00 64.40 H new ATOM 0 HD22 ASN A 11 10.291 -3.069 4.987 1.00 64.40 H new ATOM 183 N PRO A 12 8.802 0.354 7.071 1.00 54.23 N ATOM 184 CA PRO A 12 9.293 1.538 6.360 1.00 24.54 C ATOM 185 C PRO A 12 10.807 1.693 6.470 1.00 23.34 C ATOM 186 O PRO A 12 11.382 1.510 7.543 1.00 30.42 O ATOM 187 CB PRO A 12 8.584 2.696 7.069 1.00 42.34 C ATOM 188 CG PRO A 12 8.286 2.179 8.434 1.00 3.04 C ATOM 189 CD PRO A 12 8.026 0.707 8.272 1.00 52.23 C ATOM 0 HA PRO A 12 9.089 1.486 5.290 1.00 24.54 H new ATOM 0 HB2 PRO A 12 9.218 3.582 7.111 1.00 42.34 H new ATOM 0 HB3 PRO A 12 7.671 2.981 6.546 1.00 42.34 H new ATOM 0 HG2 PRO A 12 9.123 2.355 9.109 1.00 3.04 H new ATOM 0 HG3 PRO A 12 7.420 2.683 8.862 1.00 3.04 H new ATOM 0 HD2 PRO A 12 8.356 0.142 9.144 1.00 52.23 H new ATOM 0 HD3 PRO A 12 6.964 0.499 8.140 1.00 52.23 H new ATOM 197 N ASP A 13 11.444 2.031 5.356 1.00 64.13 N ATOM 198 CA ASP A 13 12.891 2.212 5.328 1.00 73.35 C ATOM 199 C ASP A 13 13.260 3.553 4.699 1.00 74.45 C ATOM 200 O ASP A 13 14.357 3.719 4.167 1.00 23.03 O ATOM 201 CB ASP A 13 13.555 1.072 4.554 1.00 15.42 C ATOM 202 CG ASP A 13 14.636 0.378 5.358 1.00 31.21 C ATOM 203 OD1 ASP A 13 14.292 -0.337 6.323 1.00 50.31 O ATOM 204 OD2 ASP A 13 15.826 0.547 5.022 1.00 45.54 O ATOM 0 H ASP A 13 10.982 2.185 4.460 1.00 64.13 H new ATOM 0 HA ASP A 13 13.253 2.202 6.356 1.00 73.35 H new ATOM 0 HB2 ASP A 13 12.797 0.344 4.265 1.00 15.42 H new ATOM 0 HB3 ASP A 13 13.987 1.465 3.634 1.00 15.42 H new ATOM 210 N TYR A 14 12.334 4.503 4.760 1.00 23.41 N ATOM 211 CA TYR A 14 12.559 5.827 4.194 1.00 0.31 C ATOM 212 C TYR A 14 13.499 6.645 5.076 1.00 52.13 C ATOM 213 O TYR A 14 14.078 7.635 4.634 1.00 51.32 O ATOM 214 CB TYR A 14 11.231 6.565 4.024 1.00 61.12 C ATOM 215 CG TYR A 14 10.384 6.586 5.278 1.00 44.32 C ATOM 216 CD1 TYR A 14 10.795 7.289 6.403 1.00 22.44 C ATOM 217 CD2 TYR A 14 9.177 5.902 5.337 1.00 54.24 C ATOM 218 CE1 TYR A 14 10.025 7.311 7.551 1.00 21.45 C ATOM 219 CE2 TYR A 14 8.402 5.918 6.480 1.00 73.02 C ATOM 220 CZ TYR A 14 8.830 6.625 7.584 1.00 31.51 C ATOM 221 OH TYR A 14 8.060 6.642 8.725 1.00 12.53 O ATOM 0 H TYR A 14 11.420 4.381 5.196 1.00 23.41 H new ATOM 0 HA TYR A 14 13.025 5.701 3.217 1.00 0.31 H new ATOM 0 HB2 TYR A 14 11.432 7.591 3.714 1.00 61.12 H new ATOM 0 HB3 TYR A 14 10.664 6.095 3.221 1.00 61.12 H new ATOM 0 HD1 TYR A 14 11.731 7.827 6.381 1.00 22.44 H new ATOM 0 HD2 TYR A 14 8.838 5.348 4.474 1.00 54.24 H new ATOM 0 HE1 TYR A 14 10.358 7.863 8.418 1.00 21.45 H new ATOM 0 HE2 TYR A 14 7.466 5.380 6.509 1.00 73.02 H new ATOM 0 HH TYR A 14 7.250 6.110 8.581 1.00 12.53 H new ATOM 491 N GLU A 31 4.093 8.124 -16.814 1.00 45.45 N ATOM 492 CA GLU A 31 2.805 8.711 -16.465 1.00 72.44 C ATOM 493 C GLU A 31 1.905 7.682 -15.788 1.00 53.21 C ATOM 494 O GLU A 31 0.985 7.143 -16.405 1.00 11.14 O ATOM 495 CB GLU A 31 2.115 9.265 -17.714 1.00 64.25 C ATOM 496 CG GLU A 31 2.781 10.511 -18.275 1.00 70.21 C ATOM 497 CD GLU A 31 2.359 11.773 -17.550 1.00 11.24 C ATOM 498 OE1 GLU A 31 2.971 12.095 -16.511 1.00 72.33 O ATOM 499 OE2 GLU A 31 1.416 12.441 -18.024 1.00 75.22 O ATOM 0 HA GLU A 31 2.985 9.528 -15.766 1.00 72.44 H new ATOM 0 HB2 GLU A 31 2.101 8.493 -18.483 1.00 64.25 H new ATOM 0 HB3 GLU A 31 1.077 9.495 -17.474 1.00 64.25 H new ATOM 0 HG2 GLU A 31 3.863 10.402 -18.207 1.00 70.21 H new ATOM 0 HG3 GLU A 31 2.536 10.605 -19.333 1.00 70.21 H new ATOM 506 N VAL A 32 2.177 7.411 -14.516 1.00 71.22 N ATOM 507 CA VAL A 32 1.392 6.448 -13.754 1.00 63.34 C ATOM 508 C VAL A 32 0.616 7.133 -12.635 1.00 71.53 C ATOM 509 O VAL A 32 0.997 8.206 -12.169 1.00 2.32 O ATOM 510 CB VAL A 32 2.287 5.350 -13.146 1.00 30.33 C ATOM 511 CG1 VAL A 32 1.440 4.200 -12.621 1.00 63.22 C ATOM 512 CG2 VAL A 32 3.295 4.856 -14.172 1.00 61.42 C ATOM 0 H VAL A 32 2.936 7.845 -13.991 1.00 71.22 H new ATOM 0 HA VAL A 32 0.690 5.990 -14.451 1.00 63.34 H new ATOM 0 HB VAL A 32 2.837 5.777 -12.307 1.00 30.33 H new ATOM 0 HG11 VAL A 32 2.089 3.435 -12.196 1.00 63.22 H new ATOM 0 HG12 VAL A 32 0.762 4.569 -11.852 1.00 63.22 H new ATOM 0 HG13 VAL A 32 0.861 3.771 -13.439 1.00 63.22 H new ATOM 0 HG21 VAL A 32 3.918 4.081 -13.726 1.00 61.42 H new ATOM 0 HG22 VAL A 32 2.767 4.446 -15.033 1.00 61.42 H new ATOM 0 HG23 VAL A 32 3.923 5.687 -14.494 1.00 61.42 H new ATOM 522 N ILE A 33 -0.475 6.503 -12.207 1.00 45.30 N ATOM 523 CA ILE A 33 -1.303 7.053 -11.142 1.00 33.24 C ATOM 524 C ILE A 33 -1.770 5.957 -10.189 1.00 73.34 C ATOM 525 O ILE A 33 -2.218 4.894 -10.619 1.00 42.31 O ATOM 526 CB ILE A 33 -2.535 7.785 -11.707 1.00 3.22 C ATOM 527 CG1 ILE A 33 -2.107 9.058 -12.438 1.00 11.11 C ATOM 528 CG2 ILE A 33 -3.515 8.112 -10.590 1.00 2.43 C ATOM 529 CD1 ILE A 33 -3.252 9.784 -13.109 1.00 52.23 C ATOM 0 H ILE A 33 -0.804 5.613 -12.582 1.00 45.30 H new ATOM 0 HA ILE A 33 -0.685 7.767 -10.598 1.00 33.24 H new ATOM 0 HB ILE A 33 -3.034 7.129 -12.421 1.00 3.22 H new ATOM 0 HG12 ILE A 33 -1.627 9.731 -11.728 1.00 11.11 H new ATOM 0 HG13 ILE A 33 -1.360 8.802 -13.189 1.00 11.11 H new ATOM 0 HG21 ILE A 33 -4.380 8.629 -11.005 1.00 2.43 H new ATOM 0 HG22 ILE A 33 -3.840 7.189 -10.109 1.00 2.43 H new ATOM 0 HG23 ILE A 33 -3.028 8.752 -9.855 1.00 2.43 H new ATOM 0 HD11 ILE A 33 -2.874 10.677 -13.607 1.00 52.23 H new ATOM 0 HD12 ILE A 33 -3.718 9.128 -13.844 1.00 52.23 H new ATOM 0 HD13 ILE A 33 -3.990 10.071 -12.360 1.00 52.23 H new ATOM 541 N VAL A 34 -1.665 6.224 -8.892 1.00 64.31 N ATOM 542 CA VAL A 34 -2.078 5.262 -7.877 1.00 33.01 C ATOM 543 C VAL A 34 -3.332 5.735 -7.150 1.00 40.12 C ATOM 544 O VAL A 34 -3.784 6.864 -7.342 1.00 15.23 O ATOM 545 CB VAL A 34 -0.961 5.020 -6.844 1.00 35.40 C ATOM 546 CG1 VAL A 34 -1.092 5.986 -5.678 1.00 14.14 C ATOM 547 CG2 VAL A 34 -0.989 3.579 -6.358 1.00 31.42 C ATOM 0 H VAL A 34 -1.297 7.099 -8.519 1.00 64.31 H new ATOM 0 HA VAL A 34 -2.292 4.327 -8.396 1.00 33.01 H new ATOM 0 HB VAL A 34 0.000 5.199 -7.326 1.00 35.40 H new ATOM 0 HG11 VAL A 34 -0.294 5.799 -4.959 1.00 14.14 H new ATOM 0 HG12 VAL A 34 -1.018 7.010 -6.044 1.00 14.14 H new ATOM 0 HG13 VAL A 34 -2.058 5.843 -5.193 1.00 14.14 H new ATOM 0 HG21 VAL A 34 -0.193 3.425 -5.629 1.00 31.42 H new ATOM 0 HG22 VAL A 34 -1.953 3.371 -5.893 1.00 31.42 H new ATOM 0 HG23 VAL A 34 -0.841 2.907 -7.203 1.00 31.42 H new ATOM 557 N ILE A 35 -3.890 4.865 -6.317 1.00 22.34 N ATOM 558 CA ILE A 35 -5.092 5.194 -5.559 1.00 24.13 C ATOM 559 C ILE A 35 -4.942 4.802 -4.093 1.00 52.51 C ATOM 560 O ILE A 35 -4.478 3.707 -3.777 1.00 2.43 O ATOM 561 CB ILE A 35 -6.333 4.495 -6.142 1.00 42.33 C ATOM 562 CG1 ILE A 35 -6.338 4.605 -7.669 1.00 11.35 C ATOM 563 CG2 ILE A 35 -7.603 5.096 -5.558 1.00 3.23 C ATOM 564 CD1 ILE A 35 -6.420 6.030 -8.170 1.00 41.41 C ATOM 0 H ILE A 35 -3.530 3.926 -6.149 1.00 22.34 H new ATOM 0 HA ILE A 35 -5.226 6.273 -5.631 1.00 24.13 H new ATOM 0 HB ILE A 35 -6.297 3.439 -5.873 1.00 42.33 H new ATOM 0 HG12 ILE A 35 -5.433 4.141 -8.062 1.00 11.35 H new ATOM 0 HG13 ILE A 35 -7.183 