USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 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 53 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -134:sc= 0.531 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= 1.71 (180deg=-0.508) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00811 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -167:sc= -0.054 (180deg=-0.214) USER MOD Single : A 66 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.18) USER MOD Single : A 70 SER OG : rot -175:sc= 1.3 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.346 -11.951 5.525 1.00 11.33 N ATOM 42 CA LEU A 4 -11.260 -10.857 4.537 1.00 53.31 C ATOM 43 C LEU A 4 -10.815 -11.382 3.158 1.00 10.00 C ATOM 44 O LEU A 4 -10.301 -12.496 3.058 1.00 50.21 O ATOM 45 CB LEU A 4 -10.294 -9.759 5.028 1.00 14.42 C ATOM 46 CG LEU A 4 -10.826 -8.779 6.094 1.00 52.23 C ATOM 47 CD1 LEU A 4 -11.860 -7.829 5.511 1.00 74.14 C ATOM 48 CD2 LEU A 4 -11.373 -9.452 7.351 1.00 61.13 C ATOM 0 HA LEU A 4 -12.256 -10.427 4.429 1.00 53.31 H new ATOM 0 HB2 LEU A 4 -9.405 -10.246 5.430 1.00 14.42 H new ATOM 0 HB3 LEU A 4 -9.976 -9.177 4.163 1.00 14.42 H new ATOM 0 HG LEU A 4 -9.952 -8.210 6.411 1.00 52.23 H new ATOM 0 HD11 LEU A 4 -12.213 -7.153 6.290 1.00 74.14 H new ATOM 0 HD12 LEU A 4 -11.409 -7.250 4.705 1.00 74.14 H new ATOM 0 HD13 LEU A 4 -12.701 -8.402 5.119 1.00 74.14 H new ATOM 0 HD21 LEU A 4 -11.726 -8.691 8.047 1.00 61.13 H new ATOM 0 HD22 LEU A 4 -12.200 -10.109 7.082 1.00 61.13 H new ATOM 0 HD23 LEU A 4 -10.584 -10.038 7.823 1.00 61.13 H new ATOM 59 N SER A 5 -10.960 -10.573 2.100 1.00 43.41 N ATOM 60 CA SER A 5 -10.353 -10.801 0.784 1.00 1.44 C ATOM 61 C SER A 5 -9.533 -9.576 0.374 1.00 52.24 C ATOM 62 O SER A 5 -9.742 -8.493 0.924 1.00 21.40 O ATOM 63 CB SER A 5 -11.415 -11.006 -0.307 1.00 42.01 C ATOM 64 OG SER A 5 -12.449 -11.914 0.007 1.00 31.14 O ATOM 0 H SER A 5 -11.518 -9.720 2.138 1.00 43.41 H new ATOM 0 HA SER A 5 -9.735 -11.694 0.872 1.00 1.44 H new ATOM 0 HB2 SER A 5 -11.863 -10.040 -0.538 1.00 42.01 H new ATOM 0 HB3 SER A 5 -10.917 -11.351 -1.213 1.00 42.01 H new ATOM 0 HG SER A 5 -13.072 -11.973 -0.747 1.00 31.14 H new ATOM 69 N THR A 6 -8.715 -9.716 -0.672 1.00 1.20 N ATOM 70 CA THR A 6 -7.943 -8.636 -1.259 1.00 71.55 C ATOM 71 C THR A 6 -8.814 -7.431 -1.634 1.00 72.22 C ATOM 72 O THR A 6 -8.508 -6.315 -1.211 1.00 12.33 O ATOM 73 CB THR A 6 -7.069 -9.178 -2.405 1.00 25.20 C ATOM 74 OG1 THR A 6 -6.366 -10.342 -1.994 1.00 34.40 O ATOM 75 CG2 THR A 6 -6.065 -8.101 -2.787 1.00 63.53 C ATOM 0 H THR A 6 -8.573 -10.610 -1.141 1.00 1.20 H new ATOM 0 HA THR A 6 -7.260 -8.238 -0.509 1.00 71.55 H new ATOM 0 HB THR A 6 -7.704 -9.438 -3.252 1.00 25.20 H new ATOM 0 HG1 THR A 6 -5.429 -10.273 -2.272 1.00 34.40 H new ATOM 0 HG21 THR A 6 -5.434 -8.463 -3.598 1.00 63.53 H new ATOM 0 HG22 THR A 6 -6.597 -7.207 -3.112 1.00 63.53 H new ATOM 0 HG23 THR A 6 -5.444 -7.860 -1.924 1.00 63.53 H new ATOM 83 N ASP A 7 -9.920 -7.646 -2.358 1.00 33.11 N ATOM 84 CA ASP A 7 -10.832 -6.563 -2.759 1.00 32.23 C ATOM 85 C ASP A 7 -11.326 -5.772 -1.541 1.00 65.24 C ATOM 86 O ASP A 7 -11.439 -4.548 -1.598 1.00 41.05 O ATOM 87 CB ASP A 7 -12.019 -7.131 -3.555 1.00 21.12 C ATOM 88 CG ASP A 7 -13.078 -6.072 -3.913 1.00 52.34 C ATOM 89 OD1 ASP A 7 -14.021 -5.858 -3.111 1.00 34.43 O ATOM 90 OD2 ASP A 7 -13.030 -5.528 -5.044 1.00 45.31 O ATOM 0 H ASP A 7 -10.208 -8.569 -2.682 1.00 33.11 H new ATOM 0 HA ASP A 7 -10.279 -5.875 -3.399 1.00 32.23 H new ATOM 0 HB2 ASP A 7 -11.647 -7.587 -4.473 1.00 21.12 H new ATOM 0 HB3 ASP A 7 -12.490 -7.924 -2.974 1.00 21.12 H new ATOM 94 N ILE A 8 -11.566 -6.463 -0.419 1.00 53.02 N ATOM 95 CA ILE A 8 -12.134 -5.871 0.783 1.00 54.43 C ATOM 96 C ILE A 8 -11.190 -4.824 1.372 1.00 33.42 C ATOM 97 O ILE A 8 -11.631 -3.708 1.657 1.00 72.53 O ATOM 98 CB ILE A 8 -12.496 -6.919 1.844 1.00 52.25 C ATOM 99 CG1 ILE A 8 -13.354 -8.069 1.303 1.00 41.21 C ATOM 