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= 0.387 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.512 K(o=0.9,f=2.2) USER MOD Single : A 11 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0.658 (180deg=-1.18!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.3) USER MOD Single : A 46 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.5) 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= -0.235 K(o=-0.23,f=-1.3!) 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= -6.21! C(o=-6.2!,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.679 X(o=-0.68,f=-0.62) USER MOD Single : A 75 THR OG1 : rot 48:sc= 0.00849 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.122 USER MOD Single : A 80 SER OG : rot 104:sc= 1.89 USER MOD Single : A 81 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.8!) USER MOD Single : A 82 TYR OH : rot 87:sc= 1.24 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.937 -3.974 12.216 1.00 30.52 N ATOM 74 CA ARG A 5 -8.211 -3.077 11.325 1.00 23.22 C ATOM 75 C ARG A 5 -7.013 -3.786 10.699 1.00 23.02 C ATOM 76 O ARG A 5 -6.538 -4.808 11.194 1.00 42.00 O ATOM 77 CB ARG A 5 -7.743 -1.836 12.087 1.00 4.04 C ATOM 78 CG ARG A 5 -8.743 -0.692 12.060 1.00 0.24 C ATOM 79 CD ARG A 5 -9.854 -0.897 13.077 1.00 61.14 C ATOM 80 NE ARG A 5 -11.097 -0.250 12.668 1.00 12.01 N ATOM 81 CZ ARG A 5 -12.204 -0.254 13.403 1.00 31.02 C ATOM 82 NH1 ARG A 5 -12.222 -0.869 14.577 1.00 20.14 N ATOM 83 NH2 ARG A 5 -13.297 0.357 12.962 1.00 53.34 N ATOM 0 HA ARG A 5 -8.888 -2.771 10.527 1.00 23.22 H new ATOM 0 HB2 ARG A 5 -7.545 -2.110 13.123 1.00 4.04 H new ATOM 0 HB3 ARG A 5 -6.800 -1.493 11.662 1.00 4.04 H new ATOM 0 HG2 ARG A 5 -8.229 0.247 12.266 1.00 0.24 H new ATOM 0 HG3 ARG A 5 -9.173 -0.607 11.062 1.00 0.24 H new ATOM 0 HD2 ARG A 5 -10.029 -1.964 13.213 1.00 61.14 H new ATOM 0 HD3 ARG A 5 -9.539 -0.500 14.042 1.00 61.14 H new ATOM 0 HE ARG A 5 -11.117 0.231 11.769 1.00 12.01 H new ATOM 0 HH11 ARG A 5 -11.385 -1.341 14.918 1.00 20.14 H new ATOM 0 HH12 ARG A 5 -13.073 -0.870 15.139 1.00 20.14 H new ATOM 0 HH21 ARG A 5 -13.287 0.830 12.058 1.00 53.34 H new ATOM 0 HH22 ARG A 5 -14.146 0.353 13.527 1.00 53.34 H new ATOM 97 N PRO A 6 -6.513 -3.230 9.586 1.00 41.35 N ATOM 98 CA PRO A 6 -5.365 -3.792 8.868 1.00 65.21 C ATOM 99 C PRO A 6 -4.063 -3.638 9.646 1.00 34.33 C ATOM 100 O PRO A 6 -3.985 -2.906 10.634 1.00 51.11 O ATOM 101 CB PRO A 6 -5.317 -2.971 7.578 1.00 14.22 C ATOM 102 CG PRO A 6 -5.972 -1.679 7.925 1.00 11.14 C ATOM 103 CD PRO A 6 -7.030 -2.012 8.940 1.00 12.32 C ATOM 0 HA PRO A 6 -5.472 -4.864 8.703 1.00 65.21 H new ATOM 0 HB2 PRO A 6 -4.291 -2.817 7.245 1.00 14.22 H new ATOM 0 HB3 PRO A 6 -5.843 -3.476 6.768 1.00 14.22 H new ATOM 0 HG2 PRO A 6 -5.249 -0.972 8.332 1.00 11.14 H new ATOM 0 HG3 PRO A 6 -6.411 -1.214 7.042 1.00 11.14 H new ATOM 0 HD2 PRO A 6 -7.166 -1.203 9.658 1.00 12.32 H new ATOM 0 HD3 PRO A 6 -7.997 -2.187 8.469 1.00 12.32 H new ATOM 111 N PRO A 7 -3.014 -4.340 9.194 1.00 32.12 N ATOM 112 CA PRO A 7 -1.696 -4.296 9.833 1.00 52.13 C ATOM 113 C PRO A 7 -1.002 -2.952 9.639 1.00 33.32 C ATOM 114 O PRO A 7 -1.427 -2.117 8.840 1.00 21.44 O ATOM 115 CB PRO A 7 -0.920 -5.406 9.120 1.00 31.13 C ATOM 116 CG PRO A 7 -1.581 -5.539 7.792 1.00 42.12 C ATOM 117 CD PRO A 7 -3.036 -5.232 8.022 1.00 71.21 C ATOM 0 HA PRO A 7 -1.762 -4.428 10.913 1.00 52.13 H new ATOM 0 HB2 PRO A 7 0.133 -5.147 9.013 1.00 31.13 H new ATOM 0 HB3 PRO A 7 -0.963 -6.341 9.679 1.00 31.13 H new ATOM 0 HG2 PRO A 7 -1.146 -4.849 7.069 1.00 42.12 H new ATOM 0 HG3 PRO A 7 -1.453 -6.544 7.391 1.00 42.12 H new ATOM 0 HD2 PRO A 7 -3.486 -4.747 7.156 1.00 71.21 H new ATOM 0 HD3 PRO A 7 -3.612 -6.137 8.216 1.00 71.21 H new ATOM 125 N PRO A 8 0.090 -2.737 10.388 1.00 33.03 N ATOM 126 CA PRO A 8 0.864 -1.495 10.316 1.00 44.42 C ATOM 127 C PRO A 8 1.621 -1.358 8.999 1.00 75.13 C ATOM 128 O PRO A 8 1.504 -2.207 8.114 1.00 71.33 O ATOM 129 CB PRO A 8 1.845 -1.620 11.484 1.00 61.44 C ATOM 130 CG PRO A 8 1.987 -3.087 11.704 1.00 73.03 C ATOM 131 CD PRO A 8 0.651 -3.687 11.362 1.00 51.34 C ATOM 0 HA PRO A 8 0.225 -0.614 10.370 1.00 44.42 H new ATOM 0 HB2 PRO A 8 2.804 -1.161 11.246 1.00 61.44 H new ATOM 0 HB3 PRO A 8 1.465 -1.121 12.375 1.00 61.44 H new ATOM 0 HG2 PRO A 8 2.774 -3.502 11.074 1.00 73.03 H new ATOM 0 HG3 PRO A 8 2.259 -3.302 12.737 1.00 73.03 H new ATOM 0 HD2 PRO A 8 0.756 -4.685 10.936 1.00 51.34 H new ATOM 0 HD3 PRO A 8 0.016 -3.782 12.243 1.00 51.34 H new ATOM 139 N VAL A 9 2.396 -0.286 8.874 1.00 51.43 N ATOM 140 CA VAL A 9 3.172 -0.040 7.665 1.00 11.13 C ATOM 141 C VAL A 9 4.096 -1.214 7.356 1.00 1.11 C ATOM 142 O VAL A 9 4.642 -1.857 8.252 1.00 53.45 O ATOM 143 CB VAL A 9 4.015 1.243 7.789 1.00 63.44 C ATOM 144 CG1 VAL A 9 3.140 2.476 7.617 1.00 65.15 C ATOM 145 CG2 VAL A 9 4.739 1.277 9.127 1.00 62.23 C ATOM 0 H VAL A 9 2.503 0.427 9.596 1.00 51.43 H new ATOM 0 HA VAL A 9 2.458 0.081 6.851 1.00 11.13 H new ATOM 0 HB VAL A 9 4.763 1.243 6.996 1.00 63.44 H new ATOM 0 HG11 VAL A 9 3.753 3.373 7.708 1.00 65.15 H new ATOM 0 HG12 VAL A 9 2.671 2.455 6.633 1.00 65.15 H new ATOM 0 HG13 VAL A 9 2.368 2.485 8.387 1.00 65.15 H new ATOM 0 HG21 VAL A 9 5.330 2.190 9.198 1.00 62.23 H new ATOM 0 HG22 VAL A 9 4.009 1.253 9.936 1.00 62.23 H new ATOM 0 HG23 VAL A 9 5.397 0.412 9.207 1.00 62.23 H new ATOM 155 N PRO A 10 4.277 -1.499 6.059 1.00 5.50 N ATOM 156 CA PRO A 10 5.135 -2.595 5.601 1.00 41.23 C ATOM 157 C PRO A 10 6.613 -2.315 5.847 1.00 44.33 C ATOM 158 O PRO A 10 7.367 -2.040 4.913 1.00 13.42 O ATOM 159 CB PRO A 10 4.847 -2.668 4.100 1.00 50.15 C ATOM 160 CG PRO A 10 4.390 -1.299 3.733 1.00 13.14 C ATOM 161 CD PRO A 10 3.657 -0.772 4.938 1.00 52.40 C ATOM 0 HA PRO A 10 4.929 -3.524 6.134 1.00 41.23 H new ATOM 0 HB2 PRO A 10 5.738 -2.951 3.540 1.00 50.15 H new ATOM 0 HB3 PRO A 10 4.082 -3.413 3.880 1.00 50.15 H new ATOM 0 HG2 PRO A 10 5.236 -0.660 3.480 1.00 13.14 H new ATOM 0 HG3 PRO A 10 3.738 -1.326 2.860 1.00 13.14 H new ATOM 0 HD2 PRO A 10 3.778 0.306 5.042 1.00 52.40 H new ATOM 0 HD3 PRO A 10 2.587 -0.968 4.875 1.00 52.40 H new ATOM 169 N ASN A 11 7.024 -2.387 7.109 1.00 12.15 N ATOM 170 CA ASN A 11 8.413 -2.140 7.477 1.00 51.14 C ATOM 171 C ASN A 11 9.005 -1.011 6.639 1.00 62.50 C ATOM 172 O ASN A 11 9.664 -1.237 5.623 1.00 34.11 O ATOM 173 CB ASN A 11 9.243 -3.413 7.297 1.00 40.13 C ATOM 174 CG ASN A 11 8.855 -4.186 6.052 1.00 13.12 C ATOM 175 OD1 ASN A 11 7.971 -5.042 6.090 1.00 73.22 O ATOM 176 ND2 ASN A 11 9.515 -3.887 4.939 1.00 33.31 N ATOM 0 H ASN A 11 6.414 -2.615 7.894 1.00 12.15 H new ATOM 0 HA ASN A 11 8.438 -1.842 8.525 1.00 51.14 H new ATOM 0 HB2 ASN A 11 10.299 -3.150 7.243 1.00 40.13 H new ATOM 0 HB3 ASN A 11 9.118 -4.052 8.171 1.00 40.13 H new ATOM 0 HD21 ASN A 11 9.296 -4.374 4.070 1.00 33.31 H new ATOM 0 HD22 ASN A 11 10.241 -3.170 4.953 1.00 33.31 H new ATOM 183 N PRO A 12 8.768 0.235 7.075 1.00 34.30 N ATOM 184 CA PRO A 12 9.271 1.426 6.381 1.00 34.42 C ATOM 185 C PRO A 12 10.784 1.568 6.498 1.00 41.33 C ATOM 186 O PRO A 12 11.354 1.380 7.571 1.00 50.23 O ATOM 187 CB PRO A 12 8.567 2.578 7.100 1.00 24.54 C ATOM 188 CG PRO A 12 8.261 2.048 8.459 1.00 44.02 C ATOM 189 CD PRO A 12 7.991 0.579 8.278 1.00 32.12 C ATOM 0 HA PRO A 12 9.072 1.390 5.310 1.00 34.42 H new ATOM 0 HB2 PRO A 12 9.205 3.460 7.154 1.00 24.54 H new ATOM 0 HB3 PRO A 12 7.658 2.874 6.577 1.00 24.54 H new ATOM 0 HG2 PRO A 12 9.097 2.210 9.139 1.00 44.02 H new ATOM 0 HG3 PRO A 12 7.397 2.554 8.890 1.00 44.02 H new ATOM 0 HD2 PRO A 12 8.314 0.001 9.144 1.00 32.12 H new ATOM 0 HD3 PRO A 12 6.928 0.380 8.141 1.00 32.12 H new ATOM 197 N ASP A 13 11.429 1.903 5.385 1.00 14.15 N ATOM 198 CA ASP A 13 12.877 2.073 5.362 1.00 14.24 C ATOM 199 C ASP A 13 13.259 3.372 4.660 1.00 65.25 C ATOM 200 O ASP A 13 14.221 