4.040 -8.063 1.00 11.35 H new ATOM 0 HG21 ILE A 35 -8.472 4.591 -5.980 1.00 3.23 H new ATOM 0 HG22 ILE A 35 -7.601 4.970 -4.475 1.00 3.23 H new ATOM 0 HG23 ILE A 35 -7.648 6.158 -5.800 1.00 3.23 H new ATOM 0 HD11 ILE A 35 -6.419 6.033 -9.260 1.00 41.41 H new ATOM 0 HD12 ILE A 35 -7.338 6.491 -7.807 1.00 41.41 H new ATOM 0 HD13 ILE A 35 -5.562 6.594 -7.805 1.00 41.41 H new ATOM 576 N ALA A 36 -5.341 5.705 -3.201 1.00 41.40 N ATOM 577 CA ALA A 36 -5.256 5.452 -1.768 1.00 54.43 C ATOM 578 C ALA A 36 -6.412 4.578 -1.296 1.00 31.54 C ATOM 579 O ALA A 36 -7.566 5.010 -1.281 1.00 23.52 O ATOM 580 CB ALA A 36 -5.235 6.765 -1.001 1.00 13.01 C ATOM 0 H ALA A 36 -5.726 6.617 -3.446 1.00 41.40 H new ATOM 0 HA ALA A 36 -4.327 4.916 -1.572 1.00 54.43 H new ATOM 0 HB1 ALA A 36 -5.171 6.561 0.068 1.00 13.01 H new ATOM 0 HB2 ALA A 36 -4.371 7.353 -1.310 1.00 13.01 H new ATOM 0 HB3 ALA A 36 -6.148 7.323 -1.210 1.00 13.01 H new ATOM 586 N LYS A 37 -6.099 3.347 -0.910 1.00 70.33 N ATOM 587 CA LYS A 37 -7.111 2.410 -0.435 1.00 24.23 C ATOM 588 C LYS A 37 -7.795 2.940 0.822 1.00 64.13 C ATOM 589 O LYS A 37 -8.981 2.697 1.044 1.00 30.23 O ATOM 590 CB LYS A 37 -6.480 1.046 -0.148 1.00 52.42 C ATOM 591 CG LYS A 37 -5.551 0.563 -1.247 1.00 44.40 C ATOM 592 CD LYS A 37 -5.396 -0.948 -1.225 1.00 13.23 C ATOM 593 CE LYS A 37 -4.035 -1.361 -0.687 1.00 55.21 C ATOM 594 NZ LYS A 37 -3.468 -2.513 -1.443 1.00 63.11 N ATOM 0 H LYS A 37 -5.150 2.973 -0.917 1.00 70.33 H new ATOM 0 HA LYS A 37 -7.862 2.298 -1.217 1.00 24.23 H new ATOM 0 HB2 LYS A 37 -5.924 1.102 0.788 1.00 52.42 H new ATOM 0 HB3 LYS A 37 -7.272 0.311 -0.005 1.00 52.42 H new ATOM 0 HG2 LYS A 37 -5.940 0.875 -2.216 1.00 44.40 H new ATOM 0 HG3 LYS A 37 -4.574 1.031 -1.130 1.00 44.40 H new ATOM 0 HD2 LYS A 37 -6.180 -1.386 -0.608 1.00 13.23 H new ATOM 0 HD3 LYS A 37 -5.525 -1.343 -2.233 1.00 13.23 H new ATOM 0 HE2 LYS A 37 -3.349 -0.516 -0.745 1.00 55.21 H new ATOM 0 HE3 LYS A 37 -4.126 -1.627 0.366 1.00 55.21 H new ATOM 0 HZ1 LYS A 37 -2.933 -3.125 -0.794 1.00 63.11 H new ATOM 0 HZ2 LYS A 37 -4.241 -3.059 -1.875 1.00 63.11 H new ATOM 0 HZ3 LYS A 37 -2.834 -2.161 -2.188 1.00 63.11 H new ATOM 608 N TRP A 38 -7.041 3.665 1.639 1.00 24.11 N ATOM 609 CA TRP A 38 -7.575 4.230 2.872 1.00 3.24 C ATOM 610 C TRP A 38 -6.934 5.582 3.175 1.00 70.12 C ATOM 611 O TRP A 38 -6.256 6.161 2.326 1.00 62.41 O ATOM 612 CB TRP A 38 -7.343 3.269 4.040 1.00 13.15 C ATOM 613 CG TRP A 38 -7.221 1.838 3.616 1.00 35.12 C ATOM 614 CD1 TRP A 38 -6.066 1.131 3.437 1.00 13.35 C ATOM 615 CD2 TRP A 38 -8.294 0.939 3.313 1.00 10.24 C ATOM 616 NE1 TRP A 38 -6.356 -0.153 3.044 1.00 14.52 N ATOM 617 CE2 TRP A 38 -7.716 -0.296 2.961 1.00 51.01 C ATOM 618 CE3 TRP A 38 -9.686 1.057 3.309 1.00 25.43 C ATOM 619 CZ2 TRP A 38 -8.483 -1.402 2.606 1.00 73.02 C ATOM 620 CZ3 TRP A 38 -10.446 -0.043 2.957 1.00 31.22 C ATOM 621 CH2 TRP A 38 -9.844 -1.259 2.611 1.00 70.25 C ATOM 0 H TRP A 38 -6.057 3.876 1.470 1.00 24.11 H new ATOM 0 HA TRP A 38 -8.647 4.379 2.740 1.00 3.24 H new ATOM 0 HB2 TRP A 38 -6.436 3.563 4.568 1.00 13.15 H new ATOM 0 HB3 TRP A 38 -8.167 3.362 4.747 1.00 13.15 H new ATOM 0 HD1 TRP A 38 -5.071 1.524 3.583 1.00 13.35 H new ATOM 0 HE1 TRP A 38 -5.670 -0.882 2.846 1.00 14.52 H new ATOM 0 HE3 TRP A 38 -10.160 1.990 3.576 1.00 25.43 H new ATOM 0 HZ2 TRP A 38 -8.020 -2.340 2.336 1.00 73.02 H new ATOM 0 HZ3 TRP A 38 -11.523 0.037 2.949 1.00 31.22 H new ATOM 0 HH2 TRP A 38 -10.466 -2.100 2.343 1.00 70.25 H new ATOM 632 N ASP A 39 -7.153 6.077 4.388 1.00 41.21 N ATOM 633 CA ASP A 39 -6.596 7.358 4.803 1.00 12.23 C ATOM 634 C ASP A 39 -5.456 7.161 5.796 1.00 71.14 C ATOM 635 O ASP A 39 -5.611 6.475 6.807 1.00 71.30 O ATOM 636 CB ASP A 39 -7.684 8.235 5.425 1.00 33.32 C ATOM 637 CG ASP A 39 -8.758 7.420 6.117 1.00 54.13 C ATOM 638 OD1 ASP A 39 -8.407 6.445 6.815 1.00 64.22 O ATOM 639 OD2 ASP A 39 -9.950 7.756 5.962 1.00 13.24 O ATOM 0 H ASP A 39 -7.713 5.610 5.101 1.00 41.21 H new ATOM 0 HA ASP A 39 -6.200 7.856 3.918 1.00 12.23 H new ATOM 0 HB2 ASP A 39 -7.230 8.917 6.144 1.00 33.32 H new ATOM 0 HB3 ASP A 39 -8.141 8.848 4.648 1.00 33.32 H new ATOM 645 N TYR A 40 -4.309 7.762 5.500 1.00 62.42 N ATOM 646 CA TYR A 40 -3.141 7.649 6.365 1.00 72.54 C ATOM 647 C TYR A 40 -2.618 9.027 6.758 1.00 71.24 C ATOM 648 O TYR A 40 -2.613 9.957 5.950 1.00 33.43 O ATOM 649 CB TYR A 40 -2.038 6.852 5.667 1.00 22.22 C ATOM 650 CG TYR A 40 -1.246 5.966 6.601 1.00 24.33 C ATOM 651 CD1 TYR A 40 -1.884 5.045 7.424 1.00 43.24 C ATOM 652 CD2 TYR A 40 0.140 6.052 6.664 1.00 41.03 C ATOM 653 CE1 TYR A 40 -1.163 4.233 8.280 1.00 51.32 C ATOM 654 CE2 TYR A 40 0.867 5.244 7.516 1.00 52.42 C ATOM 655 CZ TYR A 40 0.211 4.337 8.322 1.00 63.53 C ATOM 656 OH TYR A 40 0.933 3.530 9.173 1.00 1.03 O ATOM 0 H TYR A 40 -4.163 8.333 4.667 1.00 62.42 H new ATOM 0 HA TYR A 40 -3.442 7.123 7.271 1.00 72.54 H new ATOM 0 HB2 TYR A 40 -2.485 6.235 4.887 1.00 22.22 H new ATOM 0 HB3 TYR A 40 -1.357 7.546 5.174 1.00 22.22 H new ATOM 0 HD1 TYR A 40 -2.960 4.962 7.394 1.00 43.24 H new ATOM 0 HD2 TYR A 40 0.657 6.763 6.036 1.00 41.03 H new ATOM 0 HE1 TYR A 40 -1.673 3.521 8.912 1.00 51.32 H new ATOM 0 HE2 TYR A 40 1.944 5.322 7.551 1.00 52.42 H new ATOM 0 HH TYR A 40 1.749 3.995 9.451 1.00 1.03 H new ATOM 666 N THR A 41 -2.174 9.151 8.006 1.00 34.15 N ATOM 667 CA THR A 41 -1.649 10.415 8.507 1.00 32.02 C ATOM 668 C THR A 41 -0.127 10.445 8.432 1.00 61.22 C ATOM 669 O THR A 41 0.544 9.514 8.876 1.00 60.01 O ATOM 670 CB THR A 41 -2.085 10.666 9.963 1.00 62.31 C ATOM 671 OG1 THR A 41 -3.508 10.544 10.077 1.00 22.23 O ATOM 672 CG2 THR A 41 -1.651 12.048 10.427 1.00 32.22 C ATOM 0 H THR A 41 -2.168 8.392 8.687 1.00 34.15 H new ATOM 0 HA THR A 41 -2.057 11.202 7.872 1.00 32.02 H new ATOM 0 HB THR A 41 -1.605 9.920 10.596 1.00 62.31 H new ATOM 0 HG1 THR A 41 -3.777 10.703 11.006 1.00 22.23 H new ATOM 0 HG21 THR A 41 -1.970 12.203 11.458 1.00 32.22 H new ATOM 0 HG22 THR A 41 -0.566 12.128 10.367 1.00 32.22 H new ATOM 0 HG23 THR A 41 -2.106 12.806 9.789 1.00 32.22 H new ATOM 680 N ALA A 42 0.411 11.523 7.869 1.00 63.14 N ATOM 681 CA ALA A 42 1.856 11.675 7.740 1.00 74.10 C ATOM 682 C ALA A 42 2.544 11.548 9.093 1.00 22.54 C ATOM 683 O ALA A 42 2.564 12.492 9.882 1.00 2.01 O ATOM 684 CB ALA A 42 2.189 13.014 7.099 1.00 32.14 C ATOM 0 H ALA A 42 -0.131 12.302 7.496 1.00 63.14 H new ATOM 0 HA ALA A 42 2.226 10.875 7.098 1.00 74.10 H new ATOM 0 HB1 ALA A 42 3.271 13.115 7.008 1.00 32.14 H new ATOM 0 HB2 ALA A 42 1.735 13.066 6.109 1.00 32.14 H new ATOM 0 HB3 ALA A 42 1.800 13.821 7.720 1.00 32.14 H new ATOM 690 N GLN A 43 3.110 10.374 9.357 1.00 54.45 N ATOM 691 CA GLN A 43 3.800 10.124 10.617 1.00 72.25 C ATOM 692 C GLN A 43 5.018 11.030 10.759 1.00 73.23 C ATOM 693 O GLN A 43 5.409 11.388 11.869 1.00 73.40 O ATOM 694 CB GLN A 43 4.226 8.657 10.707 1.00 51.35 C ATOM 695 CG GLN A 43 4.925 8.149 9.456 1.00 54.22 C ATOM 696 CD GLN A 43 4.097 7.127 8.699 