100 CG2 ILE A 8 -13.211 -6.195 3.000 1.00 10.23 C ATOM 101 CD1 ILE A 8 -14.699 -7.701 0.686 1.00 42.03 C ATOM 0 H ILE A 8 -11.366 -7.459 -0.327 1.00 53.02 H new ATOM 0 HA ILE A 8 -13.062 -5.385 0.481 1.00 54.43 H new ATOM 0 HB ILE A 8 -11.575 -7.390 2.187 1.00 52.25 H new ATOM 0 HG12 ILE A 8 -12.771 -8.601 0.551 1.00 41.21 H new ATOM 0 HG13 ILE A 8 -13.536 -8.768 2.119 1.00 41.21 H new ATOM 0 HG21 ILE A 8 -13.481 -6.917 3.770 1.00 10.23 H new ATOM 0 HG22 ILE A 8 -12.546 -5.443 3.425 1.00 10.23 H new ATOM 0 HG23 ILE A 8 -14.113 -5.712 2.624 1.00 10.23 H new ATOM 0 HD11 ILE A 8 -15.202 -8.605 0.344 1.00 42.03 H new ATOM 0 HD12 ILE A 8 -15.317 -7.202 1.432 1.00 42.03 H new ATOM 0 HD13 ILE A 8 -14.540 -7.032 -0.160 1.00 42.03 H new ATOM 112 N TRP A 9 -9.918 -5.178 1.601 1.00 1.43 N ATOM 113 CA TRP A 9 -8.995 -4.251 2.247 1.00 23.14 C ATOM 114 C TRP A 9 -8.798 -3.027 1.380 1.00 74.14 C ATOM 115 O TRP A 9 -8.779 -1.926 1.919 1.00 21.24 O ATOM 116 CB TRP A 9 -7.622 -4.861 2.491 1.00 25.50 C ATOM 117 CG TRP A 9 -7.581 -6.104 3.307 1.00 11.33 C ATOM 118 CD1 TRP A 9 -8.121 -6.294 4.532 1.00 43.15 C ATOM 119 CD2 TRP A 9 -7.027 -7.382 2.901 1.00 5.32 C ATOM 120 NE1 TRP A 9 -7.859 -7.591 4.930 1.00 45.35 N ATOM 121 CE2 TRP A 9 -7.321 -8.339 3.907 1.00 2.04 C ATOM 122 CE3 TRP A 9 -6.344 -7.832 1.755 1.00 64.41 C ATOM 123 CZ2 TRP A 9 -7.070 -9.705 3.721 1.00 11.03 C ATOM 124 CZ3 TRP A 9 -6.087 -9.201 1.559 1.00 22.21 C ATOM 125 CH2 TRP A 9 -6.514 -10.139 2.510 1.00 11.01 C ATOM 0 H TRP A 9 -9.516 -6.082 1.352 1.00 1.43 H new ATOM 0 HA TRP A 9 -9.444 -3.996 3.207 1.00 23.14 H new ATOM 0 HB2 TRP A 9 -7.167 -5.073 1.524 1.00 25.50 H new ATOM 0 HB3 TRP A 9 -6.998 -4.112 2.979 1.00 25.50 H new ATOM 0 HD1 TRP A 9 -8.665 -5.556 5.103 1.00 43.15 H new ATOM 0 HE1 TRP A 9 -8.042 -7.950 5.867 1.00 45.35 H new ATOM 0 HE3 TRP A 9 -6.013 -7.117 1.017 1.00 64.41 H new ATOM 0 HZ2 TRP A 9 -7.302 -10.415 4.501 1.00 11.03 H new ATOM 0 HZ3 TRP A 9 -5.560 -9.530 0.675 1.00 22.21 H new ATOM 0 HH2 TRP A 9 -6.414 -11.195 2.309 1.00 11.01 H new ATOM 135 N VAL A 10 -8.656 -3.200 0.062 1.00 11.14 N ATOM 136 CA VAL A 10 -8.496 -2.064 -0.830 1.00 10.13 C ATOM 137 C VAL A 10 -9.738 -1.180 -0.719 1.00 2.20 C ATOM 138 O VAL A 10 -9.606 0.022 -0.487 1.00 61.22 O ATOM 139 CB VAL A 10 -8.184 -2.543 -2.259 1.00 65.42 C ATOM 140 CG1 VAL A 10 -8.028 -1.338 -3.197 1.00 42.12 C ATOM 141 CG2 VAL A 10 -6.883 -3.369 -2.247 1.00 41.13 C ATOM 0 H VAL A 10 -8.649 -4.109 -0.400 1.00 11.14 H new ATOM 0 HA VAL A 10 -7.641 -1.453 -0.542 1.00 10.13 H new ATOM 0 HB VAL A 10 -9.006 -3.162 -2.619 1.00 65.42 H new ATOM 0 HG11 VAL A 10 -7.807 -1.688 -4.205 1.00 42.12 H new ATOM 0 HG12 VAL A 10 -8.954 -0.762 -3.207 1.00 42.12 H new ATOM 0 HG13 VAL A 10 -7.212 -0.707 -2.846 1.00 42.12 H new ATOM 0 HG21 VAL A 10 -6.659 -3.710 -3.258 1.00 41.13 H new ATOM 0 HG22 VAL A 10 -6.063 -2.751 -1.883 1.00 41.13 H new ATOM 0 HG23 VAL A 10 -7.006 -4.232 -1.592 1.00 41.13 H new ATOM 151 N ALA A 11 -10.939 -1.761 -0.799 1.00 32.52 N ATOM 152 CA ALA A 11 -12.180 -1.014 -0.680 1.00 1.41 C ATOM 153 C ALA A 11 -12.238 -0.224 0.633 1.00 45.25 C ATOM 154 O ALA A 11 -12.582 0.959 0.636 1.00 42.35 O ATOM 155 CB ALA A 11 -13.361 -1.985 -0.788 1.00 52.03 C ATOM 0 H ALA A 11 -11.071 -2.761 -0.948 1.00 32.52 H new ATOM 0 HA ALA A 11 -12.232 -0.286 -1.490 1.00 1.41 H new ATOM 0 HB1 ALA A 11 -14.296 -1.432 -0.700 1.00 52.03 H new ATOM 0 HB2 ALA A 11 -13.329 -2.491 -1.753 1.00 52.03 H new ATOM 0 HB3 ALA A 11 -13.299 -2.723 0.011 1.00 52.03 H new ATOM 161 N ALA A 12 -11.882 -0.878 1.744 1.00 33.24 N ATOM 162 CA ALA A 12 -11.874 -0.296 3.074 1.00 31.50 C ATOM 163 C ALA A 12 -10.873 0.850 3.130 1.00 10.11 C ATOM 164 O ALA A 12 -11.248 1.978 3.435 1.00 33.41 O ATOM 165 CB ALA A 12 -11.555 -1.372 4.124 1.00 10.30 C ATOM 0 H ALA A 12 -11.585 -1.854 1.733 1.00 33.24 H new ATOM 0 HA ALA A 12 -12.862 0.105 3.300 1.00 31.50 H new ATOM 0 HB1 ALA A 12 -11.552 -0.922 5.117 1.00 10.30 H new ATOM 0 HB2 ALA A 12 -12.311 -2.156 4.083 1.00 10.30 H new ATOM 0 HB3 ALA A 12 -10.575 -1.802 3.918 1.00 10.30 H new ATOM 171 N LEU A 13 -9.604 0.571 2.856 1.00 52.04 N ATOM 172 CA LEU A 13 -8.497 1.513 2.846 1.00 41.44 C ATOM 173 C LEU A 13 -8.852 2.761 2.035 1.00 21.41 C ATOM 174 O LEU A 13 -8.727 3.865 2.557 1.00 5.42 O ATOM 175 CB LEU A 13 -7.230 0.796 2.357 1.00 25.51 C ATOM 176 CG LEU A 13 -6.054 1.744 2.072 1.00 65.22 C ATOM 177 CD1 LEU A 13 -5.599 2.520 3.319 1.00 43.11 C ATOM 178 CD2 LEU A 13 -4.883 0.899 1.563 1.00 34.31 C ATOM 0 H LEU A 13 -9.305 -0.376 2.621 1.00 52.04 H new ATOM 0 HA LEU A 13 -8.295 1.872 3.855 1.00 41.44 H new ATOM 0 HB2 LEU A 13 -6.924 0.067 3.107 1.00 25.51 H new ATOM 0 HB3 LEU A 13 -7.465 0.240 1.449 1.00 25.51 H new ATOM 0 HG LEU A 13 -6.381 2.479 1.337 1.00 65.22 H new ATOM 0 HD11 LEU A 13 -4.766 3.173 3.057 1.00 43.11 H new ATOM 0 HD12 LEU A 13 -6.427 3.121 3.696 1.00 43.11 H new ATOM 0 HD13 LEU A 13 -5.281 1.817 4.089 1.00 43.11 H new ATOM 0 HD21 LEU A 13 -4.032 1.546 1.352 1.00 34.31 H new ATOM 0 HD22 LEU A 13 -4.604 0.169 2.323 1.00 34.31 H new ATOM 0 HD23 LEU A 13 -5.178 0.379 0.652 1.00 34.31 H new ATOM 189 N ILE A 14 -9.341 2.606 0.805 1.00 21.54 N ATOM 190 CA ILE A 14 -9.715 3.738 -0.043 1.00 1.41 C ATOM 191 C ILE A 14 -10.860 4.544 0.578 1.00 34.41 C ATOM 192 O ILE A 14 -10.872 5.767 0.444 1.00 33.25 O ATOM 193 CB ILE A 14 -10.016 3.221 -1.470 1.00 13.24 C ATOM 194 CG1 ILE A 14 -8.731 2.682 -2.132 1.00 22.21 C ATOM 195 CG2 ILE A 14 -10.659 4.264 -2.405 1.00 23.34 C ATOM 196 CD1 ILE A 14 -7.593 3.701 -2.222 1.00 13.31 C ATOM 0 H ILE A 14 -9.489 1.696 0.369 1.00 21.54 H new ATOM 0 HA ILE A 14 -8.885 4.441 -0.119 1.00 1.41 H new ATOM 0 HB ILE A 14 -10.749 2.426 -1.334 1.00 13.24 H new ATOM 0 HG12 ILE A 14 -8.383 1.815 -1.570 1.00 22.21 H new ATOM 0 HG13 ILE A 14 -8.972 2.335 -3.137 1.00 22.21 H new ATOM 0 HG21 ILE A 14 -10.835 3.816 -3.383 1.00 23.34 H new ATOM 0 HG22 ILE A 14 -11.607 4.596 -1.982 1.00 23.34 H new ATOM 0 HG23 ILE A 14 -9.990 5.118 -2.512 1.00 23.34 H new ATOM 0 HD11 ILE A 14 -6.729 3.240 -2.700 1.00 13.31 H new ATOM 0 HD12 ILE A 14 -7.918 4.559 -2.811 1.00 13.31 H new ATOM 0 HD13 ILE A 14 -7.320 4.031 -1.220 1.00 13.31 H new ATOM 207 N ARG A 15 -11.795 3.904 1.290 1.00 11.13 N ATOM 208 CA ARG A 15 -12.798 4.639 2.082 1.00 71.54 C ATOM 209 C ARG A 15 -12.084 5.488 3.136 1.00 43.20 C ATOM 210 O ARG A 15 -12.146 6.712 3.092 1.00 34.41 O ATOM 211 CB ARG A 15 -13.877 3.736 2.732 1.00 34.31 C ATOM 212 CG ARG A 15 -15.011 3.274 1.804 1.00 11.43 C ATOM 213 CD ARG A 15 -16.093 4.352 1.599 1.00 74.12 C ATOM 214 NE ARG A 15 -16.338 4.641 0.178 1.00 74.31 N ATOM 215 CZ ARG A 15 -16.963 5.724 -0.299 1.00 23.20 C ATOM 216 NH1 ARG A 15 -17.620 6.557 0.492 1.00 11.22 N ATOM 217 NH2 ARG A 15 -16.930 5.986 -1.598 1.00 63.12 N ATOM 0 H ARG A 15 -11.881 2.889 1.337 1.00 11.13 H new ATOM 0 HA ARG A 15 -13.345 5.278 1.389 1.00 71.54 H new ATOM 0 HB2 ARG A 15 -13.386 2.853 3.142 1.00 34.31 H new ATOM 0 HB3 ARG A 15 -14.317 4.275 3.571 1.00 34.31 H new ATOM 0 HG2 ARG A 15 -14.592 2.998 0.836 1.00 11.43 H new ATOM 0 HG3 ARG A 15 -15.472 2.378 2.220 1.00 11.43 H new ATOM 0 HD2 ARG A 15 -17.022 4.023 2.065 1.00 74.12 H new ATOM 0 HD3 ARG A 15 -15.789 5.268 2.106 1.00 74.12 H new ATOM 0 HE ARG A 15 -16.003 3.958 -0.502 1.00 74.31 H new ATOM 0 HH11 ARG A 15 -17.660 6.382 1.496 1.00 11.22 H new ATOM 0 HH12 ARG A 15 -18.086 7.374 0.098 1.00 11.22 H new ATOM 0 HH21 ARG A 15 -16.429 5.363 -2.231 1.00 63.12 H new ATOM 0 HH22 ARG A 15 -17.406 6.811 -1.964 1.00 63.12 H new ATOM 228 N ARG A 16 -11.428 4.850 4.113 1.00 22.15 N ATOM 229 CA ARG A 16 -10.903 5.532 5.299 1.00 12.14 C ATOM 230 C ARG A 16 -9.850 6.586 4.959 1.00 1.31 C ATOM 231 O ARG A 16 -9.810 7.614 5.635 1.00 33.43 O ATOM 232 CB ARG A 16 -10.414 4.539 6.372 1.00 72.14 C ATOM 233 CG ARG A 16 -9.636 3.310 5.866 1.00 4.03 C ATOM 