3.413 3.891 1.00 14.43 O ATOM 201 CB ASP A 13 13.540 0.886 4.662 1.00 64.04 C ATOM 202 CG ASP A 13 14.852 0.489 5.312 1.00 34.34 C ATOM 203 OD1 ASP A 13 14.929 -0.633 5.855 1.00 43.13 O ATOM 204 OD2 ASP A 13 15.799 1.300 5.279 1.00 4.53 O ATOM 0 H ASP A 13 10.972 2.062 4.487 1.00 14.15 H new ATOM 0 HA ASP A 13 13.230 2.120 6.392 1.00 14.24 H new ATOM 0 HB2 ASP A 13 12.860 0.035 4.674 1.00 64.04 H new ATOM 0 HB3 ASP A 13 13.717 1.137 3.616 1.00 64.04 H new ATOM 210 N TYR A 14 12.504 4.430 4.930 1.00 40.11 N ATOM 211 CA TYR A 14 12.762 5.729 4.321 1.00 24.33 C ATOM 212 C TYR A 14 13.977 6.397 4.959 1.00 62.51 C ATOM 213 O TYR A 14 14.571 7.308 4.384 1.00 44.20 O ATOM 214 CB TYR A 14 11.537 6.635 4.462 1.00 72.22 C ATOM 215 CG TYR A 14 11.009 6.723 5.876 1.00 14.24 C ATOM 216 CD1 TYR A 14 11.745 7.346 6.876 1.00 21.12 C ATOM 217 CD2 TYR A 14 9.773 6.183 6.213 1.00 44.30 C ATOM 218 CE1 TYR A 14 11.268 7.430 8.169 1.00 55.02 C ATOM 219 CE2 TYR A 14 9.287 6.264 7.503 1.00 62.43 C ATOM 220 CZ TYR A 14 10.038 6.888 8.478 1.00 51.23 C ATOM 221 OH TYR A 14 9.557 6.967 9.765 1.00 4.30 O ATOM 0 H TYR A 14 11.708 4.414 5.567 1.00 40.11 H new ATOM 0 HA TYR A 14 12.969 5.571 3.263 1.00 24.33 H new ATOM 0 HB2 TYR A 14 11.794 7.636 4.116 1.00 72.22 H new ATOM 0 HB3 TYR A 14 10.745 6.266 3.810 1.00 72.22 H new ATOM 0 HD1 TYR A 14 12.708 7.773 6.638 1.00 21.12 H new ATOM 0 HD2 TYR A 14 9.183 5.692 5.453 1.00 44.30 H new ATOM 0 HE1 TYR A 14 11.855 7.917 8.934 1.00 55.02 H new ATOM 0 HE2 TYR A 14 8.324 5.841 7.748 1.00 62.43 H new ATOM 0 HH TYR A 14 8.677 6.537 9.812 1.00 4.30 H new ATOM 491 N GLU A 31 3.817 8.720 -16.745 1.00 22.14 N ATOM 492 CA GLU A 31 2.753 9.377 -15.995 1.00 13.22 C ATOM 493 C GLU A 31 1.805 8.350 -15.381 1.00 4.22 C ATOM 494 O GLU A 31 0.759 8.038 -15.949 1.00 34.11 O ATOM 495 CB GLU A 31 1.971 10.328 -16.905 1.00 23.33 C ATOM 496 CG GLU A 31 1.510 9.688 -18.203 1.00 1.34 C ATOM 497 CD GLU A 31 2.385 10.067 -19.382 1.00 60.41 C ATOM 498 OE1 GLU A 31 3.615 10.176 -19.197 1.00 30.22 O ATOM 499 OE2 GLU A 31 1.839 10.255 -20.490 1.00 64.43 O ATOM 0 HA GLU A 31 3.212 9.950 -15.189 1.00 13.22 H new ATOM 0 HB2 GLU A 31 1.101 10.701 -16.365 1.00 23.33 H new ATOM 0 HB3 GLU A 31 2.596 11.191 -17.137 1.00 23.33 H new ATOM 0 HG2 GLU A 31 1.509 8.604 -18.089 1.00 1.34 H new ATOM 0 HG3 GLU A 31 0.482 9.988 -18.407 1.00 1.34 H new ATOM 506 N VAL A 32 2.181 7.830 -14.218 1.00 42.45 N ATOM 507 CA VAL A 32 1.366 6.838 -13.524 1.00 13.43 C ATOM 508 C VAL A 32 0.585 7.471 -12.380 1.00 71.11 C ATOM 509 O VAL A 32 0.959 8.529 -11.872 1.00 25.13 O ATOM 510 CB VAL A 32 2.230 5.690 -12.969 1.00 51.12 C ATOM 511 CG1 VAL A 32 1.358 4.509 -12.572 1.00 74.32 C ATOM 512 CG2 VAL A 32 3.278 5.270 -13.990 1.00 34.11 C ATOM 0 H VAL A 32 3.045 8.078 -13.735 1.00 42.45 H new ATOM 0 HA VAL A 32 0.667 6.435 -14.257 1.00 13.43 H new ATOM 0 HB VAL A 32 2.746 6.046 -12.077 1.00 51.12 H new ATOM 0 HG11 VAL A 32 1.986 3.708 -12.182 1.00 74.32 H new ATOM 0 HG12 VAL A 32 0.650 4.821 -11.804 1.00 74.32 H new ATOM 0 HG13 VAL A 32 0.812 4.150 -13.445 1.00 74.32 H new ATOM 0 HG21 VAL A 32 3.879 4.458 -13.581 1.00 34.11 H new ATOM 0 HG22 VAL A 32 2.784 4.932 -14.901 1.00 34.11 H new ATOM 0 HG23 VAL A 32 3.922 6.118 -14.220 1.00 34.11 H new ATOM 522 N ILE A 33 -0.500 6.820 -11.979 1.00 71.40 N ATOM 523 CA ILE A 33 -1.333 7.319 -10.890 1.00 54.14 C ATOM 524 C ILE A 33 -1.778 6.184 -9.974 1.00 3.21 C ATOM 525 O ILE A 33 -2.207 5.127 -10.438 1.00 4.53 O ATOM 526 CB ILE A 33 -2.578 8.049 -11.426 1.00 32.20 C ATOM 527 CG1 ILE A 33 -2.177 9.368 -12.091 1.00 74.21 C ATOM 528 CG2 ILE A 33 -3.571 8.297 -10.300 1.00 4.42 C ATOM 529 CD1 ILE A 33 -3.335 10.096 -12.736 1.00 53.10 C ATOM 0 H ILE A 33 -0.824 5.945 -12.391 1.00 71.40 H new ATOM 0 HA ILE A 33 -0.724 8.023 -10.322 1.00 54.14 H new ATOM 0 HB ILE A 33 -3.057 7.418 -12.175 1.00 32.20 H new ATOM 0 HG12 ILE A 33 -1.720 10.018 -11.344 1.00 74.21 H new ATOM 0 HG13 ILE A 33 -1.418 9.168 -12.847 1.00 74.21 H new ATOM 0 HG21 ILE A 33 -4.446 8.814 -10.694 1.00 4.42 H new ATOM 0 HG22 ILE A 33 -3.876 7.344 -9.868 1.00 4.42 H new ATOM 0 HG23 ILE A 33 -3.103 8.911 -9.531 1.00 4.42 H new ATOM 0 HD11 ILE A 33 -2.977 11.021 -13.187 1.00 53.10 H new ATOM 0 HD12 ILE A 33 -3.778 9.465 -13.506 1.00 53.10 H new ATOM 0 HD13 ILE A 33 -4.086 10.327 -11.980 1.00 53.10 H new ATOM 541 N VAL A 34 -1.674 6.410 -8.668 1.00 2.35 N ATOM 542 CA VAL A 34 -2.067 5.409 -7.684 1.00 13.53 C ATOM 543 C VAL A 34 -3.341 5.827 -6.957 1.00 61.34 C ATOM 544 O VAL A 34 -3.850 6.928 -7.157 1.00 24.13 O ATOM 545 CB VAL A 34 -0.952 5.171 -6.650 1.00 71.41 C ATOM 546 CG1 VAL A 34 -1.115 6.107 -5.463 1.00 10.21 C ATOM 547 CG2 VAL A 34 -0.949 3.718 -6.197 1.00 30.13 C ATOM 0 H VAL A 34 -1.320 7.279 -8.267 1.00 2.35 H new ATOM 0 HA VAL A 34 -2.249 4.482 -8.228 1.00 13.53 H new ATOM 0 HB VAL A 34 0.008 5.384 -7.120 1.00 71.41 H new ATOM 0 HG11 VAL A 34 -0.318 5.924 -4.743 1.00 10.21 H new ATOM 0 HG12 VAL A 34 -1.064 7.141 -5.805 1.00 10.21 H new ATOM 0 HG13 VAL A 34 -2.080 5.929 -4.989 1.00 10.21 H new ATOM 0 HG21 VAL A 34 -0.155 3.566 -5.466 1.00 30.13 H new ATOM 0 HG22 VAL A 34 -1.910 3.476 -5.744 1.00 30.13 H new ATOM 0 HG23 VAL A 34 -0.780 3.069 -7.056 1.00 30.13 H new ATOM 557 N ILE A 35 -3.850 4.937 -6.111 1.00 72.44 N ATOM 558 CA ILE A 35 -5.063 5.212 -5.351 1.00 1.00 C ATOM 559 C ILE A 35 -4.941 4.708 -3.918 1.00 32.54 C ATOM 560 O ILE A 35 -4.664 3.532 -3.684 1.00 70.22 O ATOM 561 CB ILE A 35 -6.298 4.566 -6.008 1.00 24.53 C ATOM 562 CG1 ILE A 35 -6.479 5.091 -7.432 1.00 11.41 C ATOM 563 CG2 ILE A 35 -7.542 4.836 -5.175 1.00 61.10 C ATOM 564 CD1 ILE A 35 -7.681 4.510 -8.143 1.00 51.22 C ATOM 0 H ILE A 35 -3.441 4.019 -5.935 1.00 72.44 H new ATOM 0 HA ILE A 35 -5.191 6.294 -5.342 1.00 1.00 H new ATOM 0 HB ILE A 35 -6.144 3.488 -6.056 1.00 24.53 H new ATOM 0 HG12 ILE A 35 -6.575 6.176 -7.401 1.00 11.41 H new ATOM 0 HG13 ILE A 35 -5.582 4.867 -8.010 1.00 11.41 H new ATOM 0 HG21 ILE A 35 -8.406 4.374 -5.652 1.00 61.10 H new ATOM 0 HG22 ILE A 35 -7.410 4.417 -4.178 1.00 61.10 H new ATOM 0 HG23 ILE A 35 -7.702 5.911 -5.098 1.00 61.10 H new ATOM 0 HD11 ILE A 35 -7.746 4.928 -9.148 1.00 51.22 H new ATOM 0 HD12 ILE A 35 -7.578 3.427 -8.206 1.00 51.22 H new ATOM 0 HD13 ILE A 35 -8.586 4.756 -7.588 1.00 51.22 H new ATOM 576 N ALA A 36 -5.150 5.606 -2.960 1.00 73.25 N ATOM 577 CA ALA A 36 -5.066 5.251 -1.549 1.00 55.13 C ATOM 578 C ALA A 36 -6.243 4.372 -1.133 1.00 45.21 C ATOM 579 O ALA A 36 -7.380 4.835 -1.054 1.00 11.12 O ATOM 580 CB ALA A 36 -5.016 6.508 -0.691 1.00 54.14 C ATOM 0 H ALA A 36 -5.379 6.584 -3.136 1.00 73.25 H new ATOM 0 HA ALA A 36 -4.149 4.682 -1.397 1.00 55.13 H new ATOM 0 HB1 ALA A 36 -4.953 6.228 0.361 1.00 54.14 H new ATOM 0 HB2 ALA A 36 -4.141 7.099 -0.962 1.00 54.14 H new ATOM 0 HB3 ALA A 36 -5.918 7.098 -0.857 1.00 54.14 H new ATOM 586 N LYS A 37 -5.959 3.100 -0.870 1.00 42.11 N ATOM 587 CA LYS A 37 -6.993 2.156 -0.462 1.00 25.25 C ATOM 588 C LYS A 37 -7.784 2.694 0.725 1.00 71.43 C ATOM 589 O LYS A 37 -8.982 2.440 0.851 1.00 21.24 O ATOM 590 CB LYS A 37 -6.366 0.808 -0.102 1.00 40.35 C ATOM 591 CG LYS A 37 -5.519 0.215 -1.214 1.00 61.23 C ATOM 592 CD LYS A 37 -5.391 -1.294 -1.074 1.00 23.04 C ATOM 593 CE LYS A 37 -4.028 -1.688 -0.526 1.00 73.43 C ATOM 594 NZ LYS A 37 -3.267 -2.535 -1.486 1.00 71.22 N ATOM 0 H LYS A 37 -5.023 2.700 -0.932 1.00 42.11 H new ATOM 0 HA LYS A 37 -7.677 2.020 -1.299 1.00 25.25 H new ATOM 0 HB2 LYS A 37 -5.749 0.930 0.788 1.00 40.35 H new ATOM 0 HB3 LYS A 37 -7.159 0.105 0.154 1.00 40.35 H new ATOM 0 HG2 LYS A 37 -5.964 0.455 -2.179 1.00 61.23 H new ATOM 0 HG3 LYS A 37 -4.528 0.668 -1.199 1.00 61.23 H new ATOM 0 HD2 LYS A 37 -6.172 -1.667 -0.412 1.00 23.04 H new ATOM 0 HD3 LYS A 37 -5.544 -1.765 -2.045 