1.00 1.15 C ATOM 697 OE1 GLN A 43 3.987 5.973 9.110 1.00 71.42 O ATOM 698 NE2 GLN A 43 3.509 7.550 7.585 1.00 24.42 N ATOM 0 H GLN A 43 3.104 9.581 8.715 1.00 54.45 H new ATOM 0 HA GLN A 43 3.110 10.345 11.431 1.00 72.25 H new ATOM 0 HB2 GLN A 43 4.892 8.532 11.561 1.00 51.35 H new ATOM 0 HB3 GLN A 43 3.346 8.043 10.896 1.00 51.35 H new ATOM 0 HG2 GLN A 43 5.145 8.991 8.800 1.00 54.22 H new ATOM 0 HG3 GLN A 43 5.880 7.703 9.734 1.00 54.22 H new ATOM 0 HE21 GLN A 43 3.627 8.516 7.281 1.00 24.42 H new ATOM 0 HE22 GLN A 43 2.939 6.908 7.034 1.00 24.42 H new ATOM 707 N GLN A 44 5.613 11.395 9.629 1.00 44.35 N ATOM 708 CA GLN A 44 6.788 12.258 9.629 1.00 63.55 C ATOM 709 C GLN A 44 6.694 13.306 8.525 1.00 73.44 C ATOM 710 O GLN A 44 5.647 13.469 7.899 1.00 11.41 O ATOM 711 CB GLN A 44 8.059 11.425 9.451 1.00 33.31 C ATOM 712 CG GLN A 44 8.161 10.256 10.419 1.00 41.44 C ATOM 713 CD GLN A 44 9.386 9.399 10.170 1.00 65.23 C ATOM 714 OE1 GLN A 44 10.364 9.851 9.572 1.00 23.40 O ATOM 715 NE2 GLN A 44 9.340 8.153 10.628 1.00 3.01 N ATOM 0 H GLN A 44 5.301 11.107 8.702 1.00 44.35 H new ATOM 0 HA GLN A 44 6.830 12.772 10.590 1.00 63.55 H new ATOM 0 HB2 GLN A 44 8.094 11.045 8.430 1.00 33.31 H new ATOM 0 HB3 GLN A 44 8.928 12.070 9.581 1.00 33.31 H new ATOM 0 HG2 GLN A 44 8.189 10.636 11.440 1.00 41.44 H new ATOM 0 HG3 GLN A 44 7.267 9.639 10.333 1.00 41.44 H new ATOM 0 HE21 GLN A 44 8.510 7.820 11.118 1.00 3.01 H new ATOM 0 HE22 GLN A 44 10.135 7.529 10.490 1.00 3.01 H new ATOM 724 N ASP A 45 7.795 14.013 8.293 1.00 55.03 N ATOM 725 CA ASP A 45 7.837 15.046 7.264 1.00 30.10 C ATOM 726 C ASP A 45 7.981 14.425 5.877 1.00 60.12 C ATOM 727 O ASP A 45 7.415 14.921 4.904 1.00 45.42 O ATOM 728 CB ASP A 45 8.993 16.011 7.527 1.00 1.33 C ATOM 729 CG ASP A 45 8.696 16.976 8.659 1.00 54.22 C ATOM 730 OD1 ASP A 45 9.445 16.968 9.656 1.00 24.42 O ATOM 731 OD2 ASP A 45 7.714 17.739 8.545 1.00 43.41 O ATOM 0 H ASP A 45 8.670 13.890 8.803 1.00 55.03 H new ATOM 0 HA ASP A 45 6.898 15.599 7.300 1.00 30.10 H new ATOM 0 HB2 ASP A 45 9.891 15.441 7.765 1.00 1.33 H new ATOM 0 HB3 ASP A 45 9.205 16.575 6.619 1.00 1.33 H new ATOM 737 N GLN A 46 8.743 13.339 5.797 1.00 11.03 N ATOM 738 CA GLN A 46 8.963 12.652 4.529 1.00 34.13 C ATOM 739 C GLN A 46 7.667 12.033 4.014 1.00 44.41 C ATOM 740 O GLN A 46 7.482 11.875 2.807 1.00 20.31 O ATOM 741 CB GLN A 46 10.029 11.568 4.690 1.00 24.24 C ATOM 742 CG GLN A 46 11.451 12.088 4.545 1.00 22.14 C ATOM 743 CD GLN A 46 11.808 13.115 5.602 1.00 14.43 C ATOM 744 OE1 GLN A 46 11.561 12.912 6.791 1.00 60.14 O ATOM 745 NE2 GLN A 46 12.392 14.229 5.173 1.00 14.24 N ATOM 0 H GLN A 46 9.218 12.916 6.594 1.00 11.03 H new ATOM 0 HA GLN A 46 9.309 13.387 3.802 1.00 34.13 H new ATOM 0 HB2 GLN A 46 9.919 11.104 5.670 1.00 24.24 H new ATOM 0 HB3 GLN A 46 9.858 10.789 3.947 1.00 24.24 H new ATOM 0 HG2 GLN A 46 12.148 11.252 4.607 1.00 22.14 H new ATOM 0 HG3 GLN A 46 11.572 12.532 3.557 1.00 22.14 H new ATOM 0 HE21 GLN A 46 12.579 14.357 4.178 1.00 14.24 H new ATOM 0 HE22 GLN A 46 12.654 14.956 5.838 1.00 14.24 H new ATOM 754 N GLU A 47 6.774 11.686 4.936 1.00 2.42 N ATOM 755 CA GLU A 47 5.498 11.084 4.573 1.00 13.12 C ATOM 756 C GLU A 47 4.457 12.158 4.266 1.00 1.02 C ATOM 757 O GLU A 47 4.653 13.335 4.572 1.00 65.33 O ATOM 758 CB GLU A 47 4.995 10.180 5.700 1.00 52.13 C ATOM 759 CG GLU A 47 6.090 9.340 6.338 1.00 32.25 C ATOM 760 CD GLU A 47 7.070 8.788 5.322 1.00 2.12 C ATOM 761 OE1 GLU A 47 6.635 8.446 4.204 1.00 42.14 O ATOM 762 OE2 GLU A 47 8.273 8.701 5.645 1.00 71.45 O ATOM 0 H GLU A 47 6.911 11.812 5.939 1.00 2.42 H new ATOM 0 HA GLU A 47 5.652 10.483 3.676 1.00 13.12 H new ATOM 0 HB2 GLU A 47 4.527 10.796 6.468 1.00 52.13 H new ATOM 0 HB3 GLU A 47 4.223 9.519 5.307 1.00 52.13 H new ATOM 0 HG2 GLU A 47 6.630 9.946 7.066 1.00 32.25 H new ATOM 0 HG3 GLU A 47 5.636 8.514 6.885 1.00 32.25 H new ATOM 769 N LEU A 48 3.349 11.745 3.660 1.00 0.24 N ATOM 770 CA LEU A 48 2.276 12.670 3.310 1.00 63.50 C ATOM 771 C LEU A 48 0.921 12.120 3.745 1.00 43.51 C ATOM 772 O LEU A 48 0.653 10.927 3.612 1.00 41.13 O ATOM 773 CB LEU A 48 2.275 12.935 1.805 1.00 63.03 C ATOM 774 CG LEU A 48 1.941 14.364 1.375 1.00 33.21 C ATOM 775 CD1 LEU A 48 2.141 14.532 -0.123 1.00 72.45 C ATOM 776 CD2 LEU A 48 0.514 14.719 1.768 1.00 43.41 C ATOM 0 H LEU A 48 3.170 10.775 3.401 1.00 0.24 H new ATOM 0 HA LEU A 48 2.451 13.609 3.836 1.00 63.50 H new ATOM 0 HB2 LEU A 48 3.258 12.679 1.411 1.00 63.03 H new ATOM 0 HB3 LEU A 48 1.558 12.260 1.338 1.00 63.03 H new ATOM 0 HG LEU A 48 2.619 15.045 1.889 1.00 33.21 H new ATOM 0 HD11 LEU A 48 1.898 15.555 -0.410 1.00 72.45 H new ATOM 0 HD12 LEU A 48 3.180 14.320 -0.377 1.00 72.45 H new ATOM 0 HD13 LEU A 48 1.489 13.841 -0.657 1.00 72.45 H new ATOM 0 HD21 LEU A 48 0.293 15.739 1.454 1.00 43.41 H new ATOM 0 HD22 LEU A 48 -0.179 14.032 1.282 1.00 43.41 H new ATOM 0 HD23 LEU A 48 0.404 14.640 2.850 1.00 43.41 H new ATOM 788 N ASP A 49 0.069 13.000 4.260 1.00 42.45 N ATOM 789 CA ASP A 49 -1.259 12.605 4.710 1.00 61.52 C ATOM 790 C ASP A 49 -2.192 12.388 3.522 1.00 31.50 C ATOM 791 O ASP A 49 -2.533 13.331 2.808 1.00 70.13 O ATOM 792 CB ASP A 49 -1.842 13.666 5.645 1.00 71.21 C ATOM 793 CG ASP A 49 -0.777 14.351 6.478 1.00 41.21 C ATOM 794 OD1 ASP A 49 -0.039 15.193 5.924 1.00 72.34 O ATOM 795 OD2 ASP A 49 -0.681 14.046 7.685 1.00 73.03 O ATOM 0 H ASP A 49 0.276 13.992 4.376 1.00 42.45 H new ATOM 0 HA ASP A 49 -1.167 11.665 5.254 1.00 61.52 H new ATOM 0 HB2 ASP A 49 -2.374 14.413 5.056 1.00 71.21 H new ATOM 0 HB3 ASP A 49 -2.573 13.201 6.306 1.00 71.21 H new ATOM 801 N ILE A 50 -2.601 11.140 3.318 1.00 60.44 N ATOM 802 CA ILE A 50 -3.493 10.799 2.217 1.00 32.35 C ATOM 803 C ILE A 50 -4.873 10.402 2.731 1.00 11.51 C ATOM 804 O ILE A 50 -5.001 9.802 3.799 1.00 11.20 O ATOM 805 CB ILE A 50 -2.926 9.649 1.365 1.00 24.40 C ATOM 806 CG1 ILE A 50 -2.437 8.512 2.266 1.00 34.02 C ATOM 807 CG2 ILE A 50 -1.795 10.153 0.481 1.00 51.13 C ATOM 808 CD1 ILE A 50 -2.074 7.255 1.508 1.00 42.05 C ATOM 0 H ILE A 50 -2.329 10.349 3.901 1.00 60.44 H new ATOM 0 HA ILE A 50 -3.580 11.690 1.596 1.00 32.35 H new ATOM 0 HB ILE A 50 -3.720 9.265 0.724 1.00 24.40 H new ATOM 0 HG12 ILE A 50 -1.567 8.852 2.827 1.00 34.02 H new ATOM 0 HG13 ILE A 50 -3.213 8.276 2.994 1.00 34.02 H new ATOM 0 HG21 ILE A 50 -1.404 9.329 -0.115 1.00 51.13 H new ATOM 0 HG22 ILE A 50 -2.171 10.933 -0.181 1.00 51.13 H new ATOM 0 HG23 ILE A 50 -0.999 10.559 1.105 1.00 51.13 H new ATOM 0 HD11 ILE A 50 -1.736 6.492 2.209 1.00 42.05 H new ATOM 0 HD12 ILE A 50 -2.948 6.890 0.968 1.00 42.05 H new ATOM 0 HD13 ILE A 50 -1.276 7.475 0.799 1.00 42.05 H new ATOM 820 N LYS A 51 -5.904 10.741 1.964 1.00 52.31 N ATOM 821 CA LYS A 51 -7.275 10.418 2.339 1.00 33.33 C ATOM 822 C LYS A 51 -7.866 9.373 1.398 1.00 64.13 C ATOM 823 O LYS A 51 -7.545 9.341 0.210 1.00 65.54 O ATOM 824 CB LYS A 51 -8.141 11.680 2.323 1.00 30.25 C ATOM 825 CG LYS A 51 -7.811 12.658 