234 CD ARG A 16 -10.150 1.958 6.390 1.00 4.11 C ATOM 235 NE ARG A 16 -11.598 1.770 6.155 1.00 24.34 N ATOM 236 CZ ARG A 16 -12.498 1.254 7.000 1.00 51.45 C ATOM 237 NH1 ARG A 16 -12.101 0.810 8.183 1.00 30.32 N ATOM 238 NH2 ARG A 16 -13.777 1.159 6.657 1.00 14.12 N ATOM 0 H ARG A 16 -11.247 3.846 4.102 1.00 22.15 H new ATOM 0 HA ARG A 16 -11.742 6.076 5.734 1.00 12.14 H new ATOM 0 HB2 ARG A 16 -9.779 5.080 7.074 1.00 72.14 H new ATOM 0 HB3 ARG A 16 -11.281 4.188 6.932 1.00 72.14 H new ATOM 0 HG2 ARG A 16 -9.672 3.299 4.777 1.00 4.03 H new ATOM 0 HG3 ARG A 16 -8.589 3.419 6.149 1.00 4.03 H new ATOM 0 HD2 ARG A 16 -9.599 1.152 5.905 1.00 4.11 H new ATOM 0 HD3 ARG A 16 -9.947 1.886 7.458 1.00 4.11 H new ATOM 0 HE ARG A 16 -11.951 2.068 5.245 1.00 24.34 H new ATOM 0 HH11 ARG A 16 -11.116 0.863 8.443 1.00 30.32 H new ATOM 0 HH12 ARG A 16 -12.780 0.415 8.834 1.00 30.32 H new ATOM 0 HH21 ARG A 16 -14.084 1.481 5.739 1.00 14.12 H new ATOM 0 HH22 ARG A 16 -14.452 0.763 7.311 1.00 14.12 H new ATOM 249 N ALA A 17 -9.034 6.354 3.931 1.00 64.12 N ATOM 250 CA ALA A 17 -8.068 7.322 3.428 1.00 1.32 C ATOM 251 C ALA A 17 -8.777 8.585 2.950 1.00 73.13 C ATOM 252 O ALA A 17 -8.530 9.669 3.475 1.00 4.44 O ATOM 253 CB ALA A 17 -7.252 6.707 2.288 1.00 3.55 C ATOM 0 H ALA A 17 -9.028 5.472 3.418 1.00 64.12 H new ATOM 0 HA ALA A 17 -7.392 7.593 4.239 1.00 1.32 H new ATOM 0 HB1 ALA A 17 -6.533 7.439 1.919 1.00 3.55 H new ATOM 0 HB2 ALA A 17 -6.720 5.828 2.654 1.00 3.55 H new ATOM 0 HB3 ALA A 17 -7.921 6.415 1.478 1.00 3.55 H new ATOM 259 N GLU A 18 -9.664 8.454 1.959 1.00 3.53 N ATOM 260 CA GLU A 18 -10.335 9.608 1.373 1.00 51.32 C ATOM 261 C GLU A 18 -11.146 10.369 2.423 1.00 11.11 C ATOM 262 O GLU A 18 -11.265 11.593 2.344 1.00 10.13 O ATOM 263 CB GLU A 18 -11.265 9.175 0.243 1.00 12.23 C ATOM 264 CG GLU A 18 -10.588 8.924 -1.107 1.00 51.12 C ATOM 265 CD GLU A 18 -11.646 8.916 -2.204 1.00 54.52 C ATOM 266 OE1 GLU A 18 -12.261 9.981 -2.439 1.00 63.42 O ATOM 267 OE2 GLU A 18 -11.932 7.827 -2.749 1.00 23.32 O ATOM 0 H GLU A 18 -9.931 7.559 1.549 1.00 3.53 H new ATOM 0 HA GLU A 18 -9.561 10.266 0.977 1.00 51.32 H new ATOM 0 HB2 GLU A 18 -11.778 8.263 0.548 1.00 12.23 H new ATOM 0 HB3 GLU A 18 -12.028 9.942 0.110 1.00 12.23 H new ATOM 0 HG2 GLU A 18 -9.847 9.698 -1.305 1.00 51.12 H new ATOM 0 HG3 GLU A 18 -10.057 7.972 -1.090 1.00 51.12 H new ATOM 272 N LEU A 19 -11.687 9.656 3.412 1.00 74.04 N ATOM 273 CA LEU A 19 -12.415 10.197 4.555 1.00 63.43 C ATOM 274 C LEU A 19 -11.611 11.221 5.351 1.00 5.34 C ATOM 275 O LEU A 19 -12.184 12.127 5.952 1.00 65.21 O ATOM 276 CB LEU A 19 -12.778 9.025 5.479 1.00 70.10 C ATOM 277 CG LEU A 19 -14.281 8.820 5.586 1.00 42.10 C ATOM 278 CD1 LEU A 19 -14.954 8.463 4.257 1.00 5.23 C ATOM 279 CD2 LEU A 19 -14.547 7.691 6.582 1.00 24.11 C ATOM 0 H LEU A 19 -11.625 8.638 3.437 1.00 74.04 H new ATOM 0 HA LEU A 19 -13.297 10.714 4.175 1.00 63.43 H new ATOM 0 HB2 LEU A 19 -12.315 8.112 5.104 1.00 70.10 H new ATOM 0 HB3 LEU A 19 -12.367 9.207 6.472 1.00 70.10 H new ATOM 0 HG LEU A 19 -14.707 9.769 5.911 1.00 42.10 H new ATOM 0 HD11 LEU A 19 -16.025 8.333 4.415 1.00 5.23 H new ATOM 0 HD12 LEU A 19 -14.788 9.265 3.538 1.00 5.23 H new ATOM 0 HD13 LEU A 19 -14.529 7.537 3.871 1.00 5.23 H new ATOM 0 HD21 LEU A 19 -15.621 7.530 6.671 1.00 24.11 H new ATOM 0 HD22 LEU A 19 -14.071 6.776 6.230 1.00 24.11 H new ATOM 0 HD23 LEU A 19 -14.138 7.961 7.556 1.00 24.11 H new ATOM 290 N GLY A 20 -10.293 11.078 5.375 1.00 31.01 N ATOM 291 CA GLY A 20 -9.377 12.033 5.985 1.00 54.13 C ATOM 292 C GLY A 20 -9.353 13.377 5.255 1.00 51.33 C ATOM 293 O GLY A 20 -9.053 14.416 5.850 1.00 54.30 O ATOM 0 H GLY A 20 -9.819 10.275 4.961 1.00 31.01 H new ATOM 0 HA2 GLY A 20 -9.665 12.194 7.024 1.00 54.13 H new ATOM 0 HA3 GLY A 20 -8.372 11.611 5.994 1.00 54.13 H new ATOM 297 N GLY A 21 -9.721 13.398 3.975 1.00 50.24 N ATOM 298 CA GLY A 21 -9.302 14.432 3.051 1.00 45.20 C ATOM 299 C