1.00 23.04 H new ATOM 0 HE2 LYS A 37 -3.454 -0.789 -0.301 1.00 73.43 H new ATOM 0 HE3 LYS A 37 -4.156 -2.228 0.412 1.00 73.43 H new ATOM 0 HZ1 LYS A 37 -2.653 -3.190 -0.960 1.00 71.22 H new ATOM 0 HZ2 LYS A 37 -3.932 -3.079 -2.072 1.00 71.22 H new ATOM 0 HZ3 LYS A 37 -2.684 -1.929 -2.097 1.00 71.22 H new ATOM 608 N TRP A 38 -7.108 3.439 1.592 1.00 11.43 N ATOM 609 CA TRP A 38 -7.749 4.015 2.768 1.00 23.33 C ATOM 610 C TRP A 38 -7.202 5.407 3.061 1.00 63.42 C ATOM 611 O TRP A 38 -6.489 5.988 2.243 1.00 4.02 O ATOM 612 CB TRP A 38 -7.543 3.105 3.982 1.00 1.42 C ATOM 613 CG TRP A 38 -7.348 1.665 3.620 1.00 63.24 C ATOM 614 CD1 TRP A 38 -6.161 1.039 3.363 1.00 73.33 C ATOM 615 CD2 TRP A 38 -8.368 0.672 3.472 1.00 71.22 C ATOM 616 NE1 TRP A 38 -6.384 -0.284 3.063 1.00 30.44 N ATOM 617 CE2 TRP A 38 -7.730 -0.534 3.125 1.00 64.32 C ATOM 618 CE3 TRP A 38 -9.760 0.684 3.601 1.00 61.23 C ATOM 619 CZ2 TRP A 38 -8.436 -1.714 2.905 1.00 2.12 C ATOM 620 CZ3 TRP A 38 -10.459 -0.487 3.384 1.00 54.04 C ATOM 621 CH2 TRP A 38 -9.797 -1.673 3.039 1.00 62.12 C ATOM 0 H TRP A 38 -6.116 3.658 1.503 1.00 11.43 H new ATOM 0 HA TRP A 38 -8.816 4.102 2.564 1.00 23.33 H new ATOM 0 HB2 TRP A 38 -6.675 3.451 4.543 1.00 1.42 H new ATOM 0 HB3 TRP A 38 -8.406 3.192 4.643 1.00 1.42 H new ATOM 0 HD1 TRP A 38 -5.191 1.513 3.391 1.00 73.33 H new ATOM 0 HE1 TRP A 38 -5.664 -0.969 2.832 1.00 30.44 H new ATOM 0 HE3 TRP A 38 -10.280 1.593 3.866 1.00 61.23 H new ATOM 0 HZ2 TRP A 38 -7.927 -2.629 2.638 1.00 2.12 H new ATOM 0 HZ3 TRP A 38 -11.535 -0.489 3.482 1.00 54.04 H new ATOM 0 HH2 TRP A 38 -10.372 -2.572 2.876 1.00 62.12 H new ATOM 632 N ASP A 39 -7.538 5.936 4.233 1.00 53.40 N ATOM 633 CA ASP A 39 -7.078 7.260 4.633 1.00 1.34 C ATOM 634 C ASP A 39 -6.000 7.160 5.707 1.00 41.14 C ATOM 635 O ASP A 39 -6.205 6.542 6.752 1.00 31.41 O ATOM 636 CB ASP A 39 -8.251 8.097 5.148 1.00 65.31 C ATOM 637 CG ASP A 39 -9.315 7.250 5.819 1.00 11.12 C ATOM 638 OD1 ASP A 39 -8.967 6.472 6.731 1.00 63.45 O ATOM 639 OD2 ASP A 39 -10.496 7.368 5.434 1.00 71.11 O ATOM 0 H ASP A 39 -8.127 5.468 4.922 1.00 53.40 H new ATOM 0 HA ASP A 39 -6.649 7.748 3.758 1.00 1.34 H new ATOM 0 HB2 ASP A 39 -7.881 8.839 5.856 1.00 65.31 H new ATOM 0 HB3 ASP A 39 -8.696 8.644 4.317 1.00 65.31 H new ATOM 645 N TYR A 40 -4.849 7.768 5.442 1.00 13.13 N ATOM 646 CA TYR A 40 -3.736 7.744 6.384 1.00 72.14 C ATOM 647 C TYR A 40 -3.252 9.157 6.690 1.00 41.33 C ATOM 648 O TYR A 40 -3.567 10.106 5.971 1.00 33.42 O ATOM 649 CB TYR A 40 -2.585 6.908 5.824 1.00 54.24 C ATOM 650 CG TYR A 40 -1.896 6.054 6.864 1.00 64.24 C ATOM 651 CD1 TYR A 40 -2.620 5.192 7.677 1.00 51.14 C ATOM 652 CD2 TYR A 40 -0.517 6.108 7.033 1.00 51.33 C ATOM 653 CE1 TYR A 40 -1.995 4.411 8.630 1.00 42.44 C ATOM 654 CE2 TYR A 40 0.118 5.330 7.980 1.00 71.40 C ATOM 655 CZ TYR A 40 -0.625 4.483 8.776 1.00 21.33 C ATOM 656 OH TYR A 40 0.003 3.706 9.723 1.00 23.21 O ATOM 0 H TYR A 40 -4.662 8.284 4.582 1.00 13.13 H new ATOM 0 HA TYR A 40 -4.087 7.291 7.311 1.00 72.14 H new ATOM 0 HB2 TYR A 40 -2.967 6.264 5.032 1.00 54.24 H new ATOM 0 HB3 TYR A 40 -1.852 7.573 5.368 1.00 54.24 H new ATOM 0 HD1 TYR A 40 -3.692 5.131 7.562 1.00 51.14 H new ATOM 0 HD2 TYR A 40 0.068 6.771 6.412 1.00 51.33 H new ATOM 0 HE1 TYR A 40 -2.575 3.749 9.256 1.00 42.44 H new ATOM 0 HE2 TYR A 40 1.190 5.384 8.097 1.00 71.40 H new ATOM 0 HH TYR A 40 0.968 3.874 9.697 1.00 23.21 H new ATOM 666 N THR A 41 -2.478 9.291 7.764 1.00 35.03 N ATOM 667 CA THR A 41 -1.948 10.587 8.167 1.00 3.42 C ATOM 668 C THR A 41 -0.425 10.598 8.117 1.00 64.50 C ATOM 669 O THR A 41 0.229 9.690 8.630 1.00 23.41 O ATOM 670 CB THR A 41 -2.406 10.964 9.589 1.00 70.21 C ATOM 671 OG1 THR A 41 -1.898 12.255 9.942 1.00 51.44 O ATOM 672 CG2 THR A 41 -1.932 9.931 10.601 1.00 2.14 C ATOM 0 H THR A 41 -2.205 8.517 8.370 1.00 35.03 H new ATOM 0 HA THR A 41 -2.337 11.321 7.461 1.00 3.42 H new ATOM 0 HB THR A 41 -3.496 10.988 9.602 1.00 70.21 H new ATOM 0 HG1 THR A 41 -2.195 12.487 10.846 1.00 51.44 H new ATOM 0 HG21 THR A 41 -2.267 10.218 11.598 1.00 2.14 H new ATOM 0 HG22 THR A 41 -2.346 8.955 10.346 1.00 2.14 H new ATOM 0 HG23 THR A 41 -0.843 9.879 10.585 1.00 2.14 H new ATOM 680 N ALA A 42 0.136 11.630 7.497 1.00 0.35 N ATOM 681 CA ALA A 42 1.583 11.760 7.383 1.00 14.14 C ATOM 682 C ALA A 42 2.248 11.717 8.754 1.00 23.34 C ATOM 683 O ALA A 42 1.821 12.402 9.683 1.00 31.21 O ATOM 684 CB ALA A 42 1.942 13.051 6.662 1.00 50.31 C ATOM 0 H ALA A 42 -0.390 12.389 7.065 1.00 0.35 H new ATOM 0 HA ALA A 42 1.953 10.916 6.801 1.00 14.14 H new ATOM 0 HB1 ALA A 42 3.026 13.135 6.584 1.00 50.31 H new ATOM 0 HB2 ALA A 42 1.506 13.043 5.663 1.00 50.31 H new ATOM 0 HB3 ALA A 42 1.552 13.901 7.222 1.00 50.31 H new ATOM 690 N GLN A 43 3.295 10.907 8.875 1.00 53.24 N ATOM 691 CA GLN A 43 4.017 10.773 10.133 1.00 23.55 C ATOM 692 C GLN A 43 5.041 11.892 10.295 1.00 72.14 C ATOM 693 O GLN A 43 5.270 12.382 11.401 1.00 54.14 O ATOM 694 CB GLN A 43 4.715 9.414 10.205 1.00 34.50 C ATOM 695 CG GLN A 43 3.768 8.236 10.046 1.00 73.44 C ATOM 696 CD GLN A 43 3.805 7.640 8.653 1.00 54.31 C ATOM 697 OE1 GLN A 43 4.876 7.435 8.081 1.00 12.55 O ATOM 698 NE2 GLN A 43 2.633 7.358 8.098 1.00 54.11 N ATOM 0 H GLN A 43 3.662 10.333 8.116 1.00 53.24 H new ATOM 0 HA GLN A 43 3.294 10.845 10.946 1.00 23.55 H new ATOM 0 HB2 GLN A 43 5.477 9.364 9.427 1.00 34.50 H new ATOM 0 HB3 GLN A 43 5.230 9.329 11.162 1.00 34.50 H new ATOM 0 HG2 GLN A 43 4.027 7.466 10.773 1.00 73.44 H new ATOM 0 HG3 GLN A 43 2.752 8.559 10.272 1.00 73.44 H new ATOM 0 HE21 GLN A 43 1.769 7.544 8.608 1.00 54.11 H new ATOM 0 HE22 GLN A 43 2.596 6.955 7.162 1.00 54.11 H new ATOM 707 N GLN A 44 5.655 12.291 9.185 1.00 44.01 N ATOM 708 CA GLN A 44 6.655 13.352 9.205 1.00 63.03 C ATOM 709 C GLN A 44 6.621 14.156 7.911 1.00 15.13 C ATOM 710 O GLN A 44 5.771 13.928 7.048 1.00 1.00 O ATOM 711 CB GLN A 44 8.051 12.761 9.415 1.00 31.41 C ATOM 712 CG GLN A 44 8.376 11.616 8.469 1.00 51.14 C ATOM 713 CD GLN A 44 9.296 10.585 9.094 1.00 33.31 C ATOM 714 OE1 GLN A 44 10.519 10.685 8.993 1.00 75.11 O ATOM 715 NE2 GLN A 44 8.710 9.587 9.745 1.00 13.13 N ATOM 0 H GLN A 44 5.477 11.896 8.262 1.00 44.01 H new ATOM 0 HA GLN A 44 6.422 14.021 10.033 1.00 63.03 H new ATOM 0 HB2 GLN A 44 8.793 13.549 9.287 1.00 31.41 H new ATOM 0 HB3 GLN A 44 8.136 12.407 10.443 1.00 31.41 H new ATOM 0 HG2 GLN A 44 7.450 11.131 8.160 1.00 51.14 H new ATOM 0 HG3 GLN A 44 8.843 12.015 7.568 1.00 51.14 H new ATOM 0 HE21 GLN A 44 7.693 9.544 9.804 1.00 13.13 H new ATOM 0 HE22 GLN A 44 9.277 8.863 10.187 1.00 13.13 H new ATOM 724 N ASP A 45 7.548 15.098 7.781 1.00 53.30 N ATOM 725 CA ASP A 45 7.624 15.938 6.590 1.00 44.13 C ATOM 726 C ASP A 45 8.072 15.125 5.380 1.00 13.13 C ATOM 727 O ASP A 45 7.894 15.546 4.237 1.00 23.24 O ATOM 728 CB ASP A 45 8.587 17.103 6.823 1.00 33.11 C ATOM 729 CG ASP A 45 7.960 18.219 7.635 1.00 10.31 C ATOM 730 OD1 ASP A 45 8.522 18.573 8.692 1.00 43.03 O ATOM 731 OD2 ASP A 45 6.907 18.740 7.212 1.00 73.11 O ATOM 0 H ASP A 45 8.258 15.300 8.485 1.00 53.30 H new ATOM 0 HA ASP A 45 6.628 16.334 6.390 1.00 44.13 H new ATOM 0 HB2 ASP A 45 9.476 16.738 7.338 1.00 33.11 H new ATOM 0 HB3 ASP A 45 8.915 17.497 5.861 1.00 33.11 H new ATOM 737 N GLN A 46 8.655 13.958 5.639 1.00 23.20 N ATOM 738 CA GLN A 46 9.131 13.088 4.571 1.00 33.43 C ATOM 739 C GLN A 46 7.994 12.232 4.020 1.00 23.40 C ATOM 740 O GLN A 46 8.015 11.833 2.857 1.00 74.01 O ATOM 741 CB GLN A 46 10.259 12.191 5.081 1.00 44.53 C ATOM 742 CG GLN A 46 11.549 12.325 4.285 1.00 73.33 C ATOM 743 CD GLN A 46 12.567 13.215 4.970 1.00 14.44 C ATOM 744 OE1 GLN A 46 12.778 13.120 6.179 1.00 43.10 O ATOM 745 NE2 GLN A 46 13.204 14.089 4.198 1.00 54.31 N ATOM 0 H GLN A 46 8.809 13.594 6.579 1.00 23.20 H new ATOM 0 HA GLN A 46 9.512 