3.437 1.00 42.10 C ATOM 826 CD LYS A 51 -8.682 13.902 3.364 1.00 42.32 C ATOM 827 CE LYS A 51 -7.904 15.095 2.830 1.00 22.34 C ATOM 828 NZ LYS A 51 -8.803 16.130 2.250 1.00 52.13 N ATOM 0 H LYS A 51 -5.816 11.240 1.079 1.00 52.31 H new ATOM 0 HA LYS A 51 -7.261 10.006 3.348 1.00 33.33 H new ATOM 0 HB2 LYS A 51 -8.020 12.182 1.363 1.00 30.25 H new ATOM 0 HB3 LYS A 51 -9.189 11.392 2.402 1.00 30.25 H new ATOM 0 HG2 LYS A 51 -7.950 12.172 4.402 1.00 42.10 H new ATOM 0 HG3 LYS A 51 -6.761 12.944 3.372 1.00 42.10 H new ATOM 0 HD2 LYS A 51 -9.541 13.709 2.721 1.00 42.32 H new ATOM 0 HD3 LYS A 51 -9.071 14.134 4.355 1.00 42.32 H new ATOM 0 HE2 LYS A 51 -7.316 15.535 3.636 1.00 22.34 H new ATOM 0 HE3 LYS A 51 -7.200 14.758 2.069 1.00 22.34 H new ATOM 0 HZ1 LYS A 51 -8.234 16.926 1.897 1.00 52.13 H new ATOM 0 HZ2 LYS A 51 -9.346 15.718 1.465 1.00 52.13 H new ATOM 0 HZ3 LYS A 51 -9.458 16.471 2.982 1.00 52.13 H new ATOM 842 N LYS A 52 -8.731 8.519 1.936 1.00 30.41 N ATOM 843 CA LYS A 52 -9.367 7.474 1.145 1.00 54.11 C ATOM 844 C LYS A 52 -9.835 8.019 -0.201 1.00 32.22 C ATOM 845 O LYS A 52 -10.077 9.216 -0.346 1.00 25.43 O ATOM 846 CB LYS A 52 -10.554 6.881 1.907 1.00 62.44 C ATOM 847 CG LYS A 52 -11.240 7.869 2.832 1.00 24.13 C ATOM 848 CD LYS A 52 -11.717 9.099 2.079 1.00 45.22 C ATOM 849 CE LYS A 52 -12.707 8.732 0.984 1.00 42.41 C ATOM 850 NZ LYS A 52 -13.146 9.926 0.209 1.00 33.41 N ATOM 0 H LYS A 52 -9.007 8.531 2.918 1.00 30.41 H new ATOM 0 HA LYS A 52 -8.631 6.691 0.964 1.00 54.11 H new ATOM 0 HB2 LYS A 52 -11.282 6.502 1.190 1.00 62.44 H new ATOM 0 HB3 LYS A 52 -10.209 6.028 2.492 1.00 62.44 H new ATOM 0 HG2 LYS A 52 -12.089 7.386 3.317 1.00 24.13 H new ATOM 0 HG3 LYS A 52 -10.551 8.169 3.621 1.00 24.13 H new ATOM 0 HD2 LYS A 52 -12.185 9.795 2.776 1.00 45.22 H new ATOM 0 HD3 LYS A 52 -10.862 9.613 1.641 1.00 45.22 H new ATOM 0 HE2 LYS A 52 -12.250 8.009 0.309 1.00 42.41 H new ATOM 0 HE3 LYS A 52 -13.577 8.248 1.428 1.00 42.41 H new ATOM 0 HZ1 LYS A 52 -13.820 9.634 -0.527 1.00 33.41 H new ATOM 0 HZ2 LYS A 52 -13.605 10.605 0.849 1.00 33.41 H new ATOM 0 HZ3 LYS A 52 -12.320 10.374 -0.236 1.00 33.41 H new ATOM 864 N ASN A 53 -9.963 7.131 -1.181 1.00 45.44 N ATOM 865 CA ASN A 53 -10.404 7.524 -2.515 1.00 2.23 C ATOM 866 C ASN A 53 -9.615 8.731 -3.015 1.00 55.23 C ATOM 867 O ASN A 53 -10.191 9.760 -3.364 1.00 33.40 O ATOM 868 CB ASN A 53 -11.899 7.847 -2.507 1.00 60.25 C ATOM 869 CG ASN A 53 -12.558 7.571 -3.845 1.00 21.12 C ATOM 870 OD1 ASN A 53 -11.898 7.571 -4.885 1.00 33.25 O ATOM 871 ND2 ASN A 53 -13.865 7.335 -3.824 1.00 22.15 N ATOM 0 H ASN A 53 -9.768 6.135 -1.077 1.00 45.44 H new ATOM 0 HA ASN A 53 -10.223 6.688 -3.191 1.00 2.23 H new ATOM 0 HB2 ASN A 53 -12.391 7.257 -1.734 1.00 60.25 H new ATOM 0 HB3 ASN A 53 -12.040 8.896 -2.245 1.00 60.25 H new ATOM 0 HD21 ASN A 53 -14.363 7.144 -4.693 1.00 22.15 H new ATOM 0 HD22 ASN A 53 -14.371 7.345 -2.938 1.00 22.15 H new ATOM 878 N GLU A 54 -8.293 8.595 -3.048 1.00 61.53 N ATOM 879 CA GLU A 54 -7.425 9.674 -3.505 1.00 62.21 C ATOM 880 C GLU A 54 -6.452 9.176 -4.569 1.00 60.01 C ATOM 881 O GLU A 54 -5.826 8.127 -4.411 1.00 52.33 O ATOM 882 CB GLU A 54 -6.651 10.270 -2.328 1.00 64.35 C ATOM 883 CG GLU A 54 -5.567 11.247 -2.745 1.00 1.05 C ATOM 884 CD GLU A 54 -5.342 12.342 -1.719 1.00 21.21 C ATOM 885 OE1 GLU A 54 -6.141 13.302 -1.691 1.00 45.55 O ATOM 886 OE2 GLU A 54 -4.368 12.238 -0.945 1.00 2.10 O ATOM 0 H GLU A 54 -7.800 7.749 -2.764 1.00 61.53 H new ATOM 0 HA GLU A 54 -8.053 10.448 -3.946 1.00 62.21 H new ATOM 0 HB2 GLU A 54 -7.350 10.778 -1.664 1.00 64.35 H new ATOM 0 HB3 GLU A 54 -6.198 9.461 -1.755 1.00 64.35 H new ATOM 0 HG2 GLU A 54 -4.635 10.704 -2.902 1.00 1.05 H new ATOM 0 HG3 GLU A 54 -5.838 11.699 -3.699 1.00 1.05 H new ATOM 893 N ARG A 55 -6.328 9.936 -5.652 1.00 55.50 N ATOM 894 CA ARG A 55 -5.433 9.571 -6.744 1.00 5.11 C ATOM 895 C ARG A 55 -4.269 10.554 -6.844 1.00 33.42 C ATOM 896 O ARG A 55 -4.427 11.747 -6.582 1.00 2.34 O ATOM 897 CB ARG A 55 -6.197 9.533 -8.068 1.00 55.51 C ATOM 898 CG ARG A 55 -7.211 10.657 -8.219 1.00 75.55 C ATOM 899 CD ARG A 55 -7.804 10.688 -9.619 1.00 64.22 C ATOM 900 NE ARG A 55 -7.149 11.680 -10.467 1.00 3.32 N ATOM 901 CZ ARG A 55 -7.407 12.982 -10.408 1.00 25.23 C ATOM 902 NH1 ARG A 55 -8.299 13.446 -9.545 1.00 35.34 N ATOM 903 NH2 ARG A 55 -6.770 13.824 -11.212 1.00 61.12 N ATOM 0 H ARG A 55 -6.836 10.809 -5.797 1.00 55.50 H new ATOM 0 HA ARG A 55 -5.032 8.579 -6.536 1.00 5.11 H new ATOM 0 HB2 ARG A 55 -5.484 9.585 -8.891 1.00 55.51 H new ATOM 0 HB3 ARG A 55 -6.712 8.576 -8.153 1.00 55.51 H new ATOM 0 HG2 ARG A 55 -8.009 10.529 -7.487 1.00 75.55 H new ATOM 0 HG3 ARG A 55 -6.732 11.612 -8.004 1.00 75.55 H new ATOM 0 HD2 ARG A 55 -7.710 9.702 -10.075 1.00 64.22 H new ATOM 0 HD3 ARG A 55 -8.869 10.910 -9.557 1.00 64.22 H new ATOM 0 HE ARG A 55 -6.456 11.356 -11.141 1.00 3.32 H new ATOM 0 HH11 ARG A 55 -8.790 12.803 -8.924 1.00 35.34 H new ATOM 0 HH12 ARG A 55 -8.495 14.446 -9.502 1.00 35.34 H new ATOM 0 HH21 ARG A 55 -6.081 13.472 -11.877 1.00 61.12 H new ATOM 0 HH22 ARG A 55 -6.969 14.823 -11.165 1.00 61.12 H new ATOM 917 N LEU A 56 -3.102 10.043 -7.221 1.00 1.43 N ATOM 918 CA LEU A 56 -1.912 10.876 -7.354 1.00 45.14 C ATOM 919 C LEU A 56 -1.031 10.385 -8.500 1.00 21.51 C ATOM 920 O LEU A 56 -1.337 9.385 -9.147 1.00 25.41 O ATOM 921 CB LEU A 56 -1.116 10.876 -6.048 1.00 11.04 C ATOM 922 CG LEU A 56 -1.419 12.020 -5.078 1.00 20.30 C ATOM 923 CD1 LEU A 56 -2.659 11.705 -4.254 1.00 4.14 C ATOM 924 CD2 LEU A 56 -0.225 12.280 -4.172 1.00 52.30 C ATOM 0 H LEU A 56 -2.955 9.058 -7.440 1.00 1.43 H new ATOM 0 HA LEU A 56 -2.233 11.894 -7.576 1.00 45.14 H new ATOM 0 HB2 LEU A 56 -1.299 9.932 -5.534 1.00 11.04 H new ATOM 0 HB3 LEU A 56 -0.054 10.905 -6.293 1.00 11.04 H new ATOM 0 HG LEU A 56 -1.613 12.923 -5.658 1.00 20.30 H new ATOM 0 HD11 LEU A 56 -2.860 12.529 -3.569 1.00 4.14 H new ATOM 0 HD12 LEU A 56 -3.512 11.569 -4.918 1.00 4.14 H new ATOM 0 HD13 LEU A 56 -2.494 10.791 -3.683 1.00 4.14 H new ATOM 0 HD21 LEU A 56 -0.458 13.097 -3.489 1.00 52.30 H new ATOM 0 HD22 LEU A 56 -0.000 11.380 -3.599 1.00 52.30 H new ATOM 0 HD23 LEU A 56 0.640 12.550 -4.778 1.00 52.30 H new ATOM 936 N TRP A 57 0.065 11.096 -8.741 1.00 34.14 N ATOM 937 CA TRP A 57 0.993 10.732 -9.806 1.00 43.52 C ATOM 938 C TRP A 57 2.124 9.861 -9.270 1.00 13.14 C ATOM 939 O TRP A 57 2.937 10.312 -8.463 1.00 45.25 O ATOM 940 CB TRP A 57 1.567 11.988 -10.462 1.00 13.21 C ATOM 941 CG TRP A 57 0.636 12.619 -11.454 1.00 40.32 C ATOM 942 CD1 TRP A 57 0.804 12.688 -12.807 1.00 40.31 C ATOM 943 CD2 TRP A 57 -0.606 13.272 -11.168 1.00 13.20 C ATOM 944 NE1 TRP A 57 -0.258 13.344 -13.381 1.00 70.12 N ATOM 945 CE2 TRP A 57 -1.137 13.711 -12.397 1.00 32.43 C ATOM 946 CE3 TRP A 57 -1.321 13.525 -9.995 1.00 0.43 C ATOM 947 CZ2 TRP A 57 -2.349 14.390 -12.482 1.00 54.12 C ATOM 948 CZ3 TRP A 57 -2.524 14.200 -10.081 1.00 55.44 C ATOM 949 CH2 TRP A 