GLY A 21 -7.870 14.104 2.666 1.00 74.41 C ATOM 300 O GLY A 21 -6.919 14.634 3.246 1.00 10.31 O ATOM 0 H GLY A 21 -10.323 12.690 3.554 1.00 50.24 H new ATOM 0 HA2 GLY A 21 -9.946 14.452 2.172 1.00 45.20 H new ATOM 0 HA3 GLY A 21 -9.364 15.416 3.515 1.00 45.20 H new ATOM 304 N ALA A 22 -7.740 13.146 1.755 1.00 41.22 N ATOM 305 CA ALA A 22 -6.589 12.882 0.912 1.00 51.30 C ATOM 306 C ALA A 22 -7.131 12.178 -0.328 1.00 65.00 C ATOM 307 O ALA A 22 -8.277 11.721 -0.333 1.00 32.04 O ATOM 308 CB ALA A 22 -5.568 12.014 1.647 1.00 2.11 C ATOM 0 H ALA A 22 -8.497 12.486 1.576 1.00 41.22 H new ATOM 0 HA ALA A 22 -6.068 13.801 0.642 1.00 51.30 H new ATOM 0 HB1 ALA A 22 -4.713 11.828 0.997 1.00 2.11 H new ATOM 0 HB2 ALA A 22 -5.234 12.529 2.548 1.00 2.11 H new ATOM 0 HB3 ALA A 22 -6.028 11.065 1.922 1.00 2.11 H new ATOM 314 N PHE A 23 -6.318 12.069 -1.372 1.00 70.24 N ATOM 315 CA PHE A 23 -6.764 11.565 -2.660 1.00 63.31 C ATOM 316 C PHE A 23 -6.251 10.140 -2.809 1.00 31.21 C ATOM 317 O PHE A 23 -5.048 9.942 -2.985 1.00 74.42 O ATOM 318 CB PHE A 23 -6.249 12.504 -3.751 1.00 70.30 C ATOM 319 CG PHE A 23 -6.932 12.371 -5.089 1.00 70.13 C ATOM 320 CD1 PHE A 23 -8.275 12.768 -5.236 1.00 43.14 C ATOM 321 CD2 PHE A 23 -6.195 11.941 -6.205 1.00 65.12 C ATOM 322 CE1 PHE A 23 -8.861 12.790 -6.511 1.00 22.45 C ATOM 323 CE2 PHE A 23 -6.771 11.997 -7.483 1.00 12.53 C ATOM 324 CZ PHE A 23 -8.097 12.431 -7.635 1.00 34.15 C ATOM 0 H PHE A 23 -5.332 12.328 -1.347 1.00 70.24 H new ATOM 0 HA PHE A 23 -7.851 11.538 -2.743 1.00 63.31 H new ATOM 0 HB2 PHE A 23 -6.360 13.532 -3.405 1.00 70.30 H new ATOM 0 HB3 PHE A 23 -5.182 12.327 -3.887 1.00 70.30 H new ATOM 0 HD1 PHE A 23 -8.853 13.055 -4.370 1.00 43.14 H new ATOM 0 HD2 PHE A 23 -5.189 11.569 -6.080 1.00 65.12 H new ATOM 0 HE1 PHE A 23 -9.894 13.081 -6.628 1.00 22.45 H new ATOM 0 HE2 PHE A 23 -6.195 11.706 -8.349 1.00 12.53 H new ATOM 0 HZ PHE A 23 -8.533 12.489 -8.621 1.00 34.15 H new ATOM 333 N ALA A 24 -7.118 9.136 -2.688 1.00 51.11 N ATOM 334 CA ALA A 24 -6.721 7.733 -2.701 1.00 52.32 C ATOM 335 C ALA A 24 -7.482 6.979 -3.788 1.00 71.02 C ATOM 336 O ALA A 24 -8.671 7.241 -3.974 1.00 13.52 O ATOM 337 CB ALA A 24 -6.977 7.134 -1.318 1.00 14.44 C ATOM 0 H ALA A 24 -8.122 9.276 -2.578 1.00 51.11 H new ATOM 0 HA ALA A 24 -5.659 7.647 -2.929 1.00 52.32 H new ATOM 0 HB1 ALA A 24 -6.684 6.084 -1.316 1.00 14.44 H new ATOM 0 HB2 ALA A 24 -6.393 7.675 -0.573 1.00 14.44 H new ATOM 0 HB3 ALA A 24 -8.037 7.215 -1.077 1.00 14.44 H new ATOM 343 N THR A 25 -6.838 6.020 -4.461 1.00 23.34 N ATOM 344 CA THR A 25 -7.490 5.155 -5.443 1.00 45.31 C ATOM 345 C THR A 25 -6.627 3.926 -5.764 1.00 72.13 C ATOM 346 O THR A 25 -5.508 3.790 -5.260 1.00 24.01 O ATOM 347 CB THR A 25 -7.864 5.970 -6.690 1.00 62.34 C ATOM 348 OG1 THR A 25 -8.880 5.295 -7.406 1.00 34.44 O ATOM 349 CG2 THR A 25 -6.661 6.234 -7.586 1.00 61.32 C ATOM 0 H THR A 25 -5.845 5.823 -4.337 1.00 23.34 H new ATOM 0 HA THR A 25 -8.416 4.765 -5.020 1.00 45.31 H new ATOM 0 HB THR A 25 -8.231 6.942 -6.361 1.00 62.34 H new ATOM 0 HG1 THR A 25 -9.121 5.815 -8.201 1.00 34.44 H new ATOM 0 HG21 THR A 25 -6.974 6.813 -8.455 1.00 61.32 H new ATOM 0 HG22 THR A 25 -5.909 6.793 -7.030 1.00 61.32 H new ATOM 0 HG23 THR A 25 -6.238 5.285 -7.916 1.00 61.32 H new ATOM 357 N VAL A 26 -7.134 3.040 -6.622 1.00 31.24 N ATOM 358 CA VAL A 26 -6.595 1.736 -6.973 1.00 54.44 C ATOM 359 C VAL A 26 -6.232 1.683 -8.467 1.00 34.35 C ATOM 360 O VAL A 26 -7.074 1.394 -9.318 1.00 23.42 O ATOM 361 CB VAL A 26 -7.593 0.665 -6.490 1.00 61.12 C ATOM 362 CG1 VAL A 26 -9.067 0.889 -6.878 1.00 51.34 C ATOM 363 CG2 VAL A 26 -7.168 -0.743 -6.913 1.00 62.24 C ATOM 0 H VAL A 26 -7.999 3.236 -7.126 1.00 31.24 H new ATOM 0 HA VAL A 26 -5.650 1.533 -6.470 1.00 54.44 H new ATOM 0 HB VAL A 26 -7.552 0.768 -5.406 1.00 61.12 H new ATOM 0 HG11 VAL A 26 -9.675 0.074 -6.485 1.00 51.34 H new ATOM 0 HG12 VAL A 26 -9.414 1.834 -6.460 1.00 51.34 H