13.716 3.766 1.00 33.43 H new ATOM 0 HB2 GLN A 46 10.459 12.431 6.125 1.00 44.53 H new ATOM 0 HB3 GLN A 46 9.929 11.153 5.050 1.00 44.53 H new ATOM 0 HG2 GLN A 46 11.981 11.336 4.132 1.00 73.33 H new ATOM 0 HG3 GLN A 46 11.323 12.730 3.299 1.00 73.33 H new ATOM 0 HE21 GLN A 46 12.998 14.133 3.200 1.00 54.31 H new ATOM 0 HE22 GLN A 46 13.899 14.715 4.603 1.00 54.31 H new ATOM 754 N GLU A 47 7.006 11.956 4.865 1.00 71.12 N ATOM 755 CA GLU A 47 5.861 11.146 4.461 1.00 5.32 C ATOM 756 C GLU A 47 4.766 12.017 3.851 1.00 24.43 C ATOM 757 O GLU A 47 4.857 13.246 3.861 1.00 52.05 O ATOM 758 CB GLU A 47 5.307 10.374 5.660 1.00 50.12 C ATOM 759 CG GLU A 47 6.356 9.554 6.393 1.00 31.41 C ATOM 760 CD GLU A 47 6.683 8.255 5.682 1.00 23.44 C ATOM 761 OE1 GLU A 47 6.809 8.276 4.439 1.00 34.52 O ATOM 762 OE2 GLU A 47 6.812 7.219 6.367 1.00 4.22 O ATOM 0 H GLU A 47 6.974 12.280 5.832 1.00 71.12 H new ATOM 0 HA GLU A 47 6.198 10.436 3.706 1.00 5.32 H new ATOM 0 HB2 GLU A 47 4.856 11.079 6.358 1.00 50.12 H new ATOM 0 HB3 GLU A 47 4.512 9.710 5.319 1.00 50.12 H new ATOM 0 HG2 GLU A 47 7.266 10.145 6.498 1.00 31.41 H new ATOM 0 HG3 GLU A 47 6.001 9.333 7.400 1.00 31.41 H new ATOM 769 N LEU A 48 3.731 11.373 3.324 1.00 22.01 N ATOM 770 CA LEU A 48 2.617 12.088 2.711 1.00 63.34 C ATOM 771 C LEU A 48 1.290 11.666 3.335 1.00 41.33 C ATOM 772 O LEU A 48 1.198 10.617 3.973 1.00 0.42 O ATOM 773 CB LEU A 48 2.590 11.831 1.203 1.00 11.24 C ATOM 774 CG LEU A 48 1.984 12.942 0.345 1.00 74.24 C ATOM 775 CD1 LEU A 48 2.724 13.056 -0.979 1.00 42.52 C ATOM 776 CD2 LEU A 48 0.503 12.684 0.107 1.00 21.44 C ATOM 0 H LEU A 48 3.640 10.357 3.309 1.00 22.01 H new ATOM 0 HA LEU A 48 2.758 13.154 2.889 1.00 63.34 H new ATOM 0 HB2 LEU A 48 3.612 11.655 0.866 1.00 11.24 H new ATOM 0 HB3 LEU A 48 2.032 10.913 1.021 1.00 11.24 H new ATOM 0 HG LEU A 48 2.088 13.886 0.880 1.00 74.24 H new ATOM 0 HD11 LEU A 48 2.279 13.852 -1.577 1.00 42.52 H new ATOM 0 HD12 LEU A 48 3.773 13.286 -0.791 1.00 42.52 H new ATOM 0 HD13 LEU A 48 2.651 12.112 -1.519 1.00 42.52 H new ATOM 0 HD21 LEU A 48 0.088 13.485 -0.505 1.00 21.44 H new ATOM 0 HD22 LEU A 48 0.378 11.731 -0.408 1.00 21.44 H new ATOM 0 HD23 LEU A 48 -0.019 12.651 1.063 1.00 21.44 H new ATOM 788 N ASP A 49 0.266 12.489 3.144 1.00 12.12 N ATOM 789 CA ASP A 49 -1.058 12.201 3.684 1.00 15.32 C ATOM 790 C ASP A 49 -2.055 11.926 2.563 1.00 54.41 C ATOM 791 O ASP A 49 -2.141 12.684 1.596 1.00 34.32 O ATOM 792 CB ASP A 49 -1.546 13.367 4.542 1.00 30.34 C ATOM 793 CG ASP A 49 -2.786 13.019 5.343 1.00 30.30 C ATOM 794 OD1 ASP A 49 -2.834 13.362 6.543 1.00 11.21 O ATOM 795 OD2 ASP A 49 -3.708 12.402 4.769 1.00 34.35 O ATOM 0 H ASP A 49 0.327 13.361 2.619 1.00 12.12 H new ATOM 0 HA ASP A 49 -0.983 11.309 4.306 1.00 15.32 H new ATOM 0 HB2 ASP A 49 -0.751 13.671 5.223 1.00 30.34 H new ATOM 0 HB3 ASP A 49 -1.760 14.222 3.900 1.00 30.34 H new ATOM 801 N ILE A 50 -2.805 10.837 2.697 1.00 64.32 N ATOM 802 CA ILE A 50 -3.795 10.462 1.696 1.00 1.21 C ATOM 803 C ILE A 50 -5.114 10.062 2.350 1.00 5.11 C ATOM 804 O ILE A 50 -5.148 9.673 3.517 1.00 3.05 O ATOM 805 CB ILE A 50 -3.295 9.298 0.820 1.00 33.01 C ATOM 806 CG1 ILE A 50 -2.407 8.360 1.637 1.00 10.41 C ATOM 807 CG2 ILE A 50 -2.542 9.831 -0.389 1.00 54.41 C ATOM 808 CD1 ILE A 50 -3.135 7.674 2.772 1.00 74.53 C ATOM 0 H ILE A 50 -2.745 10.199 3.490 1.00 64.32 H new ATOM 0 HA ILE A 50 -3.956 11.337 1.067 1.00 1.21 H new ATOM 0 HB ILE A 50 -4.157 8.733 0.466 1.00 33.01 H new ATOM 0 HG12 ILE A 50 -1.987 7.603 0.975 1.00 10.41 H new ATOM 0 HG13 ILE A 50 -1.570 8.928 2.044 1.00 10.41 H new ATOM 0 HG21 ILE A 50 -2.195 8.997 -0.998 1.00 54.41 H new ATOM 0 HG22 ILE A 50 -3.205 10.462 -0.981 1.00 54.41 H new ATOM 0 HG23 ILE A 50 -1.686 10.417 -0.055 1.00 54.41 H new ATOM 0 HD11 ILE A 50 -2.443 7.024 3.308 1.00 74.53 H new ATOM 0 HD12 ILE A 50 -3.532 8.424 3.456 1.00 74.53 H new ATOM 0 HD13 ILE A 50 -3.955 7.079 2.371 1.00 74.53 H new ATOM 820 N LYS A 51 -6.197 10.160 1.588 1.00 12.34 N ATOM 821 CA LYS A 51 -7.520 9.807 2.091 1.00 53.50 C ATOM 822 C LYS A 51 -8.131 8.677 1.267 1.00 52.20 C ATOM 823 O LYS A 51 -7.560 8.248 0.264 1.00 75.32 O ATOM 824 CB LYS A 51 -8.442 11.028 2.063 1.00 12.21 C ATOM 825 CG LYS A 51 -9.291 11.176 3.314 1.00 4.33 C ATOM 826 CD LYS A 51 -10.444 12.143 3.094 1.00 33.00 C ATOM 827 CE LYS A 51 -10.433 13.266 4.119 1.00 71.32 C ATOM 828 NZ LYS A 51 -11.160 14.470 3.631 1.00 1.01 N ATOM 0 H LYS A 51 -6.186 10.481 0.620 1.00 12.34 H new ATOM 0 HA LYS A 51 -7.411 9.466 3.120 1.00 53.50 H new ATOM 0 HB2 LYS A 51 -7.838 11.926 1.935 1.00 12.21 H new ATOM 0 HB3 LYS A 51 -9.098 10.958 1.195 1.00 12.21 H new ATOM 0 HG2 LYS A 51 -9.683 10.202 3.607 1.00 4.33 H new ATOM 0 HG3 LYS A 51 -8.670 11.530 4.137 1.00 4.33 H new ATOM 0 HD2 LYS A 51 -10.381 12.564 2.091 1.00 33.00 H new ATOM 0 HD3 LYS A 51 -11.389 11.603 3.154 1.00 33.00 H new ATOM 0 HE2 LYS A 51 -10.890 12.917 5.045 1.00 71.32 H new ATOM 0 HE3 LYS A 51 -9.403 13.534 4.353 1.00 71.32 H new ATOM 0 HZ1 LYS A 51 -11.130 15.213 4.359 1.00 1.01 H new ATOM 0 HZ2 LYS A 51 -10.709 14.819 2.761 1.00 1.01 H new ATOM 0 HZ3 LYS A 51 -12.150 14.221 3.432 1.00 1.01 H new ATOM 842 N LYS A 52 -9.295 8.201 1.696 1.00 63.21 N ATOM 843 CA LYS A 52 -9.985 7.124 0.996 1.00 34.35 C ATOM 844 C LYS A 52 -10.313 7.527 -0.438 1.00 30.35 C ATOM 845 O LYS A 52 -10.891 8.587 -0.678 1.00 41.21 O ATOM 846 CB LYS A 52 -11.271 6.748 1.738 1.00 24.12 C ATOM 847 CG LYS A 52 -12.190 7.929 1.998 1.00 44.14 C ATOM 848 CD LYS A 52 -13.422 7.513 2.784 1.00 14.34 C ATOM 849 CE LYS A 52 -14.395 6.725 1.920 1.00 45.43 C ATOM 850 NZ LYS A 52 -15.802 7.169 2.121 1.00 44.14 N ATOM 0 H LYS A 52 -9.780 8.544 2.525 1.00 63.21 H new ATOM 0 HA LYS A 52 -9.321 6.260 0.968 1.00 34.35 H new ATOM 0 HB2 LYS A 52 -11.810 6.000 1.157 1.00 24.12 H new ATOM 0 HB3 LYS A 52 -11.010 6.285 2.690 1.00 24.12 H new ATOM 0 HG2 LYS A 52 -11.649 8.698 2.548 1.00 44.14 H new ATOM 0 HG3 LYS A 52 -12.494 8.370 1.049 1.00 44.14 H new ATOM 0 HD2 LYS A 52 -13.122 6.908 3.640 1.00 14.34 H new ATOM 0 HD3 LYS A 52 -13.919 8.399 3.179 1.00 14.34 H new ATOM 0 HE2 LYS A 52 -14.124 6.841 0.871 1.00 45.43 H new ATOM 0 HE3 LYS A 52 -14.312 5.664 2.155 1.00 45.43 H new ATOM 0 HZ1 LYS A 52 -16.433 6.608 1.514 1.00 44.14 H new ATOM 0 HZ2 LYS A 52 -16.069 7.035 3.117 1.00 44.14 H new ATOM 0 HZ3 LYS A 52 -15.887 8.175 1.872 1.00 44.14 H new ATOM 864 N ASN A 53 -9.941 6.675 -1.386 1.00 14.44 N ATOM 865 CA ASN A 53 -10.198 6.942 -2.798 1.00 22.14 C ATOM 866 C ASN A 53 -9.401 8.154 -3.274 1.00 40.12 C ATOM 867 O ASN A 53 -9.841 8.890 -4.157 1.00 50.21 O ATOM 868 CB ASN A 53 -11.691 7.177 -3.030 1.00 53.31 C ATOM 869 CG ASN A 53 -12.073 7.069 -4.495 1.00 65.24 C ATOM 870 OD1 ASN A 53 -11.465 6.308 -5.251 1.00 20.34 O ATOM 871 ND2 ASN A 53 -13.081 7.829 -4.903 1.00 25.34 N ATOM 0 H ASN A 53 -9.461 5.794 -1.204 1.00 14.44 H new ATOM 0 HA ASN A 53 -9.881 6.071 -3.372 1.00 22.14 H new ATOM 0 HB2 ASN A 53 -12.264 6.451 -2.453 1.00 53.31 H new ATOM 0 HB3 ASN A 53 -11.963 8.165 -2.658 1.00 53.31 H new ATOM 0 HD21 ASN A 53 -13.381 7.798 -5.877 1.00 25.34 H new ATOM 0 HD22 ASN A 53 -13.556 8.444 -4.242 1.00 25.34 H new ATOM 878 N GLU A 54 -8.227 8.353 -2.684 1.00 43.23 N ATOM 879 CA GLU A 54 -7.369 9.474 -3.049 1.00 34.32 C ATOM 880 C GLU A 54 -6.385 9.073 -4.144 1.00 60.21 C ATOM 881 O GLU A 54 -5.647 8.099 -4.003 1.00 40.22 O ATOM 882 CB GLU A 54 -6.607 9.982 -1.823 1.00 41.24 C ATOM 883 CG GLU A 54 -5.727 11.187 -2.110 1.00 5.24 C ATOM 884 CD GLU A 54 -6.527 12.460 -2.305 1.00 70.41 C ATOM 885 OE1 GLU A 54 -6.924 12.742 -3.454 1.00 5.01 O ATOM 886 OE2 GLU A 54 -6.757 13.174 -1.306 1.00 4.25 O ATOM 0 H GLU A 54 -7.848 7.753 -1.951 1.00 43.23 H new ATOM 0 HA GLU A 54 -8.003 10.274 -3.431 1.00 34.32 H new ATOM 0 HB2 