57 -3.029 14.626 -11.317 1.00 43.15 C ATOM 0 H TRP A 57 0.333 11.927 -8.214 1.00 34.14 H new ATOM 0 HA TRP A 57 0.442 10.160 -10.553 1.00 43.52 H new ATOM 0 HB2 TRP A 57 1.808 12.716 -9.687 1.00 13.21 H new ATOM 0 HB3 TRP A 57 2.501 11.733 -10.962 1.00 13.21 H new ATOM 0 HD1 TRP A 57 1.648 12.286 -13.347 1.00 40.31 H new ATOM 0 HE1 TRP A 57 -0.373 13.528 -14.378 1.00 70.12 H new ATOM 0 HE3 TRP A 57 -0.941 13.199 -9.038 1.00 0.43 H new ATOM 0 HZ2 TRP A 57 -2.740 14.719 -13.434 1.00 54.12 H new ATOM 0 HZ3 TRP A 57 -3.084 14.403 -9.180 1.00 55.44 H new ATOM 0 HH2 TRP A 57 -3.972 15.150 -11.351 1.00 43.15 H new ATOM 960 N LEU A 58 2.168 8.612 -9.720 1.00 54.31 N ATOM 961 CA LEU A 58 3.201 7.678 -9.285 1.00 54.40 C ATOM 962 C LEU A 58 4.574 8.111 -9.790 1.00 22.53 C ATOM 963 O LEU A 58 4.785 8.269 -10.992 1.00 30.24 O ATOM 964 CB LEU A 58 2.884 6.268 -9.785 1.00 52.34 C ATOM 965 CG LEU A 58 2.647 5.211 -8.707 1.00 22.43 C ATOM 966 CD1 LEU A 58 2.496 3.833 -9.332 1.00 41.02 C ATOM 967 CD2 LEU A 58 3.785 5.217 -7.694 1.00 15.40 C ATOM 0 H LEU A 58 1.501 8.222 -10.386 1.00 54.31 H new ATOM 0 HA LEU A 58 3.219 7.676 -8.195 1.00 54.40 H new ATOM 0 HB2 LEU A 58 1.997 6.319 -10.417 1.00 52.34 H new ATOM 0 HB3 LEU A 58 3.707 5.935 -10.417 1.00 52.34 H new ATOM 0 HG LEU A 58 1.721 5.454 -8.186 1.00 22.43 H new ATOM 0 HD11 LEU A 58 2.328 3.094 -8.548 1.00 41.02 H new ATOM 0 HD12 LEU A 58 1.648 3.835 -10.017 1.00 41.02 H new ATOM 0 HD13 LEU A 58 3.404 3.581 -9.880 1.00 41.02 H new ATOM 0 HD21 LEU A 58 3.599 4.458 -6.934 1.00 15.40 H new ATOM 0 HD22 LEU A 58 4.725 5.000 -8.201 1.00 15.40 H new ATOM 0 HD23 LEU A 58 3.846 6.197 -7.221 1.00 15.40 H new ATOM 979 N LEU A 59 5.506 8.299 -8.861 1.00 12.23 N ATOM 980 CA LEU A 59 6.861 8.713 -9.210 1.00 73.43 C ATOM 981 C LEU A 59 7.800 7.512 -9.255 1.00 62.10 C ATOM 982 O LEU A 59 8.233 7.088 -10.327 1.00 11.24 O ATOM 983 CB LEU A 59 7.376 9.740 -8.203 1.00 1.25 C ATOM 984 CG LEU A 59 6.513 10.988 -8.015 1.00 23.23 C ATOM 985 CD1 LEU A 59 7.213 11.992 -7.112 1.00 31.44 C ATOM 986 CD2 LEU A 59 6.187 11.618 -9.362 1.00 25.44 C ATOM 0 H LEU A 59 5.348 8.171 -7.861 1.00 12.23 H new ATOM 0 HA LEU A 59 6.833 9.168 -10.200 1.00 73.43 H new ATOM 0 HB2 LEU A 59 7.484 9.248 -7.236 1.00 1.25 H new ATOM 0 HB3 LEU A 59 8.372 10.055 -8.513 1.00 1.25 H new ATOM 0 HG LEU A 59 5.579 10.691 -7.538 1.00 23.23 H new ATOM 0 HD11 LEU A 59 6.583 12.873 -6.990 1.00 31.44 H new ATOM 0 HD12 LEU A 59 7.396 11.539 -6.137 1.00 31.44 H new ATOM 0 HD13 LEU A 59 8.163 12.284 -7.560 1.00 31.44 H new ATOM 0 HD21 LEU A 59 5.572 12.505 -9.210 1.00 25.44 H new ATOM 0 HD22 LEU A 59 7.112 11.900 -9.865 1.00 25.44 H new ATOM 0 HD23 LEU A 59 5.643 10.901 -9.977 1.00 25.44 H new ATOM 998 N ASP A 60 8.111 6.966 -8.084 1.00 4.22 N ATOM 999 CA ASP A 60 8.998 5.811 -7.990 1.00 32.33 C ATOM 1000 C ASP A 60 8.440 4.776 -7.018 1.00 32.13 C ATOM 1001 O ASP A 60 8.412 4.998 -5.807 1.00 53.10 O ATOM 1002 CB ASP A 60 10.394 6.249 -7.543 1.00 60.44 C ATOM 1003 CG ASP A 60 11.326 5.074 -7.327 1.00 62.24 C ATOM 1004 OD1 ASP A 60 11.576 4.722 -6.154 1.00 41.54 O ATOM 1005 OD2 ASP A 60 11.806 4.505 -8.330 1.00 11.04 O ATOM 0 H ASP A 60 7.762 7.304 -7.187 1.00 4.22 H new ATOM 0 HA ASP A 60 9.068 5.355 -8.978 1.00 32.33 H new ATOM 0 HB2 ASP A 60 10.821 6.915 -8.293 1.00 60.44 H new ATOM 0 HB3 ASP A 60 10.314 6.821 -6.618 1.00 60.44 H new ATOM 1011 N ASP A 61 7.996 3.646 -7.557 1.00 41.20 N ATOM 1012 CA ASP A 61 7.438 2.575 -6.738 1.00 3.11 C ATOM 1013 C ASP A 61 8.233 1.286 -6.915 1.00 72.44 C ATOM 1014 O ASP A 61 7.811 0.379 -7.633 1.00 4.23 O ATOM 1015 CB ASP A 61 5.971 2.339 -7.099 1.00 13.54 C ATOM 1016 CG ASP A 61 5.709 2.490 -8.586 1.00 65.23 C ATOM 1017 OD1 ASP A 61 5.740 3.635 -9.081 1.00 45.00 O ATOM 1018 OD2 ASP A 61 5.475 1.460 -9.253 1.00 23.34 O ATOM 0 H ASP A 61 8.011 3.447 -8.557 1.00 41.20 H new ATOM 0 HA ASP A 61 7.502 2.879 -5.693 1.00 3.11 H new ATOM 0 HB2 ASP A 61 5.678 1.338 -6.781 1.00 13.54 H new ATOM 0 HB3 ASP A 61 5.347 3.044 -6.550 1.00 13.54 H new ATOM 1024 N SER A 62 9.385 1.212 -6.258 1.00 50.14 N ATOM 1025 CA SER A 62 10.242 0.034 -6.346 1.00 14.15 C ATOM 1026 C SER A 62 10.258 -0.727 -5.024 1.00 50.55 C ATOM 1027 O SER A 62 10.060 -1.942 -4.991 1.00 73.11 O ATOM 1028 CB SER A 62 11.666 0.441 -6.730 1.00 0.24 C ATOM 1029 OG SER A 62 11.985 0.004 -8.039 1.00 42.23 O ATOM 0 H SER A 62 9.748 1.953 -5.659 1.00 50.14 H new ATOM 0 HA SER A 62 9.838 -0.622 -7.117 1.00 14.15 H new ATOM 0 HB2 SER A 62 11.767 1.525 -6.670 1.00 0.24 H new ATOM 0 HB3 SER A 62 12.374 0.016 -6.018 1.00 0.24 H new ATOM 0 HG SER A 62 12.899 0.278 -8.262 1.00 42.23 H new ATOM 1035 N LYS A 63 10.493 -0.003 -3.935 1.00 21.53 N ATOM 1036 CA LYS A 63 10.534 -0.608 -2.608 1.00 10.01 C ATOM 1037 C LYS A 63 9.135 -0.686 -2.003 1.00 73.44 C ATOM 1038 O LYS A 63 8.161 -0.231 -2.603 1.00 63.32 O ATOM 1039 CB LYS A 63 11.454 0.194 -1.687 1.00 41.22 C ATOM 1040 CG LYS A 63 12.894 -0.291 -1.693 1.00 52.43 C ATOM 1041 CD LYS A 63 13.765 0.534 -0.761 1.00 62.14 C ATOM 1042 CE LYS A 63 15.164 -0.050 -0.642 1.00 63.24 C ATOM 1043 NZ LYS A 63 16.210 1.009 -0.638 1.00 32.11 N ATOM 0 H LYS A 63 10.658 1.004 -3.945 1.00 21.53 H new ATOM 0 HA LYS A 63 10.925 -1.620 -2.710 1.00 10.01 H new ATOM 0 HB2 LYS A 63 11.431 1.242 -1.987 1.00 41.22 H new ATOM 0 HB3 LYS A 63 11.067 0.145 -0.669 1.00 41.22 H new ATOM 0 HG2 LYS A 63 12.927 -1.338 -1.392 1.00 52.43 H new ATOM 0 HG3 LYS A 63 13.292 -0.238 -2.706 1.00 52.43 H new ATOM 0 HD2 LYS A 63 13.827 1.558 -1.131 1.00 62.14 H new ATOM 0 HD3 LYS A 63 13.303 0.579 0.225 1.00 62.14 H new ATOM 0 HE2 LYS A 63 15.236 -0.635 0.275 1.00 63.24 H new ATOM 0 HE3 LYS A 63 15.343 -0.734 -1.471 1.00 63.24 H new ATOM 0 HZ1 LYS A 63 17.149 0.569 -0.555 1.00 32.11 H new ATOM 0 HZ2 LYS A 63 16.158 1.551 -1.524 1.00 32.11 H new ATOM 0 HZ3 LYS A 63 16.055 1.647 0.168 1.00 32.11 H new ATOM 1057 N THR A 64 9.043 -1.266 -0.810 1.00 22.11 N ATOM 1058 CA THR A 64 7.764 -1.404 -0.124 1.00 63.04 C ATOM 1059 C THR A 64 6.988 -0.092 -0.141 1.00 74.32 C ATOM 1060 O THR A 64 5.766 -0.087 -0.303 1.00 25.34 O ATOM 1061 CB THR A 64 7.957 -1.856 1.336 1.00 21.34 C ATOM 1062 OG1 THR A 64 6.778 -1.569 2.096 1.00 14.45 O ATOM 1063 CG2 THR A 64 9.154 -1.157 1.965 1.00 72.34 C ATOM 0 H THR A 64 9.839 -1.648 -0.299 1.00 22.11 H new ATOM 0 HA THR A 64 7.197 -2.165 -0.660 1.00 63.04 H new ATOM 0 HB THR A 64 8.140 -2.931 1.340 1.00 21.34 H new ATOM 0 HG1 THR A 64 5.992 -1.911 1.622 1.00 14.45 H new ATOM 0 HG21 THR A 64 9.271 -1.492 2.996 1.00 72.34 H new ATOM 0 HG22 THR A 64 10.055 -1.399 1.401 1.00 72.34 H new ATOM 0 HG23 THR A 64 8.995 -0.079 1.950 1.00 72.34 H new ATOM 1071 N TRP A 65 7.702 1.014 0.024 1.00 30.12 N ATOM 1072 CA TRP A 65 7.077 2.333 0.026 1.00 74.42 C ATOM 1073 C TRP A 65 7.158 2.976 -1.354 1.00 64.24 C ATOM 1074 O TRP A 65 8.176 2.871 -2.039 1.00 62.51 O ATOM 1075 CB TRP A 65 7.748 3.236 1.062 1.00 71.44 C ATOM 1076 CG