new ATOM 0 HG13 VAL A 26 -9.157 0.917 -7.964 1.00 51.34 H new ATOM 0 HG21 VAL A 26 -7.898 -1.467 -6.552 1.00 62.24 H new ATOM 0 HG22 VAL A 26 -7.112 -0.795 -8.000 1.00 62.24 H new ATOM 0 HG23 VAL A 26 -6.191 -0.971 -6.488 1.00 62.24 H new ATOM 373 N ALA A 27 -4.966 1.958 -8.801 1.00 23.02 N ATOM 374 CA ALA A 27 -4.500 2.073 -10.183 1.00 12.53 C ATOM 375 C ALA A 27 -4.305 0.706 -10.851 1.00 4.12 C ATOM 376 O ALA A 27 -4.145 0.611 -12.071 1.00 3.54 O ATOM 377 CB ALA A 27 -3.178 2.851 -10.180 1.00 5.11 C ATOM 0 H ALA A 27 -4.230 2.108 -8.110 1.00 23.02 H new ATOM 0 HA ALA A 27 -5.260 2.597 -10.762 1.00 12.53 H new ATOM 0 HB1 ALA A 27 -2.811 2.949 -11.202 1.00 5.11 H new ATOM 0 HB2 ALA A 27 -3.340 3.842 -9.756 1.00 5.11 H new ATOM 0 HB3 ALA A 27 -2.442 2.316 -9.580 1.00 5.11 H new ATOM 383 N ARG A 28 -4.297 -0.380 -10.072 1.00 64.42 N ATOM 384 CA ARG A 28 -4.069 -1.724 -10.591 1.00 61.41 C ATOM 385 C ARG A 28 -4.994 -2.679 -9.883 1.00 54.02 C ATOM 386 O ARG A 28 -4.973 -2.744 -8.652 1.00 5.40 O ATOM 387 CB ARG A 28 -2.597 -2.105 -10.433 1.00 74.50 C ATOM 388 CG ARG A 28 -2.065 -3.171 -11.404 1.00 41.10 C ATOM 389 CD ARG A 28 -0.818 -2.624 -12.113 1.00 4.03 C ATOM 390 NE ARG A 28 -0.078 -3.656 -12.846 1.00 21.51 N ATOM 391 CZ ARG A 28 1.049 -3.470 -13.540 1.00 53.02 C ATOM 392 NH1 ARG A 28 1.671 -2.292 -13.560 1.00 21.45 N ATOM 393 NH2 ARG A 28 1.568 -4.482 -14.211 1.00 31.14 N ATOM 0 H ARG A 28 -4.449 -0.348 -9.064 1.00 64.42 H new ATOM 0 HA ARG A 28 -4.290 -1.768 -11.657 1.00 61.41 H new ATOM 0 HB2 ARG A 28 -1.995 -1.204 -10.550 1.00 74.50 H new ATOM 0 HB3 ARG A 28 -2.443 -2.461 -9.415 1.00 74.50 H new ATOM 0 HG2 ARG A 28 -1.820 -4.085 -10.862 1.00 41.10 H new ATOM 0 HG3 ARG A 28 -2.831 -3.430 -12.135 1.00 41.10 H new ATOM 0 HD2 ARG A 28 -1.116 -1.837 -12.806 1.00 4.03 H new ATOM 0 HD3 ARG A 28 -0.159 -2.166 -11.376 1.00 4.03 H new ATOM 0 HE ARG A 28 -0.458 -4.602 -12.824 1.00 21.51 H new ATOM 0 HH11 ARG A 28 1.288 -1.504 -13.037 1.00 21.45 H new ATOM 0 HH12 ARG A 28 2.530 -2.178 -14.098 1.00 21.45 H new ATOM 0 HH21 ARG A 28 1.109 -5.393 -14.196 1.00 31.14 H new ATOM 0 HH22 ARG A 28 2.428 -4.353 -14.745 1.00 31.14 H new ATOM 404 N LYS A 29 -5.800 -3.389 -10.662 1.00 4.01 N ATOM 405 CA LYS A 29 -6.566 -4.516 -10.183 1.00 70.35 C ATOM 406 C LYS A 29 -5.610 -5.697 -10.106 1.00 12.02 C ATOM 407 O LYS A 29 -4.951 -5.995 -11.101 1.00 31.24 O ATOM 408 CB LYS A 29 -7.720 -4.774 -11.167 1.00 14.12 C ATOM 409 CG LYS A 29 -8.626 -5.957 -10.787 1.00 63.35 C ATOM 410 CD LYS A 29 -9.260 -5.813 -9.397 1.00 12.04 C ATOM 411 CE LYS A 29 -10.300 -4.692 -9.354 1.00 2.24 C ATOM 412 NZ LYS A 29 -11.620 -5.139 -9.841 1.00 61.53 N ATOM 0 H LYS A 29 -5.937 -3.191 -11.653 1.00 4.01 H new ATOM 0 HA LYS A 29 -7.002 -4.341 -9.200 1.00 70.35 H new ATOM 0 HB2 LYS A 29 -8.330 -3.873 -11.237 1.00 14.12 H new ATOM 0 HB3 LYS A 29 -7.303 -4.955 -12.158 1.00 14.12 H new ATOM 0 HG2 LYS A 29 -9.417 -6.054 -11.531 1.00 63.35 H new ATOM 0 HG3 LYS A 29 -8.043 -6.877 -10.819 1.00 63.35 H new ATOM 0 HD2 LYS A 29 -9.730 -6.755 -9.114 1.00 12.04 H new ATOM 0 HD3 LYS A 29 -8.480 -5.612 -8.662 1.00 12.04 H new ATOM 0 HE2 LYS A 29 -10.396 -4.327 -8.332 1.00 2.24 H new ATOM 0 HE3 LYS A 29 -9.955 -3.855 -9.961 1.00 2.24 H new ATOM 0 HZ1 LYS A 29 -12.293 -4.348 -9.794 1.00 61.53 H new ATOM 0 HZ2 LYS A 29 -11.535 -5.464 -10.825 1.00 61.53 H new ATOM 0 HZ3 LYS A 29 -11.963 -5.921 -9.247 1.00 61.53 H new ATOM 422 N GLY A 30 -5.543 -6.359 -8.960 1.00 44.43 N ATOM 423 CA GLY A 30 -4.978 -7.691 -8.843 1.00 42.34 C ATOM 424 C GLY A 30 -6.111 -8.687 -8.595 1.00 5.02 C ATOM 425 O GLY A 30 -7.295 -8.347 -8.713 1.00 34.23 O ATOM 0 H GLY A 30 -5.884 -5.980 -8.077 1.00 44.43 H new ATOM 0 HA2 GLY A 30 -4.438 -7.953 -9.753 1.00 42.34 H new ATOM 0 HA3 GLY A 30 -4.259 -7.725 -8.024 1.00 42.34 H new ATOM 429 N ASP A 31 -5.771 -9.914 -8.199 1.00 63.53 N ATOM 430 CA ASP A 31 -6.772 -10.946 -7.922 1.00 1.04 C ATOM 431 