GLU A 54 -7.323 10.243 -1.043 1.00 41.24 H new ATOM 0 HB3 GLU A 54 -5.988 9.175 -1.431 1.00 41.24 H new ATOM 0 HG2 GLU A 54 -5.027 11.325 -1.286 1.00 5.24 H new ATOM 0 HG3 GLU A 54 -5.134 10.994 -3.004 1.00 5.24 H new ATOM 893 N ARG A 55 -6.382 9.832 -5.235 1.00 52.23 N ATOM 894 CA ARG A 55 -5.491 9.556 -6.356 1.00 62.44 C ATOM 895 C ARG A 55 -4.337 10.554 -6.393 1.00 34.52 C ATOM 896 O ARG A 55 -4.494 11.714 -6.007 1.00 42.43 O ATOM 897 CB ARG A 55 -6.264 9.606 -7.675 1.00 1.20 C ATOM 898 CG ARG A 55 -7.261 10.751 -7.753 1.00 52.15 C ATOM 899 CD ARG A 55 -8.653 10.309 -7.330 1.00 2.22 C ATOM 900 NE ARG A 55 -9.696 10.937 -8.138 1.00 45.12 N ATOM 901 CZ ARG A 55 -9.949 10.605 -9.399 1.00 72.53 C ATOM 902 NH1 ARG A 55 -9.238 9.656 -9.993 1.00 54.03 N ATOM 903 NH2 ARG A 55 -10.913 11.222 -10.067 1.00 53.42 N ATOM 0 H ARG A 55 -6.987 10.643 -5.367 1.00 52.23 H new ATOM 0 HA ARG A 55 -5.080 8.556 -6.221 1.00 62.44 H new ATOM 0 HB2 ARG A 55 -5.556 9.695 -8.499 1.00 1.20 H new ATOM 0 HB3 ARG A 55 -6.794 8.664 -7.812 1.00 1.20 H new ATOM 0 HG2 ARG A 55 -6.928 11.569 -7.114 1.00 52.15 H new ATOM 0 HG3 ARG A 55 -7.295 11.136 -8.772 1.00 52.15 H new ATOM 0 HD2 ARG A 55 -8.731 9.225 -7.416 1.00 2.22 H new ATOM 0 HD3 ARG A 55 -8.809 10.557 -6.280 1.00 2.22 H new ATOM 0 HE ARG A 55 -10.261 11.671 -7.710 1.00 45.12 H new ATOM 0 HH11 ARG A 55 -8.495 9.180 -9.481 1.00 54.03 H new ATOM 0 HH12 ARG A 55 -9.434 9.403 -10.961 1.00 54.03 H new ATOM 0 HH21 ARG A 55 -11.461 11.952 -9.613 1.00 53.42 H new ATOM 0 HH22 ARG A 55 -11.107 10.966 -11.035 1.00 53.42 H new ATOM 917 N LEU A 56 -3.180 10.096 -6.856 1.00 51.15 N ATOM 918 CA LEU A 56 -1.999 10.948 -6.942 1.00 51.20 C ATOM 919 C LEU A 56 -1.118 10.539 -8.117 1.00 43.25 C ATOM 920 O LEU A 56 -1.419 9.579 -8.827 1.00 43.21 O ATOM 921 CB LEU A 56 -1.198 10.877 -5.640 1.00 15.32 C ATOM 922 CG LEU A 56 -1.478 11.980 -4.619 1.00 30.32 C ATOM 923 CD1 LEU A 56 -2.610 11.572 -3.689 1.00 2.03 C ATOM 924 CD2 LEU A 56 -0.221 12.300 -3.823 1.00 1.45 C ATOM 0 H LEU A 56 -3.034 9.139 -7.178 1.00 51.15 H new ATOM 0 HA LEU A 56 -2.332 11.974 -7.101 1.00 51.20 H new ATOM 0 HB2 LEU A 56 -1.394 9.914 -5.168 1.00 15.32 H new ATOM 0 HB3 LEU A 56 -0.137 10.900 -5.888 1.00 15.32 H new ATOM 0 HG LEU A 56 -1.783 12.878 -5.157 1.00 30.32 H new ATOM 0 HD11 LEU A 56 -2.795 12.369 -2.969 1.00 2.03 H new ATOM 0 HD12 LEU A 56 -3.513 11.393 -4.272 1.00 2.03 H new ATOM 0 HD13 LEU A 56 -2.334 10.661 -3.158 1.00 2.03 H new ATOM 0 HD21 LEU A 56 -0.438 13.087 -3.101 1.00 1.45 H new ATOM 0 HD22 LEU A 56 0.113 11.406 -3.296 1.00 1.45 H new ATOM 0 HD23 LEU A 56 0.563 12.636 -4.501 1.00 1.45 H new ATOM 936 N TRP A 57 -0.029 11.272 -8.316 1.00 24.03 N ATOM 937 CA TRP A 57 0.898 10.986 -9.405 1.00 52.05 C ATOM 938 C TRP A 57 2.044 10.101 -8.926 1.00 32.21 C ATOM 939 O TRP A 57 2.884 10.531 -8.135 1.00 50.41 O ATOM 940 CB TRP A 57 1.452 12.287 -9.988 1.00 55.21 C ATOM 941 CG TRP A 57 0.512 12.958 -10.944 1.00 32.52 C ATOM 942 CD1 TRP A 57 0.673 13.092 -12.293 1.00 24.22 C ATOM 943 CD2 TRP A 57 -0.734 13.585 -10.621 1.00 12.25 C ATOM 944 NE1 TRP A 57 -0.397 13.767 -12.828 1.00 13.14 N ATOM 945 CE2 TRP A 57 -1.274 14.079 -11.823 1.00 54.20 C ATOM 946 CE3 TRP A 57 -1.446 13.776 -9.434 1.00 51.11 C ATOM 947 CZ2 TRP A 57 -2.493 14.752 -11.870 1.00 60.41 C ATOM 948 CZ3 TRP A 57 -2.655 14.444 -9.482 1.00 45.10 C ATOM 949 CH2 TRP A 57 -3.168 14.925 -10.694 1.00 51.03 C ATOM 0 H TRP A 57 0.234 12.070 -7.737 1.00 24.03 H new ATOM 0 HA TRP A 57 0.351 10.452 -10.182 1.00 52.05 H new ATOM 0 HB2 TRP A 57 1.681 12.973 -9.173 1.00 55.21 H new ATOM 0 HB3 TRP A 57 2.391 12.076 -10.500 1.00 55.21 H new ATOM 0 HD1 TRP A 57 1.517 12.722 -12.856 1.00 24.22 H new ATOM 0 HE1 TRP A 57 -0.519 13.998 -13.814 1.00 13.14 H new ATOM 0 HE3 TRP A 57 -1.058 13.408 -8.495 1.00 51.11 H new ATOM 0 HZ2 TRP A 57 -2.891 15.124 -12.803 1.00 60.41 H new ATOM 0 HZ3 TRP A 57 -3.213 14.598 -8.570 1.00 45.10 H new ATOM 0 HH2 TRP A 57 -4.116 15.443 -10.699 1.00 51.03 H new ATOM 960 N LEU A 58 2.072 8.863 -9.409 1.00 23.53 N ATOM 961 CA LEU A 58 3.116 7.917 -9.030 1.00 31.32 C ATOM 962 C LEU A 58 4.475 8.363 -9.560 1.00 12.54 C ATOM 963 O LEU A 58 4.633 8.615 -10.755 1.00 24.41 O ATOM 964 CB LEU A 58 2.783 6.521 -9.558 1.00 22.32 C ATOM 965 CG LEU A 58 2.663 5.416 -8.506 1.00 65.31 C ATOM 966 CD1 LEU A 58 2.524 4.057 -9.174 1.00 13.44 C ATOM 967 CD2 LEU A 58 3.868 5.434 -7.576 1.00 13.12 C ATOM 0 H LEU A 58 1.384 8.491 -10.064 1.00 23.53 H new ATOM 0 HA LEU A 58 3.164 7.885 -7.942 1.00 31.32 H new ATOM 0 HB2 LEU A 58 1.843 6.577 -10.106 1.00 22.32 H new ATOM 0 HB3 LEU A 58 3.553 6.232 -10.274 1.00 22.32 H new ATOM 0 HG LEU A 58 1.767 5.600 -7.913 1.00 65.31 H new ATOM 0 HD11 LEU A 58 2.440 3.283 -8.411 1.00 13.44 H new ATOM 0 HD12 LEU A 58 1.631 4.049 -9.799 1.00 13.44 H new ATOM 0 HD13 LEU A 58 3.401 3.864 -9.791 1.00 13.44 H new ATOM 0 HD21 LEU A 58 3.767 4.642 -6.834 1.00 13.12 H new ATOM 0 HD22 LEU A 58 4.777 5.274 -8.155 1.00 13.12 H new ATOM 0 HD23 LEU A 58 3.924 6.399 -7.072 1.00 13.12 H new ATOM 979 N LEU A 59 5.451 8.457 -8.665 1.00 2.42 N ATOM 980 CA LEU A 59 6.799 8.871 -9.043 1.00 75.12 C ATOM 981 C LEU A 59 7.730 7.666 -9.143 1.00 32.04 C ATOM 982 O LEU A 59 8.132 7.268 -10.236 1.00 55.53 O ATOM 983 CB LEU A 59 7.349 9.873 -8.030 1.00 23.25 C ATOM 984 CG LEU A 59 6.523 11.144 -7.825 1.00 51.22 C ATOM 985 CD1 LEU A 59 7.261 12.122 -6.923 1.00 72.13 C ATOM 986 CD2 LEU A 59 6.200 11.792 -9.164 1.00 64.31 C ATOM 0 H LEU A 59 5.335 8.252 -7.672 1.00 2.42 H new ATOM 0 HA LEU A 59 6.745 9.348 -10.022 1.00 75.12 H new ATOM 0 HB2 LEU A 59 7.448 9.369 -7.068 1.00 23.25 H new ATOM 0 HB3 LEU A 59 8.352 10.162 -8.343 1.00 23.25 H new ATOM 0 HG LEU A 59 5.586 10.870 -7.340 1.00 51.22 H new ATOM 0 HD11 LEU A 59 6.658 13.020 -6.789 1.00 72.13 H new ATOM 0 HD12 LEU A 59 7.441 11.658 -5.953 1.00 72.13 H new ATOM 0 HD13 LEU A 59 8.214 12.390 -7.380 1.00 72.13 H new ATOM 0 HD21 LEU A 59 5.612 12.695 -8.999 1.00 64.31 H new ATOM 0 HD22 LEU A 59 7.127 12.051 -9.676 1.00 64.31 H new ATOM 0 HD23 LEU A 59 5.630 11.095 -9.778 1.00 64.31 H new ATOM 998 N ASP A 60 8.067 7.091 -7.994 1.00 41.02 N ATOM 999 CA ASP A 60 8.949 5.929 -7.952 1.00 61.11 C ATOM 1000 C ASP A 60 8.415 4.877 -6.986 1.00 73.43 C ATOM 1001 O ASP A 60 8.384 5.091 -5.773 1.00 55.20 O ATOM 1002 CB ASP A 60 10.360 6.349 -7.538 1.00 25.30 C ATOM 1003 CG ASP A 60 11.430 5.473 -8.158 1.00 50.54 C ATOM 1004 OD1 ASP A 60 12.291 4.966 -7.410 1.00 4.24 O ATOM 1005 OD2 ASP A 60 11.407 5.293 -9.394 1.00 12.25 O ATOM 0 H ASP A 60 7.744 7.409 -7.080 1.00 41.02 H new ATOM 0 HA ASP A 60 8.985 5.494 -8.951 1.00 61.11 H new ATOM 0 HB2 ASP A 60 10.528 7.385 -7.831 1.00 25.30 H new ATOM 0 HB3 ASP A 60 10.444 6.307 -6.452 1.00 25.30 H new ATOM 1011 N ASP A 61 7.994 3.741 -7.532 1.00 72.31 N ATOM 1012 CA ASP A 61 7.460 2.654 -6.719 1.00 3.23 C ATOM 1013 C ASP A 61 8.280 1.382 -6.908 1.00 73.43 C ATOM 1014 O ASP A 61 7.884 0.482 -7.651 1.00 63.21 O ATOM 1015 CB ASP A 61 5.996 2.392 -7.077 1.00 2.02 C ATOM 1016 CG ASP A 61 5.719 2.580 -8.555 1.00 63.12 C ATOM 1017 OD1 ASP A 61 5.703 3.741 -9.013 1.00 12.34 O ATOM 1018 OD2 ASP A 61 5.522 1.564 -9.254 1.00 32.12 O ATOM 0 H ASP A 61 8.012 3.549 -8.534 1.00 72.31 H new ATOM 0 HA ASP A 61 7.521 2.951 -5.672 1.00 3.23 H new ATOM 0 HB2 ASP A 61 5.730 1.375 -6.787 1.00 2.02 H new ATOM 0 HB3 ASP A 61 5.359 3.064 -6.502 1.00 2.02 H new ATOM 1024 N SER A 62 9.421 1.312 -6.234 1.00 22.35 N ATOM 1025 CA SER A 62 10.299 0.151 -6.331 1.00 74.21 C ATOM 1026 C SER A 62 10.304 -0.638 -5.025 1.00 72.24 C ATOM 1027 O SER A 62 10.125 -1.856 -5.020 1.00 2.10 O ATOM 1028 CB SER A 62 11.722 0.589 -6.681 1.00 52.32 C ATOM 1029 OG SER A 62 12.062 0.205 -8.003 1.00 45.30 O ATOM 0 H SER A 62 9.761 2.046 -5.613 