TRP A 65 7.248 3.011 2.458 1.00 15.50 C ATOM 1077 CD1 TRP A 65 7.402 1.883 3.212 1.00 64.41 C ATOM 1078 CD2 TRP A 65 6.511 3.938 3.264 1.00 70.33 C ATOM 1079 NE1 TRP A 65 6.805 2.052 4.439 1.00 44.43 N ATOM 1080 CE2 TRP A 65 6.252 3.305 4.495 1.00 65.34 C ATOM 1081 CE3 TRP A 65 6.048 5.240 3.065 1.00 34.14 C ATOM 1082 CZ2 TRP A 65 5.549 3.931 5.521 1.00 44.42 C ATOM 1083 CZ3 TRP A 65 5.350 5.861 4.084 1.00 55.44 C ATOM 1084 CH2 TRP A 65 5.107 5.207 5.299 1.00 12.43 C ATOM 0 H TRP A 65 8.713 1.026 0.158 1.00 30.12 H new ATOM 0 HA TRP A 65 6.026 2.209 0.288 1.00 74.42 H new ATOM 0 HB2 TRP A 65 8.825 3.068 1.038 1.00 71.44 H new ATOM 0 HB3 TRP A 65 7.582 4.278 0.788 1.00 71.44 H new ATOM 0 HD1 TRP A 65 7.917 0.989 2.892 1.00 64.41 H new ATOM 0 HE1 TRP A 65 6.778 1.358 5.186 1.00 44.43 H new ATOM 0 HE3 TRP A 65 6.232 5.753 2.132 1.00 34.14 H new ATOM 0 HZ2 TRP A 65 5.359 3.428 6.458 1.00 44.42 H new ATOM 0 HZ3 TRP A 65 4.986 6.868 3.941 1.00 55.44 H new ATOM 0 HH2 TRP A 65 4.560 5.720 6.076 1.00 12.43 H new ATOM 1095 N TRP A 66 6.081 3.641 -1.755 1.00 62.11 N ATOM 1096 CA TRP A 66 6.031 4.301 -3.056 1.00 60.11 C ATOM 1097 C TRP A 66 5.977 5.816 -2.894 1.00 41.21 C ATOM 1098 O TRP A 66 5.556 6.324 -1.855 1.00 23.42 O ATOM 1099 CB TRP A 66 4.817 3.816 -3.850 1.00 52.12 C ATOM 1100 CG TRP A 66 4.829 2.340 -4.111 1.00 22.03 C ATOM 1101 CD1 TRP A 66 5.876 1.483 -3.926 1.00 14.20 C ATOM 1102 CD2 TRP A 66 3.743 1.549 -4.606 1.00 70.35 C ATOM 1103 NE1 TRP A 66 5.507 0.208 -4.277 1.00 62.43 N ATOM 1104 CE2 TRP A 66 4.203 0.221 -4.696 1.00 64.42 C ATOM 1105 CE3 TRP A 66 2.427 1.833 -4.979 1.00 4.32 C ATOM 1106 CZ2 TRP A 66 3.391 -0.818 -5.145 1.00 44.34 C ATOM 1107 CZ3 TRP A 66 1.624 0.801 -5.425 1.00 74.01 C ATOM 1108 CH2 TRP A 66 2.108 -0.512 -5.505 1.00 30.23 C ATOM 0 H TRP A 66 5.231 3.738 -1.199 1.00 62.11 H new ATOM 0 HA TRP A 66 6.939 4.045 -3.602 1.00 60.11 H new ATOM 0 HB2 TRP A 66 3.909 4.074 -3.305 1.00 52.12 H new ATOM 0 HB3 TRP A 66 4.779 4.346 -4.802 1.00 52.12 H new ATOM 0 HD1 TRP A 66 6.851 1.766 -3.558 1.00 14.20 H new ATOM 0 HE1 TRP A 66 6.107 -0.616 -4.233 1.00 62.43 H new ATOM 0 HE3 TRP A 66 2.044 2.841 -4.920 1.00 4.32 H new ATOM 0 HZ2 TRP A 66 3.762 -1.830 -5.207 1.00 44.34 H new ATOM 0 HZ3 TRP A 66 0.605 1.010 -5.717 1.00 74.01 H new ATOM 0 HH2 TRP A 66 1.455 -1.297 -5.858 1.00 30.23 H new ATOM 1119 N ARG A 67 6.405 6.532 -3.928 1.00 2.00 N ATOM 1120 CA ARG A 67 6.405 7.990 -3.899 1.00 41.41 C ATOM 1121 C ARG A 67 5.538 8.556 -5.020 1.00 1.13 C ATOM 1122 O ARG A 67 5.725 8.229 -6.191 1.00 53.12 O ATOM 1123 CB ARG A 67 7.833 8.524 -4.029 1.00 44.22 C ATOM 1124 CG ARG A 67 7.903 10.006 -4.359 1.00 75.54 C ATOM 1125 CD ARG A 67 9.188 10.632 -3.839 1.00 10.20 C ATOM 1126 NE ARG A 67 10.373 9.926 -4.315 1.00 62.30 N ATOM 1127 CZ ARG A 67 11.587 10.463 -4.345 1.00 0.41 C ATOM 1128 NH1 ARG A 67 11.774 11.709 -3.931 1.00 33.42 N ATOM 1129 NH2 ARG A 67 12.617 9.756 -4.792 1.00 11.22 N ATOM 0 H ARG A 67 6.756 6.127 -4.796 1.00 2.00 H new ATOM 0 HA ARG A 67 5.989 8.309 -2.943 1.00 41.41 H new ATOM 0 HB2 ARG A 67 8.366 8.343 -3.095 1.00 44.22 H new ATOM 0 HB3 ARG A 67 8.352 7.963 -4.806 1.00 44.22 H new ATOM 0 HG2 ARG A 67 7.841 10.143 -5.439 1.00 75.54 H new ATOM 0 HG3 ARG A 67 7.045 10.518 -3.923 1.00 75.54 H new ATOM 0 HD2 ARG A 67 9.236 11.674 -4.154 1.00 10.20 H new ATOM 0 HD3 ARG A 67 9.178 10.628 -2.749 1.00 10.20 H new ATOM 0 HE ARG A 67 10.263 8.966 -4.643 1.00 62.30 H new ATOM 0 HH11 ARG A 67 10.984 12.257 -3.589 1.00 33.42 H new ATOM 0 HH12 ARG A 67 12.707 12.120 -3.955 1.00 33.42 H new ATOM 0 HH21 ARG A 67 12.477 8.798 -5.113 1.00 11.22 H new ATOM 0 HH22 ARG A 67 13.549 10.170 -4.814 1.00 11.22 H new ATOM 1143 N VAL A 68 4.584 9.407 -4.652 1.00 24.13 N ATOM 1144 CA VAL A 68 3.688 10.019 -5.624 1.00 71.21 C ATOM 1145 C VAL A 68 3.634 11.532 -5.446 1.00 12.24 C ATOM 1146 O VAL A 68 4.215 12.079 -4.509 1.00 63.40 O ATOM 1147 CB VAL A 68 2.261 9.449 -5.509 1.00 61.24 C ATOM 1148 CG1 VAL A 68 2.257 7.957 -5.806 1.00 43.32 C ATOM 1149 CG2 VAL A 68 1.687 9.727 -4.128 1.00 61.32 C ATOM 0 H VAL A 68 4.413 9.688 -3.686 1.00 24.13 H new ATOM 0 HA VAL A 68 4.086 9.786 -6.611 1.00 71.21 H new ATOM 0 HB VAL A 68 1.630 9.944 -6.247 1.00 61.24 H new ATOM 0 HG11 VAL A 68 1.241 7.572 -5.720 1.00 43.32 H new ATOM 0 HG12 VAL A 68 2.625 7.786 -6.818 1.00 43.32 H new ATOM 0 HG13 VAL A 68 2.902 7.442 -5.093 1.00 43.32 H new ATOM 0 HG21 VAL A 68 0.679 9.318 -4.064 1.00 61.32 H new ATOM 0 HG22 VAL A 68 2.317 9.260 -3.371 1.00 61.32 H new ATOM 0 HG23 VAL A 68 1.653 10.803 -3.958 1.00 61.32 H new ATOM 1159 N ARG A 69 2.931 12.205 -6.352 1.00 70.33 N ATOM 1160 CA ARG A 69 2.802 13.656 -6.295 1.00 14.12 C ATOM 1161 C ARG A 69 1.339 14.066 -6.156 1.00 1.10 C ATOM 1162 O ARG A 69 0.455 13.466 -6.766 1.00 71.11 O ATOM 1163 CB ARG A 69 3.403 14.291 -7.549 1.00 2.35 C ATOM 1164 CG ARG A 69 3.366 15.811 -7.540 1.00 11.00 C ATOM 1165 CD ARG A 69 2.621 16.358 -8.747 1.00 50.25 C ATOM 1166 NE ARG A 69 2.885 17.779 -8.956 1.00 14.11 N ATOM 1167 CZ ARG A 69 2.266 18.513 -9.874 1.00 23.44 C ATOM 1168 NH1 ARG A 69 1.351 17.966 -10.660 1.00 52.44 N ATOM 1169 NH2 ARG A 69 2.560 19.801 -10.003 1.00 74.42 N ATOM 0 H ARG A 69 2.442 11.768 -7.134 1.00 70.33 H new ATOM 0 HA ARG A 69 3.346 14.011 -5.419 1.00 14.12 H new ATOM 0 HB2 ARG A 69 4.437 13.962 -7.653 1.00 2.35 H new ATOM 0 HB3 ARG A 69 2.864 13.928 -8.424 1.00 2.35 H new ATOM 0 HG2 ARG A 69 2.885 16.159 -6.626 1.00 11.00 H new ATOM 0 HG3 ARG A 69 4.384 16.201 -7.532 1.00 11.00 H new ATOM 0 HD2 ARG A 69 2.914 15.800 -9.637 1.00 50.25 H new ATOM 0 HD3 ARG A 69 1.550 16.204 -8.612 1.00 50.25 H new ATOM 0 HE ARG A 69 3.582 18.232 -8.365 1.00 14.11 H new ATOM 0 HH11 ARG A 69 1.119 16.978 -10.562 1.00 52.44 H new ATOM 0 HH12 ARG A 69 0.878 18.533 -11.364 1.00 52.44 H new ATOM 0 HH21 ARG A 69 3.261 20.227 -9.397 1.00 74.42 H new ATOM 0 HH22 ARG A 69 2.085 20.364 -10.708 1.00 74.42 H new ATOM 1183 N ASN A 70 1.091 15.092 -5.349 1.00 41.13 N ATOM 1184 CA ASN A 70 -0.264 15.582 -5.128 1.00 14.33 C ATOM 1185 C ASN A 70 -0.657 16.599 -6.197 1.00 62.15 C ATOM 1186 O ASN A 70 0.186 17.064 -6.964 1.00 45.31 O ATOM 1187 CB ASN A 70 -0.382 16.214 -3.741 1.00 21.31 C ATOM 1188 CG ASN A 70 -1.818 16.525 -3.365 1.00 62.41 C ATOM 1189 OD1 ASN A 70 -2.668 15.634 -3.328 1.00 11.34 O ATOM 1190 ND2 ASN A 70 -2.096 17.793 -3.086 1.00 40.14 N ATOM 0 H ASN A 70 1.812 15.601 -4.837 1.00 41.13 H new ATOM 0 HA ASN A 70 -0.944 14.732 -5.192 1.00 14.33 H new ATOM 0 HB2 ASN A 70 0.046 15.539 -3.000 1.00 21.31 H new ATOM 0 HB3 ASN A 70 0.205 17.132 -3.712 1.00 21.31 H new ATOM 0 HD21 ASN A 70 -3.045 18.062 -2.828 1.00 40.14 H new ATOM 0 HD22 ASN A 70 -1.360 18.498 -3.129 1.00 40.14 H new ATOM 1197 N ALA A 71 -1.940 16.939 -6.242 1.00 34.44 N ATOM 1198 CA ALA A 71 -2.443 17.900 -7.213 1.00 13.43 C ATOM 1199 C ALA A 71 -1.983 19.315 -6.874 1.00 35.41 C ATOM 1200 O ALA A 71 -2.005 20.206 -7.723 