C ASP A 31 -7.615 -10.503 -6.725 1.00 50.35 C ATOM 432 O ASP A 31 -7.050 -10.071 -5.715 1.00 12.00 O ATOM 433 CB ASP A 31 -6.143 -12.298 -7.565 1.00 12.14 C ATOM 434 CG ASP A 31 -7.159 -13.417 -7.728 1.00 11.22 C ATOM 435 OD1 ASP A 31 -7.965 -13.588 -6.787 1.00 3.34 O ATOM 436 OD2 ASP A 31 -7.130 -14.138 -8.747 1.00 25.50 O ATOM 0 H ASP A 31 -4.807 -10.219 -8.062 1.00 63.53 H new ATOM 0 HA ASP A 31 -7.367 -11.069 -8.827 1.00 1.04 H new ATOM 0 HB2 ASP A 31 -5.281 -12.485 -8.205 1.00 12.14 H new ATOM 0 HB3 ASP A 31 -5.778 -12.276 -6.538 1.00 12.14 H new ATOM 440 N ALA A 32 -8.942 -10.620 -6.786 1.00 43.25 N ATOM 441 CA ALA A 32 -9.807 -10.223 -5.678 1.00 54.02 C ATOM 442 C ALA A 32 -9.631 -11.083 -4.422 1.00 41.11 C ATOM 443 O ALA A 32 -9.979 -10.621 -3.331 1.00 41.25 O ATOM 444 CB ALA A 32 -11.266 -10.220 -6.133 1.00 4.11 C ATOM 0 H ALA A 32 -9.442 -10.988 -7.595 1.00 43.25 H new ATOM 0 HA ALA A 32 -9.507 -9.215 -5.391 1.00 54.02 H new ATOM 0 HB1 ALA A 32 -11.906 -9.923 -5.302 1.00 4.11 H new ATOM 0 HB2 ALA A 32 -11.389 -9.515 -6.955 1.00 4.11 H new ATOM 0 HB3 ALA A 32 -11.545 -11.219 -6.467 1.00 4.11 H new ATOM 450 N ARG A 33 -9.085 -12.297 -4.541 1.00 63.35 N ATOM 451 CA ARG A 33 -8.938 -13.245 -3.440 1.00 22.11 C ATOM 452 C ARG A 33 -7.499 -13.703 -3.232 1.00 2.34 C ATOM 453 O ARG A 33 -7.191 -14.152 -2.122 1.00 24.31 O ATOM 454 CB ARG A 33 -9.835 -14.458 -3.717 1.00 41.12 C ATOM 455 CG ARG A 33 -11.316 -14.147 -3.464 1.00 51.45 C ATOM 456 CD ARG A 33 -12.111 -15.453 -3.377 1.00 21.54 C ATOM 457 NE ARG A 33 -13.459 -15.249 -2.829 1.00 1.41 N ATOM 458 CZ ARG A 33 -13.967 -15.863 -1.751 1.00 11.02 C ATOM 459 NH1 ARG A 33 -13.280 -16.768 -1.056 1.00 3.24 N ATOM 460 NH2 ARG A 33 -15.203 -15.577 -1.370 1.00 12.10 N ATOM 0 H ARG A 33 -8.726 -12.653 -5.427 1.00 63.35 H new ATOM 0 HA ARG A 33 -9.235 -12.737 -2.523 1.00 22.11 H new ATOM 0 HB2 ARG A 33 -9.703 -14.778 -4.751 1.00 41.12 H new ATOM 0 HB3 ARG A 33 -9.526 -15.290 -3.084 1.00 41.12 H new ATOM 0 HG2 ARG A 33 -11.426 -13.581 -2.539 1.00 51.45 H new ATOM 0 HG3 ARG A 33 -11.709 -13.524 -4.267 1.00 51.45 H new ATOM 0 HD2 ARG A 33 -12.188 -15.896 -4.370 1.00 21.54 H new ATOM 0 HD3 ARG A 33 -11.571 -16.164 -2.752 1.00 21.54 H new ATOM 0 HE ARG A 33 -14.061 -14.582 -3.311 1.00 1.41 H new ATOM 0 HH11 ARG A 33 -12.332 -17.016 -1.339 1.00 3.24 H new ATOM 0 HH12 ARG A 33 -13.702 -17.213 -0.241 1.00 3.24 H new ATOM 0 HH21 ARG A 33 -15.754 -14.898 -1.895 1.00 12.10 H new ATOM 0 HH22 ARG A 33 -15.604 -16.036 -0.552 1.00 12.10 H new ATOM 471 N ALA A 34 -6.638 -13.626 -4.246 1.00 2.20 N ATOM 472 CA ALA A 34 -5.260 -14.112 -4.197 1.00 71.45 C ATOM 473 C ALA A 34 -4.225 -13.048 -4.543 1.00 73.31 C ATOM 474 O ALA A 34 -3.063 -13.378 -4.808 1.00 44.25 O ATOM 475 CB ALA A 34 -5.105 -15.363 -5.075 1.00 34.23 C ATOM 0 H ALA A 34 -6.885 -13.214 -5.146 1.00 2.20 H new ATOM 0 HA ALA A 34 -5.057 -14.381 -3.160 1.00 71.45 H new ATOM 0 HB1 ALA A 34 -4.074 -15.714 -5.029 1.00 34.23 H new ATOM 0 HB2 ALA A 34 -5.772 -16.146 -4.714 1.00 34.23 H new ATOM 0 HB3 ALA A 34 -5.359 -15.118 -6.106 1.00 34.23 H new ATOM 481 N GLY A 35 -4.633 -11.782 -4.592 1.00 72.54 N ATOM 482 CA GLY A 35 -3.780 -10.734 -5.098 1.00 55.22 C ATOM 483 C GLY A 35 -2.993 -10.163 -3.937 1.00 33.14 C ATOM 484 O GLY A 35 -3.524 -10.021 -2.831 1.00 12.41 O ATOM 0 H GLY A 35 -5.553 -11.467 -4.284 1.00 72.54 H new ATOM 0 HA2 GLY A 35 -3.105 -11.127 -5.858 1.00 55.22 H new ATOM 0 HA3 GLY A 35 -4.376 -9.955 -5.573 1.00 55.22 H new ATOM 488 N ALA A 36 -1.726 -9.867 -4.211 1.00 15.21 N ATOM 489 CA ALA A 36 -0.901 -9.082 -3.294 1.00 63.35 C ATOM 490 C ALA A 36 -1.338 -7.615 -3.368 1.00 22.23 C ATOM 491 O ALA A 36 -2.004 -7.230 -4.333 1.00 63.32 O ATOM 492 CB ALA A 36 0.583 -9.243 -3.645 1.00 63.44 C ATOM 0 H ALA A 36 -1.246 -10.159 -5.062 1.00 15.21 H new ATOM 0 HA ALA A 36 -1.035 -9.438 -2.273 1.00 63.35 H new ATOM 0 HB1 ALA A 36 1.186 -8.653 -2.955 1.00 63.44 H