1.00 22.35 H new ATOM 0 HA SER A 62 9.920 -0.495 -7.123 1.00 74.21 H new ATOM 0 HB2 SER A 62 11.809 1.671 -6.579 1.00 52.32 H new ATOM 0 HB3 SER A 62 12.426 0.145 -5.977 1.00 52.32 H new ATOM 0 HG SER A 62 12.975 0.498 -8.204 1.00 45.30 H new ATOM 1035 N LYS A 63 10.509 0.066 -3.917 1.00 73.21 N ATOM 1036 CA LYS A 63 10.537 -0.565 -2.603 1.00 65.03 C ATOM 1037 C LYS A 63 9.134 -0.653 -2.012 1.00 22.34 C ATOM 1038 O LYS A 63 8.167 -0.176 -2.607 1.00 73.45 O ATOM 1039 CB LYS A 63 11.453 0.216 -1.658 1.00 3.11 C ATOM 1040 CG LYS A 63 12.792 -0.460 -1.411 1.00 14.32 C ATOM 1041 CD LYS A 63 13.538 0.188 -0.258 1.00 62.10 C ATOM 1042 CE LYS A 63 14.800 -0.587 0.094 1.00 11.53 C ATOM 1043 NZ LYS A 63 15.836 0.291 0.707 1.00 4.31 N ATOM 0 H LYS A 63 10.658 1.075 -3.903 1.00 73.21 H new ATOM 0 HA LYS A 63 10.926 -1.576 -2.722 1.00 65.03 H new ATOM 0 HB2 LYS A 63 11.628 1.209 -2.073 1.00 3.11 H new ATOM 0 HB3 LYS A 63 10.944 0.354 -0.704 1.00 3.11 H new ATOM 0 HG2 LYS A 63 12.633 -1.516 -1.195 1.00 14.32 H new ATOM 0 HG3 LYS A 63 13.400 -0.407 -2.314 1.00 14.32 H new ATOM 0 HD2 LYS A 63 13.800 1.212 -0.523 1.00 62.10 H new ATOM 0 HD3 LYS A 63 12.887 0.241 0.614 1.00 62.10 H new ATOM 0 HE2 LYS A 63 14.551 -1.392 0.785 1.00 11.53 H new ATOM 0 HE3 LYS A 63 15.204 -1.052 -0.805 1.00 11.53 H new ATOM 0 HZ1 LYS A 63 16.680 -0.273 0.933 1.00 4.31 H new ATOM 0 HZ2 LYS A 63 16.092 1.045 0.038 1.00 4.31 H new ATOM 0 HZ3 LYS A 63 15.460 0.715 1.579 1.00 4.31 H new ATOM 1057 N THR A 64 9.030 -1.263 -0.834 1.00 12.51 N ATOM 1058 CA THR A 64 7.746 -1.412 -0.162 1.00 12.54 C ATOM 1059 C THR A 64 6.973 -0.097 -0.154 1.00 4.51 C ATOM 1060 O THR A 64 5.754 -0.081 -0.326 1.00 60.50 O ATOM 1061 CB THR A 64 7.923 -1.896 1.289 1.00 73.14 C ATOM 1062 OG1 THR A 64 6.740 -1.621 2.046 1.00 22.42 O ATOM 1063 CG2 THR A 64 9.120 -1.221 1.942 1.00 73.31 C ATOM 0 H THR A 64 9.820 -1.661 -0.327 1.00 12.51 H new ATOM 0 HA THR A 64 7.183 -2.159 -0.721 1.00 12.54 H new ATOM 0 HB THR A 64 8.098 -2.972 1.271 1.00 73.14 H new ATOM 0 HG1 THR A 64 5.956 -1.949 1.558 1.00 22.42 H new ATOM 0 HG21 THR A 64 9.225 -1.578 2.966 1.00 73.31 H new ATOM 0 HG22 THR A 64 10.023 -1.459 1.380 1.00 73.31 H new ATOM 0 HG23 THR A 64 8.970 -0.141 1.948 1.00 73.31 H new ATOM 1071 N TRP A 65 7.690 1.004 0.042 1.00 22.21 N ATOM 1072 CA TRP A 65 7.071 2.324 0.071 1.00 1.43 C ATOM 1073 C TRP A 65 7.157 2.995 -1.294 1.00 53.50 C ATOM 1074 O TRP A 65 8.189 2.933 -1.963 1.00 13.15 O ATOM 1075 CB TRP A 65 7.743 3.202 1.128 1.00 23.11 C ATOM 1076 CG TRP A 65 7.232 2.959 2.516 1.00 53.05 C ATOM 1077 CD1 TRP A 65 7.373 1.817 3.252 1.00 43.24 C ATOM 1078 CD2 TRP A 65 6.497 3.876 3.332 1.00 25.21 C ATOM 1079 NE1 TRP A 65 6.770 1.969 4.477 1.00 0.21 N ATOM 1080 CE2 TRP A 65 6.227 3.224 4.551 1.00 12.10 C ATOM 1081 CE3 TRP A 65 6.043 5.186 3.153 1.00 31.42 C ATOM 1082 CZ2 TRP A 65 5.520 3.839 5.583 1.00 43.25 C ATOM 1083 CZ3 TRP A 65 5.344 5.794 4.178 1.00 55.03 C ATOM 1084 CH2 TRP A 65 5.088 5.122 5.380 1.00 3.31 C ATOM 0 H TRP A 65 8.700 1.009 0.183 1.00 22.21 H new ATOM 0 HA TRP A 65 6.019 2.199 0.328 1.00 1.43 H new ATOM 0 HB2 TRP A 65 8.818 3.023 1.108 1.00 23.11 H new ATOM 0 HB3 TRP A 65 7.589 4.250 0.870 1.00 23.11 H new ATOM 0 HD1 TRP A 65 7.884 0.925 2.920 1.00 43.24 H new ATOM 0 HE1 TRP A 65 6.733 1.262 5.212 1.00 0.21 H new ATOM 0 HE3 TRP A 65 6.235 5.713 2.230 1.00 31.42 H new ATOM 0 HZ2 TRP A 65 5.320 3.322 6.510 1.00 43.25 H new ATOM 0 HZ3 TRP A 65 4.989 6.806 4.050 1.00 55.03 H new ATOM 0 HH2 TRP A 65 4.539 5.626 6.162 1.00 3.31 H new ATOM 1095 N TRP A 66 6.068 3.636 -1.703 1.00 50.24 N ATOM 1096 CA TRP A 66 6.021 4.319 -2.991 1.00 52.34 C ATOM 1097 C TRP A 66 5.953 5.831 -2.804 1.00 15.20 C ATOM 1098 O TRP A 66 5.470 6.318 -1.781 1.00 72.24 O ATOM 1099 CB TRP A 66 4.818 3.839 -3.805 1.00 21.10 C ATOM 1100 CG TRP A 66 4.845 2.368 -4.092 1.00 33.43 C ATOM 1101 CD1 TRP A 66 5.881 1.508 -3.867 1.00 34.31 C ATOM 1102 CD2 TRP A 66 3.787 1.587 -4.660 1.00 12.20 C ATOM 1103 NE1 TRP A 66 5.531 0.239 -4.261 1.00 71.11 N ATOM 1104 CE2 TRP A 66 4.252 0.261 -4.750 1.00 65.03 C ATOM 1105 CE3 TRP A 66 2.493 1.878 -5.099 1.00 41.23 C ATOM 1106 CZ2 TRP A 66 3.467 -0.770 -5.262 1.00 60.01 C ATOM 1107 CZ3 TRP A 66 1.717 0.854 -5.608 1.00 23.13 C ATOM 1108 CH2 TRP A 66 2.206 -0.457 -5.686 1.00 12.14 C ATOM 0 H TRP A 66 5.206 3.697 -1.162 1.00 50.24 H new ATOM 0 HA TRP A 66 6.936 4.079 -3.533 1.00 52.34 H new ATOM 0 HB2 TRP A 66 3.903 4.080 -3.264 1.00 21.10 H new ATOM 0 HB3 TRP A 66 4.784 4.385 -4.748 1.00 21.10 H new ATOM 0 HD1 TRP A 66 6.835 1.784 -3.442 1.00 34.31 H new ATOM 0 HE1 TRP A 66 6.127 -0.586 -4.199 1.00 71.11 H new ATOM 0 HE3 TRP A 66 2.106 2.885 -5.042 1.00 41.23 H new ATOM 0 HZ2 TRP A 66 3.842 -1.781 -5.322 1.00 60.01 H new ATOM 0 HZ3 TRP A 66 0.716 1.068 -5.952 1.00 23.13 H new ATOM 0 HH2 TRP A 66 1.574 -1.235 -6.089 1.00 12.14 H new ATOM 1119 N ARG A 67 6.439 6.568 -3.797 1.00 13.25 N ATOM 1120 CA ARG A 67 6.433 8.026 -3.740 1.00 63.30 C ATOM 1121 C ARG A 67 5.523 8.608 -4.816 1.00 12.10 C ATOM 1122 O ARG A 67 5.693 8.334 -6.004 1.00 32.44 O ATOM 1123 CB ARG A 67 7.852 8.569 -3.908 1.00 4.30 C ATOM 1124 CG ARG A 67 7.903 10.062 -4.194 1.00 61.31 C ATOM 1125 CD ARG A 67 9.199 10.681 -3.695 1.00 44.35 C ATOM 1126 NE ARG A 67 10.375 9.978 -4.206 1.00 35.32 N ATOM 1127 CZ ARG A 67 11.604 10.174 -3.746 1.00 63.34 C ATOM 1128 NH1 ARG A 67 11.821 11.047 -2.771 1.00 0.00 N ATOM 1129 NH2 ARG A 67 12.623 9.496 -4.262 1.00 13.12 N ATOM 0 H ARG A 67 6.842 6.181 -4.650 1.00 13.25 H new ATOM 0 HA ARG A 67 6.050 8.325 -2.764 1.00 63.30 H new ATOM 0 HB2 ARG A 67 8.421 8.362 -3.002 1.00 4.30 H new ATOM 0 HB3 ARG A 67 8.342 8.035 -4.722 1.00 4.30 H new ATOM 0 HG2 ARG A 67 7.807 10.232 -5.266 1.00 61.31 H new ATOM 0 HG3 ARG A 67 7.056 10.554 -3.716 1.00 61.31 H new ATOM 0 HD2 ARG A 67 9.242 11.727 -3.999 1.00 44.35 H new ATOM 0 HD3 ARG A 67 9.212 10.665 -2.605 1.00 44.35 H new ATOM 0 HE ARG A 67 10.243 9.300 -4.957 1.00 35.32 H new ATOM 0 HH11 ARG A 67 11.042 11.570 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.767 11.195 -2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.461 8.824 -5.012 1.00 13.12 H new ATOM 0 HH22 ARG A 67 13.568 9.647 -3.908 1.00 13.12 H new ATOM 1143 N VAL A 68 4.554 9.414 -4.392 1.00 34.15 N ATOM 1144 CA VAL A 68 3.616 10.036 -5.319 1.00 61.12 C ATOM 1145 C VAL A 68 3.523 11.538 -5.080 1.00 12.13 C ATOM 1146 O VAL A 68 4.057 12.056 -4.098 1.00 54.40 O ATOM 1147 CB VAL A 68 2.211 9.419 -5.194 1.00 14.03 C ATOM 1148 CG1 VAL A 68 2.247 7.934 -5.525 1.00 4.24 C ATOM 1149 CG2 VAL A 68 1.650 9.649 -3.798 1.00 32.41 C ATOM 0 H VAL A 68 4.398 9.651 -3.412 1.00 34.15 H new ATOM 0 HA VAL A 68 3.996 9.854 -6.324 1.00 61.12 H new ATOM 0 HB VAL A 68 1.553 9.910 -5.911 1.00 14.03 H new ATOM 0 HG11 VAL A 68 1.245 7.516 -5.431 1.00 4.24 H new ATOM 0 HG12 VAL A 68 2.603 7.797 -6.546 1.00 4.24 H new ATOM 0 HG13 VAL A 68 2.919 7.424 -4.835 1.00 4.24 H new ATOM 0 HG21 VAL A 68 0.656 9.206 -3.728 1.00 32.41 H new ATOM 0 HG22 VAL A 68 2.307 9.186 -3.061 1.00 32.41 H new ATOM 0 HG23 VAL A 68 1.585 10.720 -3.604 1.00 32.41 H new ATOM 1159 N ARG A 69 2.839 12.234 -5.983 1.00 63.10 N ATOM 1160 CA ARG A 69 2.677 13.679 -5.871 1.00 34.11 C ATOM 1161 C ARG A 69 1.202 14.066 -5.931 1.00 34.20 C ATOM 1162 O ARG A 69 0.418 13.449 -6.651 1.00 75.25 O ATOM 1163 CB ARG A 69 3.447 14.389 -6.986 1.00 20.33 C ATOM 1164 CG ARG A 69 3.477 15.902 -6.837 1.00 63.12 C ATOM 1165 CD ARG A 69 3.793 16.584 -8.158 1.00 0.31 C ATOM 1166 NE ARG A 69 5.099 17.238 -8.139 1.00 22.41 N ATOM 1167 CZ ARG A 69 6.244 16.597 -8.337 1.00 42.00 C ATOM 1168 NH1 ARG A 69 6.246 15.292 -8.570 1.00 71.43 N ATOM 1169 NH2 ARG A 69 7.393 17.261 -8.303 1.00 14.12 N ATOM 0 H ARG A 69 2.389 11.821 -6.800 1.00 63.10 H new ATOM 