1.00 73.43 O ATOM 1201 CB ALA A 71 -3.962 17.840 -7.280 1.00 61.03 C ATOM 0 H ALA A 71 -2.651 16.562 -5.616 1.00 34.44 H new ATOM 0 HA ALA A 71 -2.037 17.637 -8.190 1.00 13.43 H new ATOM 0 HB1 ALA A 71 -4.323 18.564 -8.010 1.00 61.03 H new ATOM 0 HB2 ALA A 71 -4.274 16.839 -7.577 1.00 61.03 H new ATOM 0 HB3 ALA A 71 -4.379 18.074 -6.300 1.00 61.03 H new ATOM 1207 N ALA A 72 -1.569 19.514 -5.626 1.00 42.51 N ATOM 1208 CA ALA A 72 -1.102 20.820 -5.176 1.00 52.13 C ATOM 1209 C ALA A 72 0.413 20.931 -5.293 1.00 61.34 C ATOM 1210 O ALA A 72 1.042 21.727 -4.596 1.00 43.20 O ATOM 1211 CB ALA A 72 -1.544 21.072 -3.742 1.00 55.24 C ATOM 0 H ALA A 72 -1.548 18.788 -4.910 1.00 42.51 H new ATOM 0 HA ALA A 72 -1.545 21.580 -5.820 1.00 52.13 H new ATOM 0 HB1 ALA A 72 -1.189 22.050 -3.418 1.00 55.24 H new ATOM 0 HB2 ALA A 72 -2.632 21.044 -3.687 1.00 55.24 H new ATOM 0 HB3 ALA A 72 -1.128 20.302 -3.092 1.00 55.24 H new ATOM 1217 N ASN A 73 0.995 20.128 -6.177 1.00 44.34 N ATOM 1218 CA ASN A 73 2.440 20.135 -6.383 1.00 15.45 C ATOM 1219 C ASN A 73 3.167 19.610 -5.150 1.00 71.23 C ATOM 1220 O ASN A 73 4.356 19.870 -4.960 1.00 43.31 O ATOM 1221 CB ASN A 73 2.921 21.551 -6.709 1.00 72.43 C ATOM 1222 CG ASN A 73 1.891 22.347 -7.488 1.00 22.13 C ATOM 1223 OD1 ASN A 73 1.406 21.905 -8.529 1.00 1.14 O ATOM 1224 ND2 ASN A 73 1.553 23.528 -6.984 1.00 10.23 N ATOM 0 H ASN A 73 0.489 19.464 -6.763 1.00 44.34 H new ATOM 0 HA ASN A 73 2.667 19.478 -7.223 1.00 15.45 H new ATOM 0 HB2 ASN A 73 3.156 22.074 -5.782 1.00 72.43 H new ATOM 0 HB3 ASN A 73 3.844 21.494 -7.286 1.00 72.43 H new ATOM 0 HD21 ASN A 73 0.865 24.109 -7.463 1.00 10.23 H new ATOM 0 HD22 ASN A 73 1.981 23.854 -6.118 1.00 10.23 H new ATOM 1231 N ARG A 74 2.446 18.869 -4.316 1.00 65.55 N ATOM 1232 CA ARG A 74 3.024 18.306 -3.101 1.00 64.41 C ATOM 1233 C ARG A 74 3.709 16.974 -3.390 1.00 0.03 C ATOM 1234 O ARG A 74 3.369 16.283 -4.352 1.00 31.54 O ATOM 1235 CB ARG A 74 1.941 18.115 -2.037 1.00 55.00 C ATOM 1236 CG ARG A 74 2.475 18.134 -0.614 1.00 61.44 C ATOM 1237 CD ARG A 74 3.087 19.482 -0.266 1.00 51.41 C ATOM 1238 NE ARG A 74 4.479 19.358 0.158 1.00 20.42 N ATOM 1239 CZ ARG A 74 5.260 20.398 0.427 1.00 43.23 C ATOM 1240 NH1 ARG A 74 4.789 21.632 0.313 1.00 74.21 N ATOM 1241 NH2 ARG A 74 6.517 20.204 0.807 1.00 33.25 N ATOM 0 H ARG A 74 1.461 18.644 -4.459 1.00 65.55 H new ATOM 0 HA ARG A 74 3.772 19.005 -2.727 1.00 64.41 H new ATOM 0 HB2 ARG A 74 1.194 18.901 -2.146 1.00 55.00 H new ATOM 0 HB3 ARG A 74 1.434 17.166 -2.213 1.00 55.00 H new ATOM 0 HG2 ARG A 74 1.667 17.910 0.082 1.00 61.44 H new ATOM 0 HG3 ARG A 74 3.224 17.351 -0.495 1.00 61.44 H new ATOM 0 HD2 ARG A 74 3.029 20.141 -1.132 1.00 51.41 H new ATOM 0 HD3 ARG A 74 2.506 19.949 0.529 1.00 51.41 H new ATOM 0 HE ARG A 74 4.873 18.422 0.253 1.00 20.42 H new ATOM 0 HH11 ARG A 74 3.825 21.785 0.018 1.00 74.21 H new ATOM 0 HH12 ARG A 74 5.391 22.429 0.520 1.00 74.21 H new ATOM 0 HH21 ARG A 74 6.883 19.256 0.892 1.00 33.25 H new ATOM 0 HH22 ARG A 74 7.116 21.003 1.013 1.00 33.25 H new ATOM 1255 N THR A 75 4.679 16.618 -2.552 1.00 32.42 N ATOM 1256 CA THR A 75 5.412 15.370 -2.719 1.00 60.54 C ATOM 1257 C THR A 75 5.682 14.707 -1.372 1.00 1.22 C ATOM 1258 O THR A 75 5.969 15.380 -0.384 1.00 12.03 O ATOM 1259 CB THR A 75 6.753 15.599 -3.443 1.00 3.42 C ATOM 1260 OG1 THR A 75 7.102 16.987 -3.399 1.00 42.42 O ATOM 1261 CG2 THR A 75 6.673 15.136 -4.890 1.00 14.14 C ATOM 0 H THR A 75 4.974 17.177 -1.751 1.00 32.42 H new ATOM 0 HA THR A 75 4.787 14.715 -3.325 1.00 60.54 H new ATOM 0 HB THR A 75 7.520 15.016 -2.934 1.00 3.42 H new ATOM 0 HG1 THR A 75 7.956 17.124 -3.860 1.00 42.42 H new ATOM 0 HG21 THR A 75 7.631 15.308 -5.380 1.00 14.14 H new ATOM 0 HG22 THR A 75 6.436 14.073 -4.919 1.00 14.14 H new ATOM 0 HG23 THR A 75 5.895 15.696 -5.409 1.00 14.14 H new ATOM 1269 N GLY A 76 5.589 13.381 -1.341 1.00 53.13 N ATOM 1270 CA GLY A 76 5.827 12.649 -0.111 1.00 62.25 C ATOM 1271 C GLY A 76 5.857 11.149 -0.326 1.00 60.44 C ATOM 1272 O GLY A 76 5.717 10.673 -1.452 1.00 54.41 O ATOM 0 H GLY A 76 5.353 12.801 -2.146 1.00 53.13 H new ATOM 0 HA2 GLY A 76 6.775 12.970 0.322 1.00 62.25 H new ATOM 0 HA3 GLY A 76 5.048 12.894 0.611 1.00 62.25 H new ATOM 1276 N TYR A 77 6.040 10.401 0.757 1.00 3.43 N ATOM 1277 CA TYR A 77 6.093 8.946 0.681 1.00 14.13 C ATOM 1278 C TYR A 77 4.879 8.321 1.364 1.00 3.33 C ATOM 1279 O TYR A 77 4.277 8.921 2.255 1.00 73.44 O ATOM 1280 CB TYR A 77 7.378 8.427 1.327 1.00 20.44 C ATOM 1281 CG TYR A 77 8.581 8.488 0.415 1.00 40.54 C ATOM 1282 CD1 TYR A 77 9.393 9.616 0.375 1.00 73.32 C ATOM 1283 CD2 TYR A 77 8.907 7.417 -0.410 1.00 3.00 C ATOM 1284 CE1 TYR A 77 10.493 9.675 -0.458 1.00 53.50 C ATOM 1285 CE2 TYR A 77 10.007 7.468 -1.244 1.00 41.32 C ATOM 1286 CZ TYR A 77 10.796 8.599 -1.266 1.00 43.22 C ATOM 1287 OH TYR A 77 11.892 8.654 -2.096 1.00 42.52 O ATOM 0 H TYR A 77 6.154 10.779 1.698 1.00 3.43 H new ATOM 0 HA TYR A 77 6.083 8.662 -0.371 1.00 14.13 H new ATOM 0 HB2 TYR A 77 7.584 9.009 2.225 1.00 20.44 H new ATOM 0 HB3 TYR A 77 7.225 7.395 1.644 1.00 20.44 H new ATOM 0 HD1 TYR A 77 9.159 10.461 1.006 1.00 73.32 H new ATOM 0 HD2 TYR A 77 8.290 6.531 -0.398 1.00 3.00 H new ATOM 0 HE1 TYR A 77 11.113 10.559 -0.477 1.00 53.50 H new ATOM 0 HE2 TYR A 77 10.248 6.626 -1.876 1.00 41.32 H new ATOM 0 HH TYR A 77 11.965 7.815 -2.597 1.00 42.52 H new ATOM 1297 N VAL A 78 4.525 7.113 0.937 1.00 64.12 N ATOM 1298 CA VAL A 78 3.385 6.405 1.506 1.00 62.43 C ATOM 1299 C VAL A 78 3.551 4.895 1.369 1.00 3.34 C ATOM 1300 O VAL A 78 4.173 4.397 0.431 1.00 43.24 O ATOM 1301 CB VAL A 78 2.068 6.828 0.832 1.00 33.14 C ATOM 1302 CG1 VAL A 78 1.685 8.242 1.247 1.00 22.43 C ATOM 1303 CG2 VAL A 78 2.185 6.722 -0.680 1.00 4.43 C ATOM 0 H VAL A 78 5.012 6.604 0.199 1.00 64.12 H new ATOM 0 HA VAL A 78 3.345 6.669 2.563 1.00 62.43 H new ATOM 0 HB VAL A 78 1.279 6.152 1.161 1.00 33.14 H new ATOM 0 HG11 VAL A 78 0.751 8.524 0.760 1.00 22.43 H new ATOM 0 HG12 VAL A 78 1.557 8.282 2.329 1.00 22.43 H new ATOM 0 HG13 VAL A 78 2.472 8.934 0.949 1.00 22.43 H new ATOM 0 HG21 VAL A 78 1.244 7.025 -1.140 1.00 4.43 H new ATOM 0 HG22 VAL A 78 2.986 7.373 -1.029 1.00 4.43 H new ATOM 0 HG23 VAL A 78 2.409 5.692 -0.956 1.00 4.43 H new ATOM 1313 N PRO A 79 2.983 4.147 2.326 1.00 0.12 N ATOM 1314 CA PRO A 79 3.053 2.683 2.334 1.00 14.13 C ATOM 1315 C PRO A 79 2.225 2.058 1.216 1.00 12.12 C ATOM 1316 O PRO A 79 1.027 2.314 1.100 1.00 21.23 O ATOM 1317 CB PRO A 79 2.475 2.307 3.700 1.00 3.34 C ATOM 1318 CG PRO A 79 1.587 3.447 4.063 1.00 73.42 C ATOM 1319 CD PRO A 79 2.225 4.675 3.475 1.00 74.14 C ATOM 0 HA PRO A 79 4.069 2.323 2.172 1.00 14.13 H new ATOM 0 HB2 PRO A 79 1.918 1.372 3.650 1.00 3.34 H new ATOM 0 HB3 PRO A 79 3.264 2.169 4.439 1.00 3.34 H new ATOM 0 HG2 PRO A 79 0.583 3.301 3.665 1.00 73.42 H new ATOM 0 HG3 PRO A 79 1.491 3.537 5.145 1.00 73.42 H new ATOM 0 HD2 PRO A 79 1.479 5.406 3.163 1.00 74.14 H new ATOM 0 HD3 PRO A 79 2.877 5.172 4.193 1.00 74.14 H new ATOM 1327 N SER A 80 2.872 1.237 0.396 1.00 62.34 N ATOM 1328 CA SER A 80 2.197 0.576 -0.715 1.00 0.53 C ATOM 1329 C SER A 80 1.062 -0.309 -0.212 1.00 74.41 C ATOM 1330 O SER A 80 0.184 -0.707 -0.977 1.00 33.54 O ATOM 1331 CB SER A 80 3.193 -0.260 -1.520 1.00 54.14 C ATOM 1332 OG SER A 80 3.605 -1.403 -0.792 1.00 63.52 O ATOM 0 H SER A 80 3.864 1.013 0.480 1.00 62.34 H new ATOM 0 HA SER A 80 1.775 1.346 -1.361 1.00 0.53 H new ATOM 0 HB2 SER A 80 2.737 -0.569 -2.460 1.00 54.14 H new ATOM 0 HB3 SER A 80 4.062 0.347 -1.772 1.00 54.14 H new ATOM 0 HG SER A 80 4.521 -1.273 -0.469 1.00 63.52 H new ATOM 1338 N ASN A 81 1.086 -0.613 1.082 1.00 43.05 N ATOM 1339 CA ASN A 81 0.059 -1.452 1.690 1.00 73.25 C ATOM 1340 C ASN A 81 -1.255 -0.690 1.827 1.00 44.33 C ATOM 1341 O ASN A 81 -2.334 -1.284 1.812 1.00 32.24 O ATOM 1342 CB ASN A 81 0.521 -1.947 3.062 1.00 43.21 C ATOM 1343 CG ASN A 81 1.353 -3.211 2.972 1.00 44.12 C ATOM 1344 OD1 ASN A 81 1.665 -3.685 1.879 1.00 52.44 O ATOM 1345 ND2 ASN A 81 1.720 -3.763 4.123 1.00 54.10 N ATOM 0 H ASN A 81 1.805 -0.291 1.730 1.00 43.05 H new ATOM 0 HA ASN A 81 -0.106 -2.310 1.039 1.00 73.25 H new ATOM 0 HB2 ASN A 81 1.104 -1.166 3.549 1.00 43.21 H new ATOM 0 HB3 ASN A 81 -0.350 -2.133 3.690 1.00 43.21 H new ATOM 0 HD21 ASN A 81 2.283 -4.614 4.124 1.00 54.10 H new ATOM 0 HD22 ASN A 81 1.439 -3.336 5.006 1.00 54.10 H new ATOM 1352 N TYR A 82 -1.157 0.627 1.960 1.00 33.21 N ATOM 1353 CA TYR A 82 -2.337 1.472 2.102 1.00 52.43 C ATOM 1354 C TYR A 82 -2.718 2.105 0.768 1.00 53.51 C ATOM 1355 O TYR A 82 -3.652 2.903 0.689 1.00 4.55 O ATOM 1356 CB TYR A 82 -2.088 2.563 3.145 1.00 64.31 C ATOM 1357 CG TYR A 82 -1.899 2.029 4.547 1.00 1.41 C ATOM 1358 CD1 TYR A 82 -0.752 1.327 4.895 1.00 32.41 C ATOM 1359 CD2 TYR A 82 -2.866 2.228 5.522 1.00 33.23 C ATOM 1360 CE1 TYR A 82 -0.576 0.837 6.175 1.00 31.22 C ATOM 1361 CE2 TYR A 82 -2.699 1.743 6.805 1.00 1.12 C ATOM 1362 CZ TYR A 82 -1.551 1.048 7.127 1.00 53.11 C ATOM 1363 OH TYR A 82 -1.379 0.563 8.402 1.00 1.22 O ATOM 0 H TYR A 82 -0.272 1.134 1.973 1.00 33.21 H new ATOM 0 HA TYR A 82 -3.163 0.844 2.434 1.00 52.43 H new ATOM 0 HB2 TYR A 82 -1.203 3.132 2.859 1.00 64.31 H new ATOM 0 HB3 TYR A 82 -2.928 3.257 3.140 1.00 64.31 H new ATOM 0 HD1 TYR A 82 0.015 1.161 4.153 1.00 32.41 H new ATOM 0 HD2 TYR A 82 -3.765 2.772 5.274 1.00 33.23 H new ATOM 0 HE1 TYR A 82 0.321 0.291 6.429 1.00 31.22 H new ATOM 0 HE2 TYR A 82 -3.462 1.907 7.551 1.00 1.12 H new ATOM 0 HH TYR A 82 -1.217 -0.403 8.366 1.00 1.22 H new ATOM 1373 N VAL A 83 -1.988 1.741 -0.282 1.00 1.43 N ATOM 1374 CA VAL A 83 -2.248 2.271 -1.615 1.00 50.20 C ATOM 1375 C VAL A 83 -2.317 1.152 -2.648 1.00 24.23 C ATOM 1376 O VAL A 83 -1.812 0.053 -2.421 1.00 44.42 O ATOM 1377 CB VAL A 83 -1.164 3.280 -2.040 1.00 74.40 C ATOM 1378 CG1 VAL A 83 -0.018 2.569 -2.740 1.00 53.44 C ATOM 1379 CG2 VAL A 83 -1.761 4.358 -2.933 1.00 53.31 C ATOM 0 H VAL A 83 -1.212 1.081 -0.235 1.00 1.43 H new ATOM 0 HA VAL A 83 -3.211 2.780 -1.570 1.00 50.20 H new ATOM 0 HB VAL A 83 -0.768 3.761 -1.145 1.00 74.40 H new ATOM 0 HG11 VAL A 83 0.738 3.298 -3.033 1.00 53.44 H new ATOM 0 HG12 VAL A 83 0.425 1.839 -2.063 1.00 53.44 H new ATOM 0 HG13 VAL A 83 -0.394 2.060 -3.627 1.00 53.44 H new ATOM 0 HG21 VAL A 83 -0.982 5.062 -3.224 1.00 53.31 H new ATOM 0 HG22 VAL A 83 -2.185 3.898 -3.825 1.00 53.31 H new ATOM 0 HG23 VAL A 83 -2.544 4.887 -2.390 1.00 53.31 H new ATOM 1389 N GLU A 84 -2.947 1.440 -3.784 1.00 32.54 N ATOM 1390 CA GLU A 84 -3.082 0.456 -4.850 1.00 72.12 C ATOM 1391 C GLU A 84 -3.388 1.137 -6.181 1.00 60.03 C ATOM 1392 O GLU A 84 -4.329 1.924 -6.287 1.00 22.04 O ATOM 1393 CB GLU A 84 -4.187 -0.547 -4.512 1.00 54.34 C ATOM 1394 CG GLU A 84 -5.588 0.034 -4.608 1.00 42.43 C ATOM 1395 CD GLU A 84 -6.206 -0.153 -5.980 1.00 71.43 C ATOM 1396 OE1 GLU A 84 -6.190 -1.296 -6.486 1.00 33.50 O ATOM 1397 OE2 GLU A 84 -6.704 0.841 -6.548 1.00 63.20 O ATOM 0 H GLU A 84 -3.371 2.345 -3.988 1.00 32.54 H new ATOM 0 HA GLU A 84 -2.135 -0.076 -4.942 1.00 72.12 H new ATOM 0 HB2 GLU A 84 -4.110 -1.400 -5.186 1.00 54.34 H new ATOM 0 HB3 GLU A 84 -4.028 -0.923 -3.502 1.00 54.34 H new ATOM 0 HG2 GLU A 84 -6.225 -0.438 -3.860 1.00 42.43 H new ATOM 0 HG3 GLU A 84 -5.553 1.097 -4.372 1.00 42.43 H new ATOM 1404 N ARG A 85 -2.586 0.828 -7.195 1.00 63.01 N ATOM 1405 CA ARG A 85 -2.768 1.411 -8.519 1.00 53.54 C ATOM 1406 C ARG A 85 -3.965 0.783 -9.229 1.00 63.14 C ATOM 1407 O ARG A 85 -4.413 -0.306 -8.870 1.00 65.30 O ATOM 1408 CB ARG A 85 -1.506 1.223 -9.362 1.00 71.11 C ATOM 1409 CG ARG A 85 -1.090 -0.230 -9.521 1.00 75.34 C ATOM 1410 CD ARG A 85 -1.830 -0.900 -10.669 1.00 31.44 C ATOM 1411 NE ARG A 85 -2.689 -1.987 -10.206 1.00 54.24 N ATOM 1412 CZ ARG A 85 -3.189 -2.919 -11.009 1.00 62.24 C ATOM 1413 NH1 ARG A 85 -2.917 -2.898 -12.306 1.00 61.52 N ATOM 1414 NH2 ARG A 85 -3.962 -3.878 -10.514 1.00 30.35 N ATOM 0 H ARG A 85 -1.804 0.177 -7.125 1.00 63.01 H new ATOM 0 HA ARG A 85 -2.958 2.477 -8.395 1.00 53.54 H new ATOM 0 HB2 ARG A 85 -1.671 1.655 -10.349 1.00 71.11 H new ATOM 0 HB3 ARG A 85 -0.687 1.778 -8.904 1.00 71.11 H new ATOM 0 HG2 ARG A 85 -0.016 -0.285 -9.698 1.00 75.34 H new ATOM 0 HG3 ARG A 85 -1.288 -0.770 -8.595 1.00 75.34 H new ATOM 0 HD2 ARG A 85 -2.434 -0.159 -11.193 1.00 31.44 H new ATOM 0 HD3 ARG A 85 -1.109 -1.289 -11.388 1.00 31.44 H new ATOM 0 HE ARG A 85 -2.917 -2.033 -9.213 1.00 54.24 H new ATOM 0 HH11 ARG A 85 -2.322 -2.164 -12.690 1.00 61.52 H new ATOM 0 HH12 ARG A 85 -3.303 -3.616 -12.920 1.00 61.52 H new ATOM 0 HH21 ARG A 85 -4.172 -3.899 -9.516 1.00 30.35 H new ATOM 0 HH22 ARG A 85 -4.346 -4.593 -11.132 1.00 30.35 H new ATOM 1428 N LYS A 86 -4.478 1.477 -10.239 1.00 21.11 N ATOM 1429 CA LYS A 86 -5.621 0.989 -11.001 1.00 14.04 C ATOM 1430 C LYS A 86 -5.164 0.168 -12.203 1.00 42.11 C ATOM 1431 O LYS A 86 -5.976 -0.457 -12.886 1.00 21.42 O ATOM 1432 CB LYS A 86 -6.486 2.161 -11.470 1.00 2.30 C ATOM 1433 CG LYS A 86 -5.753 3.130 -12.383 1.00 14.12 C ATOM 1434 CD LYS A 86 -6.601 4.353 -12.693 1.00 74.03 C ATOM 1435 CE LYS A 86 -7.386 4.175 -13.984 1.00 23.21 C ATOM 1436 NZ LYS A 86 -6.618 4.646 -15.169 1.00 65.31 N ATOM 0 H LYS A 86 -4.120 2.380 -10.549 1.00 21.11 H new ATOM 0 HA LYS A 86 -6.213 0.347 -10.348 1.00 14.04 H new ATOM 0 HB2 LYS A 86 -7.359 1.771 -11.994 1.00 2.30 H new ATOM 0 HB3 LYS A 86 -6.853 2.703 -10.598 1.00 2.30 H new ATOM 0 HG2 LYS A 86 -4.821 3.442 -11.911 1.00 14.12 H new ATOM 0 HG3 LYS A 86 -5.487 2.626 -13.312 1.00 14.12 H new ATOM 0 HD2 LYS A 86 -7.291 4.537 -11.869 1.00 74.03 H new ATOM 0 HD3 LYS A 86 -5.960 5.231 -12.774 1.00 74.03 H new ATOM 0 HE2 LYS A 86 -7.642 3.123 -14.112 1.00 23.21 H new ATOM 0 HE3 LYS A 86 -8.325 4.725 -13.917 1.00 23.21 H new ATOM 0 HZ1 LYS A 86 -7.187 4.508 -16.029 1.00 65.31 H new ATOM 0 HZ2 LYS A 86 -6.396 5.656 -15.060 1.00 65.31 H new ATOM 0 HZ3 LYS A 86 -5.734 4.104 -15.248 1.00 65.31 H new