0 HA ARG A 69 3.079 13.991 -4.907 1.00 34.11 H new ATOM 0 HB2 ARG A 69 4.470 14.014 -7.005 1.00 20.33 H new ATOM 0 HB3 ARG A 69 2.996 14.136 -7.946 1.00 20.33 H new ATOM 0 HG2 ARG A 69 2.513 16.252 -6.467 1.00 63.12 H new ATOM 0 HG3 ARG A 69 4.224 16.181 -6.094 1.00 63.12 H new ATOM 0 HD2 ARG A 69 3.768 15.847 -8.961 1.00 0.31 H new ATOM 0 HD3 ARG A 69 3.022 17.322 -8.378 1.00 0.31 H new ATOM 0 HE ARG A 69 5.133 18.242 -7.964 1.00 22.41 H new ATOM 0 HH11 ARG A 69 5.366 14.778 -8.598 1.00 71.43 H new ATOM 0 HH12 ARG A 69 7.128 14.802 -8.722 1.00 71.43 H new ATOM 0 HH21 ARG A 69 7.397 18.265 -8.124 1.00 14.12 H new ATOM 0 HH22 ARG A 69 8.272 16.767 -8.455 1.00 14.12 H new ATOM 1183 N ASN A 70 0.831 15.090 -5.170 1.00 32.22 N ATOM 1184 CA ASN A 70 -0.549 15.559 -5.136 1.00 74.22 C ATOM 1185 C ASN A 70 -0.742 16.751 -6.070 1.00 34.23 C ATOM 1186 O ASN A 70 0.189 17.172 -6.755 1.00 53.43 O ATOM 1187 CB ASN A 70 -0.944 15.944 -3.710 1.00 23.51 C ATOM 1188 CG ASN A 70 0.198 16.585 -2.945 1.00 44.42 C ATOM 1189 OD1 ASN A 70 1.227 15.955 -2.702 1.00 1.44 O ATOM 1190 ND2 ASN A 70 0.021 17.846 -2.566 1.00 63.42 N ATOM 0 H ASN A 70 1.468 15.612 -4.568 1.00 32.22 H new ATOM 0 HA ASN A 70 -1.191 14.746 -5.476 1.00 74.22 H new ATOM 0 HB2 ASN A 70 -1.787 16.634 -3.744 1.00 23.51 H new ATOM 0 HB3 ASN A 70 -1.281 15.055 -3.177 1.00 23.51 H new ATOM 0 HD21 ASN A 70 0.755 18.332 -2.051 1.00 63.42 H new ATOM 0 HD22 ASN A 70 -0.849 18.328 -2.790 1.00 63.42 H new ATOM 1197 N ALA A 71 -1.957 17.290 -6.087 1.00 3.23 N ATOM 1198 CA ALA A 71 -2.271 18.436 -6.933 1.00 73.30 C ATOM 1199 C ALA A 71 -1.543 19.687 -6.455 1.00 31.11 C ATOM 1200 O ALA A 71 -1.475 20.687 -7.168 1.00 0.52 O ATOM 1201 CB ALA A 71 -3.773 18.674 -6.960 1.00 44.31 C ATOM 0 H ALA A 71 -2.739 16.952 -5.526 1.00 3.23 H new ATOM 0 HA ALA A 71 -1.931 18.215 -7.945 1.00 73.30 H new ATOM 0 HB1 ALA A 71 -3.994 19.532 -7.595 1.00 44.31 H new ATOM 0 HB2 ALA A 71 -4.274 17.791 -7.356 1.00 44.31 H new ATOM 0 HB3 ALA A 71 -4.129 18.870 -5.948 1.00 44.31 H new ATOM 1207 N ALA A 72 -1.001 19.624 -5.243 1.00 31.12 N ATOM 1208 CA ALA A 72 -0.277 20.752 -4.671 1.00 4.12 C ATOM 1209 C ALA A 72 1.186 20.741 -5.102 1.00 44.52 C ATOM 1210 O ALA A 72 2.000 21.506 -4.586 1.00 42.24 O ATOM 1211 CB ALA A 72 -0.382 20.732 -3.153 1.00 13.12 C ATOM 0 H ALA A 72 -1.050 18.804 -4.639 1.00 31.12 H new ATOM 0 HA ALA A 72 -0.732 21.670 -5.044 1.00 4.12 H new ATOM 0 HB1 ALA A 72 0.163 21.580 -2.739 1.00 13.12 H new ATOM 0 HB2 ALA A 72 -1.430 20.797 -2.860 1.00 13.12 H new ATOM 0 HB3 ALA A 72 0.045 19.805 -2.771 1.00 13.12 H new ATOM 1217 N ASN A 73 1.512 19.869 -6.050 1.00 12.24 N ATOM 1218 CA ASN A 73 2.878 19.759 -6.549 1.00 60.41 C ATOM 1219 C ASN A 73 3.818 19.263 -5.456 1.00 42.02 C ATOM 1220 O ASN A 73 5.040 19.347 -5.587 1.00 33.34 O ATOM 1221 CB ASN A 73 3.361 21.111 -7.079 1.00 2.01 C ATOM 1222 CG ASN A 73 2.237 21.929 -7.685 1.00 10.12 C ATOM 1223 OD1 ASN A 73 1.632 21.532 -8.681 1.00 31.33 O ATOM 1224 ND2 ASN A 73 1.953 23.080 -7.085 1.00 40.45 N ATOM 0 H ASN A 73 0.850 19.229 -6.488 1.00 12.24 H new ATOM 0 HA ASN A 73 2.883 19.035 -7.364 1.00 60.41 H new ATOM 0 HB2 ASN A 73 3.819 21.674 -6.266 1.00 2.01 H new ATOM 0 HB3 ASN A 73 4.134 20.949 -7.830 1.00 2.01 H new ATOM 0 HD21 ASN A 73 1.207 23.674 -7.448 1.00 40.45 H new ATOM 0 HD22 ASN A 73 2.481 23.370 -6.262 1.00 40.45 H new ATOM 1231 N ARG A 74 3.241 18.745 -4.378 1.00 21.53 N ATOM 1232 CA ARG A 74 4.027 18.236 -3.260 1.00 23.41 C ATOM 1233 C ARG A 74 4.331 16.752 -3.441 1.00 73.30 C ATOM 1234 O ARG A 74 3.501 15.993 -3.943 1.00 53.13 O ATOM 1235 CB ARG A 74 3.284 18.457 -1.941 1.00 11.42 C ATOM 1236 CG ARG A 74 4.190 18.455 -0.722 1.00 21.30 C ATOM 1237 CD ARG A 74 4.236 19.821 -0.057 1.00 32.43 C ATOM 1238 NE ARG A 74 5.098 20.753 -0.779 1.00 20.51 N ATOM 1239 CZ ARG A 74 6.425 20.731 -0.709 1.00 72.42 C ATOM 1240 NH1 ARG A 74 7.037 19.828 0.047 1.00 34.05 N ATOM 1241 NH2 ARG A 74 7.141 21.612 -1.395 1.00 22.52 N ATOM 0 H ARG A 74 2.232 18.666 -4.254 1.00 21.53 H new ATOM 0 HA ARG A 74 4.969 18.783 -3.234 1.00 23.41 H new ATOM 0 HB2 ARG A 74 2.754 19.409 -1.988 1.00 11.42 H new ATOM 0 HB3 ARG A 74 2.530 17.678 -1.824 1.00 11.42 H new ATOM 0 HG2 ARG A 74 3.836 17.713 -0.006 1.00 21.30 H new ATOM 0 HG3 ARG A 74 5.197 18.159 -1.017 1.00 21.30 H new ATOM 0 HD2 ARG A 74 3.227 20.230 0.000 1.00 32.43 H new ATOM 0 HD3 ARG A 74 4.595 19.714 0.967 1.00 32.43 H new ATOM 0 HE ARG A 74 4.658 21.459 -1.369 1.00 20.51 H new ATOM 0 HH11 ARG A 74 6.489 19.149 0.576 1.00 34.05 H new ATOM 0 HH12 ARG A 74 8.056 19.813 0.099 1.00 34.05 H new ATOM 0 HH21 ARG A 74 6.673 22.307 -1.977 1.00 22.52 H new ATOM 0 HH22 ARG A 74 8.159 21.594 -1.341 1.00 22.52 H new ATOM 1255 N THR A 75 5.527 16.342 -3.028 1.00 55.41 N ATOM 1256 CA THR A 75 5.941 14.950 -3.145 1.00 53.21 C ATOM 1257 C THR A 75 6.284 14.360 -1.782 1.00 33.34 C ATOM 1258 O THR A 75 7.035 14.954 -1.010 1.00 44.30 O ATOM 1259 CB THR A 75 7.159 14.804 -4.077 1.00 70.42 C ATOM 1260 OG1 THR A 75 8.146 15.788 -3.749 1.00 45.43 O ATOM 1261 CG2 THR A 75 6.749 14.954 -5.534 1.00 4.31 C ATOM 0 H THR A 75 6.226 16.956 -2.609 1.00 55.41 H new ATOM 0 HA THR A 75 5.099 14.405 -3.571 1.00 53.21 H new ATOM 0 HB THR A 75 7.578 13.808 -3.937 1.00 70.42 H new ATOM 0 HG1 THR A 75 8.293 15.794 -2.780 1.00 45.43 H new ATOM 0 HG21 THR A 75 7.626 14.847 -6.172 1.00 4.31 H new ATOM 0 HG22 THR A 75 6.020 14.185 -5.788 1.00 4.31 H new ATOM 0 HG23 THR A 75 6.306 15.938 -5.688 1.00 4.31 H new ATOM 1269 N GLY A 76 5.726 13.189 -1.491 1.00 43.54 N ATOM 1270 CA GLY A 76 5.986 12.539 -0.221 1.00 71.40 C ATOM 1271 C GLY A 76 6.063 11.031 -0.346 1.00 0.24 C ATOM 1272 O GLY A 76 6.100 10.493 -1.453 1.00 14.44 O ATOM 0 H GLY A 76 5.098 12.679 -2.113 1.00 43.54 H new ATOM 0 HA2 GLY A 76 6.923 12.915 0.191 1.00 71.40 H new ATOM 0 HA3 GLY A 76 5.199 12.802 0.486 1.00 71.40 H new ATOM 1276 N TYR A 77 6.089 10.345 0.792 1.00 73.14 N ATOM 1277 CA TYR A 77 6.166 8.889 0.805 1.00 71.00 C ATOM 1278 C TYR A 77 4.900 8.281 1.403 1.00 23.12 C ATOM 1279 O TYR A 77 4.218 8.911 2.212 1.00 52.44 O ATOM 1280 CB TYR A 77 7.390 8.429 1.597 1.00 44.05 C ATOM 1281 CG TYR A 77 8.664 8.402 0.784 1.00 44.42 C ATOM 1282 CD1 TYR A 77 8.989 7.302 0.000 1.00 15.45 C ATOM 1283 CD2 TYR A 77 9.544 9.478 0.798 1.00 34.45 C ATOM 1284 CE1 TYR A 77 10.150 7.274 -0.744 1.00 43.25 C ATOM 1285 CE2 TYR A 77 10.708 9.459 0.055 1.00 30.34 C ATOM 1286 CZ TYR A 77 11.007 8.354 -0.714 1.00 24.40 C ATOM 1287 OH TYR A 77 12.166 8.330 -1.456 1.00 64.43 O ATOM 0 H TYR A 77 6.058 10.774 1.717 1.00 73.14 H new ATOM 0 HA TYR A 77 6.259 8.547 -0.226 1.00 71.00 H new ATOM 0 HB2 TYR A 77 7.529 9.091 2.452 1.00 44.05 H new ATOM 0 HB3 TYR A 77 7.201 7.431 1.994 1.00 44.05 H new ATOM 0 HD1 TYR A 77 8.321 6.454 -0.027 1.00 15.45 H new ATOM 0 HD2 TYR A 77 9.313 10.344 1.401 1.00 34.45 H new ATOM 0 HE1 TYR A 77 10.387 6.410 -1.347 1.00 43.25 H new ATOM 0 HE2 TYR A 77 11.380 10.304 0.076 1.00 30.34 H new ATOM 0 HH TYR A 77 12.031 7.781 -2.256 1.00 64.43 H new ATOM 1297 N VAL A 78 4.594 7.053 0.999 1.00 74.53 N ATOM 1298 CA VAL A 78 3.412 6.358 1.496 1.00 61.31 C ATOM 1299 C VAL A 78 3.569 4.847 1.367 1.00 62.43 C ATOM 1300 O VAL A 78 4.193 4.340 0.435 1.00 60.30 O ATOM 1301 CB VAL A 78 2.144 6.798 0.741 1.00 34.52 C ATOM 1302 CG1 VAL A 78 1.625 8.117 1.293 1.00 2.21 C ATOM 1303 CG2 VAL A 78 2.422 6.906 -0.750 1.00 50.33 C ATOM 0 H VAL A 78 5.147 6.519 0.329 1.00 74.53 H new ATOM 0 HA VAL A 78 3.309 6.621 2.549 1.00 61.31 H new ATOM 0 HB VAL A 78 1.373 6.042 0.889 1.00 34.52 H new ATOM 0 HG11 VAL A 78 0.729 8.412 0.747 1.00 2.21 H new ATOM 0 HG12 VAL A 78 1.384 8.000 2.350 1.00 2.21 H new ATOM 0 HG13 VAL A 78 2.389 8.885 1.178 1.00 2.21 H new ATOM 0 HG21 VAL A 78 1.515 7.218 -1.268 1.00 50.33 H new ATOM 0 HG22 VAL A 78 3.208 7.641 -0.921 1.00 50.33 H new ATOM 0 HG23 VAL A 78 2.742 5.936 -1.132 1.00 50.33 H new ATOM 1313 N PRO A 79 2.988 4.108 2.325 1.00 44.04 N ATOM 1314 CA PRO A 79 3.049 2.642 2.340 1.00 10.34 C ATOM 1315 C PRO A 79 2.224 2.018 1.220 1.00 40.23 C ATOM 1316 O PRO A 79 1.034 2.301 1.080 1.00 45.03 O ATOM 1317 CB PRO A 79 2.461 2.278 3.706 1.00 42.41 C ATOM 1318 CG PRO A 79 1.577 3.426 4.057 1.00 52.14 C ATOM 1319 CD PRO A 79 2.228 4.645 3.466 1.00 43.33 C ATOM 0 HA PRO A 79 4.063 2.273 2.185 1.00 10.34 H new ATOM 0 HB2 PRO A 79 1.899 1.345 3.659 1.00 42.41 H new ATOM 0 HB3 PRO A 79 3.245 2.140 4.450 1.00 42.41 H new ATOM 0 HG2 PRO A 79 0.575 3.284 3.653 1.00 52.14 H new ATOM 0 HG3 PRO A 79 1.474 3.523 5.138 1.00 52.14 H new ATOM 0 HD2 PRO A 79 1.489 5.380 3.146 1.00 43.33 H new ATOM 0 HD3 PRO A 79 2.880 5.141 4.185 1.00 43.33 H new ATOM 1327 N SER A 80 2.864 1.165 0.425 1.00 33.44 N ATOM 1328 CA SER A 80 2.188 0.502 -0.685 1.00 64.53 C ATOM 1329 C SER A 80 1.089 -0.425 -0.176 1.00 32.35 C ATOM 1330 O SER A 80 0.234 -0.869 -0.941 1.00 14.44 O ATOM 1331 CB SER A 80 3.196 -0.294 -1.518 1.00 72.43 C ATOM 1332 OG SER A 80 2.544 -1.031 -2.538 1.00 60.31 O ATOM 0 H SER A 80 3.848 0.917 0.529 1.00 33.44 H new ATOM 0 HA SER A 80 1.731 1.268 -1.311 1.00 64.53 H new ATOM 0 HB2 SER A 80 3.922 0.386 -1.964 1.00 72.43 H new ATOM 0 HB3 SER A 80 3.751 -0.974 -0.871 1.00 72.43 H new ATOM 0 HG SER A 80 2.679 -0.586 -3.401 1.00 60.31 H new ATOM 1338 N ASN A 81 1.117 -0.710 1.122 1.00 14.52 N ATOM 1339 CA ASN A 81 0.121 -1.582 1.734 1.00 63.05 C ATOM 1340 C ASN A 81 -1.225 -0.876 1.850 1.00 12.20 C ATOM 1341 O ASN A 81 -2.279 -1.508 1.772 1.00 1.10 O ATOM 1342 CB ASN A 81 0.592 -2.036 3.117 1.00 44.03 C ATOM 1343 CG ASN A 81 -0.032 -1.223 4.235 1.00 73.50 C ATOM 1344 OD1 ASN A 81 0.244 -0.034 4.383 1.00 10.41 O ATOM 1345 ND2 ASN A 81 -0.879 -1.866 5.031 1.00 20.23 N ATOM 0 H ASN A 81 1.818 -0.350 1.770 1.00 14.52 H new ATOM 0 HA ASN A 81 -0.002 -2.455 1.094 1.00 63.05 H new ATOM 0 HB2 ASN A 81 0.345 -3.089 3.255 1.00 44.03 H new ATOM 0 HB3 ASN A 81 1.677 -1.954 3.173 1.00 44.03 H new ATOM 0 HD21 ASN A 81 -1.329 -1.372 5.802 1.00 20.23 H new ATOM 0 HD22 ASN A 81 -1.079 -2.853 4.872 1.00 20.23 H new ATOM 1352 N TYR A 82 -1.183 0.440 2.034 1.00 23.11 N ATOM 1353 CA TYR A 82 -2.399 1.233 2.162 1.00 33.01 C ATOM 1354 C TYR A 82 -2.778 1.870 0.829 1.00 44.44 C ATOM 1355 O TYR A 82 -3.730 2.645 0.744 1.00 21.12 O ATOM 1356 CB TYR A 82 -2.216 2.318 3.225 1.00 21.00 C ATOM 1357 CG TYR A 82 -2.223 1.786 4.640 1.00 60.34 C ATOM 1358 CD1 TYR A 82 -3.124 0.801 5.029 1.00 32.21 C ATOM 1359 CD2 TYR A 82 -1.330 2.268 5.589 1.00 42.25 C ATOM 1360 CE1 TYR A 82 -3.135 0.314 6.321 1.00 71.32 C ATOM 1361 CE2 TYR A 82 -1.332 1.784 6.882 1.00 73.22 C ATOM 1362 CZ TYR A 82 -2.236 0.807 7.244 1.00 21.43 C ATOM 1363 OH TYR A 82 -2.244 0.323 8.532 1.00 64.21 O ATOM 0 H TYR A 82 -0.319 0.979 2.098 1.00 23.11 H new ATOM 0 HA TYR A 82 -3.206 0.567 2.467 1.00 33.01 H new ATOM 0 HB2 TYR A 82 -1.274 2.836 3.045 1.00 21.00 H new ATOM 0 HB3 TYR A 82 -3.011 3.056 3.119 1.00 21.00 H new ATOM 0 HD1 TYR A 82 -3.827 0.410 4.308 1.00 32.21 H new ATOM 0 HD2 TYR A 82 -0.622 3.035 5.310 1.00 42.25 H new ATOM 0 HE1 TYR A 82 -3.844 -0.449 6.607 1.00 71.32 H new ATOM 0 HE2 TYR A 82 -0.629 2.168 7.606 1.00 73.22 H new ATOM 0 HH TYR A 82 -1.681 -0.478 8.584 1.00 64.21 H new ATOM 1373 N VAL A 83 -2.022 1.538 -0.213 1.00 45.22 N ATOM 1374 CA VAL A 83 -2.276 2.077 -1.545 1.00 74.33 C ATOM 1375 C VAL A 83 -2.472 0.956 -2.561 1.00 21.05 C ATOM 1376 O VAL A 83 -2.039 -0.174 -2.345 1.00 74.31 O ATOM 1377 CB VAL A 83 -1.123 2.984 -2.014 1.00 22.03 C ATOM 1378 CG1 VAL A 83 -0.104 2.184 -2.813 1.00 34.43 C ATOM 1379 CG2 VAL A 83 -1.662 4.147 -2.832 1.00 43.50 C ATOM 0 H VAL A 83 -1.229 0.899 -0.161 1.00 45.22 H new ATOM 0 HA VAL A 83 -3.189 2.669 -1.479 1.00 74.33 H new ATOM 0 HB VAL A 83 -0.621 3.389 -1.136 1.00 22.03 H new ATOM 0 HG11 VAL A 83 0.703 2.842 -3.136 1.00 34.43 H new ATOM 0 HG12 VAL A 83 0.304 1.388 -2.189 1.00 34.43 H new ATOM 0 HG13 VAL A 83 -0.588 1.748 -3.687 1.00 34.43 H new ATOM 0 HG21 VAL A 83 -0.835 4.778 -3.156 1.00 43.50 H new ATOM 0 HG22 VAL A 83 -2.190 3.764 -3.706 1.00 43.50 H new ATOM 0 HG23 VAL A 83 -2.349 4.734 -2.222 1.00 43.50 H new ATOM 1389 N GLU A 84 -3.129 1.281 -3.671 1.00 3.43 N ATOM 1390 CA GLU A 84 -3.383 0.303 -4.722 1.00 75.54 C ATOM 1391 C GLU A 84 -3.696 0.993 -6.045 1.00 22.34 C ATOM 1392 O GLU A 84 -4.776 1.554 -6.225 1.00 21.00 O ATOM 1393 CB GLU A 84 -4.542 -0.615 -4.325 1.00 0.32 C ATOM 1394 CG GLU A 84 -4.987 -1.549 -5.438 1.00 35.44 C ATOM 1395 CD GLU A 84 -5.291 -2.947 -4.937 1.00 51.32 C ATOM 1396 OE1 GLU A 84 -6.403 -3.162 -4.412 1.00 15.22 O ATOM 1397 OE2 GLU A 84 -4.417 -3.829 -5.073 1.00 12.31 O ATOM 0 H GLU A 84 -3.494 2.213 -3.865 1.00 3.43 H new ATOM 0 HA GLU A 84 -2.481 -0.296 -4.851 1.00 75.54 H new ATOM 0 HB2 GLU A 84 -4.244 -1.209 -3.461 1.00 0.32 H new ATOM 0 HB3 GLU A 84 -5.389 -0.003 -4.015 1.00 0.32 H new ATOM 0 HG2 GLU A 84 -5.875 -1.138 -5.919 1.00 35.44 H new ATOM 0 HG3 GLU A 84 -4.207 -1.601 -6.198 1.00 35.44 H new ATOM 1404 N ARG A 85 -2.742 0.948 -6.969 1.00 45.31 N ATOM 1405 CA ARG A 85 -2.914 1.571 -8.276 1.00 61.32 C ATOM 1406 C ARG A 85 -4.182 1.064 -8.956 1.00 44.53 C ATOM 1407 O ARG A 85 -4.720 0.018 -8.593 1.00 35.33 O ATOM 1408 CB ARG A 85 -1.699 1.290 -9.163 1.00 23.44 C ATOM 1409 CG ARG A 85 -1.317 -0.181 -9.224 1.00 4.14 C ATOM 1410 CD ARG A 85 -2.232 -0.954 -10.160 1.00 31.02 C ATOM 1411 NE ARG A 85 -3.006 -1.970 -9.452 1.00 33.31 N ATOM 1412 CZ ARG A 85 -2.537 -3.177 -9.154 1.00 3.12 C ATOM 1413 NH1 ARG A 85 -1.303 -3.516 -9.499 1.00 20.03 N ATOM 1414 NH2 ARG A 85 -3.303 -4.046 -8.507 1.00 23.52 N ATOM 0 H ARG A 85 -1.842 0.487 -6.837 1.00 45.31 H new ATOM 0 HA ARG A 85 -3.006 2.647 -8.129 1.00 61.32 H new ATOM 0 HB2 ARG A 85 -1.907 1.645 -10.172 1.00 23.44 H new ATOM 0 HB3 ARG A 85 -0.849 1.863 -8.792 1.00 23.44 H new ATOM 0 HG2 ARG A 85 -0.285 -0.277 -9.561 1.00 4.14 H new ATOM 0 HG3 ARG A 85 -1.367 -0.613 -8.225 1.00 4.14 H new ATOM 0 HD2 ARG A 85 -2.911 -0.261 -10.657 1.00 31.02 H new ATOM 0 HD3 ARG A 85 -1.636 -1.430 -10.939 1.00 31.02 H new ATOM 0 HE ARG A 85 -3.959 -1.740 -9.171 1.00 33.31 H new ATOM 0 HH11 ARG A 85 -0.711 -2.850 -9.995 1.00 20.03 H new ATOM 0 HH12 ARG A 85 -0.946 -4.443 -9.269 1.00 20.03 H new ATOM 0 HH21 ARG A 85 -4.252 -3.788 -8.238 1.00 23.52 H new ATOM 0 HH22 ARG A 85 -2.942 -4.972 -8.279 1.00 23.52 H new ATOM 1428 N LYS A 86 -4.655 1.813 -9.948 1.00 62.32 N ATOM 1429 CA LYS A 86 -5.859 1.441 -10.680 1.00 53.52 C ATOM 1430 C LYS A 86 -5.629 0.173 -11.497 1.00 30.54 C ATOM 1431 O LYS A 86 -6.302 -0.839 -11.293 1.00 11.52 O ATOM 1432 CB LYS A 86 -6.292 2.583 -11.603 1.00 54.12 C ATOM 1433 CG LYS A 86 -7.760 2.529 -11.990 1.00 61.40 C ATOM 1434 CD LYS A 86 -8.162 3.735 -12.821 1.00 0.44 C ATOM 1435 CE LYS A 86 -9.655 3.741 -13.109 1.00 34.35 C ATOM 1436 NZ LYS A 86 -9.943 4.029 -14.541 1.00 13.01 N ATOM 0 H LYS A 86 -4.222 2.681 -10.263 1.00 62.32 H new ATOM 0 HA LYS A 86 -6.650 1.247 -9.955 1.00 53.52 H new ATOM 0 HB2 LYS A 86 -6.090 3.534 -11.110 1.00 54.12 H new ATOM 0 HB3 LYS A 86 -5.685 2.557 -12.508 1.00 54.12 H new ATOM 0 HG2 LYS A 86 -7.955 1.616 -12.553 1.00 61.40 H new ATOM 0 HG3 LYS A 86 -8.373 2.485 -11.090 1.00 61.40 H new ATOM 0 HD2 LYS A 86 -7.888 4.649 -12.294 1.00 0.44 H new ATOM 0 HD3 LYS A 86 -7.609 3.731 -13.760 1.00 0.44 H new ATOM 0 HE2 LYS A 86 -10.080 2.774 -12.840 1.00 34.35 H new ATOM 0 HE3 LYS A 86 -10.142 4.489 -12.483 1.00 34.35 H new ATOM 0 HZ1 LYS A 86 -10.971 4.024 -14.696 1.00 13.01 H new ATOM 0 HZ2 LYS A 86 -9.560 4.963 -14.791 1.00 13.01 H new ATOM 0 HZ3 LYS A 86 -9.500 3.302 -15.137 1.00 13.01 H new