new ATOM 0 HB2 ALA A 36 0.864 -10.293 -3.566 1.00 63.44 H new ATOM 0 HB3 ALA A 36 0.755 -8.897 -4.664 1.00 63.44 H new ATOM 498 N VAL A 37 -0.943 -6.772 -2.413 1.00 63.44 N ATOM 499 CA VAL A 37 -1.321 -5.359 -2.403 1.00 15.42 C ATOM 500 C VAL A 37 -0.104 -4.515 -2.042 1.00 24.10 C ATOM 501 O VAL A 37 0.629 -4.847 -1.110 1.00 21.32 O ATOM 502 CB VAL A 37 -2.483 -5.118 -1.410 1.00 13.34 C ATOM 503 CG1 VAL A 37 -3.008 -3.673 -1.462 1.00 60.25 C ATOM 504 CG2 VAL A 37 -3.681 -6.040 -1.648 1.00 73.35 C ATOM 0 H VAL A 37 -0.354 -7.049 -1.627 1.00 63.44 H new ATOM 0 HA VAL A 37 -1.669 -5.067 -3.394 1.00 15.42 H new ATOM 0 HB VAL A 37 -2.045 -5.331 -0.435 1.00 13.34 H new ATOM 0 HG11 VAL A 37 -3.822 -3.556 -0.747 1.00 60.25 H new ATOM 0 HG12 VAL A 37 -2.202 -2.984 -1.210 1.00 60.25 H new ATOM 0 HG13 VAL A 37 -3.372 -3.454 -2.466 1.00 60.25 H new ATOM 0 HG21 VAL A 37 -4.460 -5.820 -0.919 1.00 73.35 H new ATOM 0 HG22 VAL A 37 -4.069 -5.880 -2.654 1.00 73.35 H new ATOM 0 HG23 VAL A 37 -3.368 -7.079 -1.541 1.00 73.35 H new ATOM 514 N LEU A 38 0.087 -3.402 -2.750 1.00 3.42 N ATOM 515 CA LEU A 38 0.930 -2.291 -2.354 1.00 63.30 C ATOM 516 C LEU A 38 0.052 -1.196 -1.805 1.00 20.24 C ATOM 517 O LEU A 38 -1.057 -0.974 -2.292 1.00 52.30 O ATOM 518 CB LEU A 38 1.678 -1.756 -3.580 1.00 22.35 C ATOM 519 CG LEU A 38 2.995 -2.487 -3.849 1.00 62.53 C ATOM 520 CD1 LEU A 38 2.976 -3.973 -3.532 1.00 64.10 C ATOM 521 CD2 LEU A 38 3.424 -2.219 -5.284 1.00 13.21 C ATOM 0 H LEU A 38 -0.364 -3.251 -3.652 1.00 3.42 H new ATOM 0 HA LEU A 38 1.647 -2.619 -1.602 1.00 63.30 H new ATOM 0 HB2 LEU A 38 1.036 -1.844 -4.456 1.00 22.35 H new ATOM 0 HB3 LEU A 38 1.881 -0.694 -3.439 1.00 22.35 H new ATOM 0 HG LEU A 38 3.731 -2.084 -3.154 1.00 62.53 H new ATOM 0 HD11 LEU A 38 3.952 -4.405 -3.754 1.00 64.10 H new ATOM 0 HD12 LEU A 38 2.748 -4.117 -2.476 1.00 64.10 H new ATOM 0 HD13 LEU A 38 2.215 -4.465 -4.138 1.00 64.10 H new ATOM 0 HD21 LEU A 38 4.362 -2.736 -5.486 1.00 13.21 H new ATOM 0 HD22 LEU A 38 2.656 -2.581 -5.967 1.00 13.21 H new ATOM 0 HD23 LEU A 38 3.562 -1.147 -5.428 1.00 13.21 H new ATOM 532 N VAL A 39 0.593 -0.472 -0.836 1.00 32.42 N ATOM 533 CA VAL A 39 -0.016 0.715 -0.274 1.00 12.13 C ATOM 534 C VAL A 39 1.074 1.772 -0.308 1.00 62.11 C ATOM 535 O VAL A 39 2.096 1.642 0.364 1.00 13.21 O ATOM 536 CB VAL A 39 -0.594 0.415 1.121 1.00 11.33 C ATOM 537 CG1 VAL A 39 -1.151 1.691 1.760 1.00 3.54 C ATOM 538 CG2 VAL A 39 -1.711 -0.638 1.005 1.00 53.20 C ATOM 0 H VAL A 39 1.491 -0.704 -0.411 1.00 32.42 H new ATOM 0 HA VAL A 39 -0.879 1.076 -0.834 1.00 12.13 H new ATOM 0 HB VAL A 39 0.206 0.030 1.753 1.00 11.33 H new ATOM 0 HG11 VAL A 39 -1.555 1.458 2.745 1.00 3.54 H new ATOM 0 HG12 VAL A 39 -0.353 2.426 1.860 1.00 3.54 H new ATOM 0 HG13 VAL A 39 -1.942 2.098 1.130 1.00 3.54 H new ATOM 0 HG21 VAL A 39 -2.118 -0.848 1.994 1.00 53.20 H new ATOM 0 HG22 VAL A 39 -2.503 -0.258 0.360 1.00 53.20 H new ATOM 0 HG23 VAL A 39 -1.304 -1.555 0.578 1.00 53.20 H new ATOM 548 N LYS A 40 0.920 2.775 -1.161 1.00 74.41 N ATOM 549 CA LYS A 40 1.936 3.790 -1.399 1.00 61.00 C ATOM 550 C LYS A 40 1.356 5.092 -0.855 1.00 14.54 C ATOM 551 O LYS A 40 0.228 5.444 -1.203 1.00 25.13 O ATOM 552 CB LYS A 40 2.217 3.783 -2.903 1.00 33.44 C ATOM 553 CG LYS A 40 3.175 4.847 -3.441 1.00 63.13 C ATOM 554 CD LYS A 40 2.491 6.195 -3.687 1.00 14.14 C ATOM 555 CE LYS A 40 3.257 6.945 -4.773 1.00 0.14 C ATOM 556 NZ LYS A 40 2.940 6.424 -6.126 1.00 12.33 N ATOM 0 H LYS A 40 0.074 2.908 -1.715 1.00 74.41 H new ATOM 0 HA LYS A 40 2.893 3.628 -0.904 1.00 61.00 H new ATOM 0 HB2 LYS A 40 2.617 2.804 -3.167 1.00 33.44 H new ATOM 0 HB3 LYS A 40 1.266 3.890 -3.425 1.00 33.44 H new ATOM 0 HG2 LYS A 40 3.993 4.984 -2.733 1.00 63.13 H new ATOM 0 HG3 LYS A 40 3.616 4.494 -4.373 1.00 63.13 H new ATOM 0 HD2 LYS A 40 1.456 6.043 -3.992 1.00 14.14 H new ATOM 0 HD3 LYS A 40 2.469 6.780 -2.768 1.00 14.14 H new ATOM 0 HE2 LYS A 40 3.012 8.006 -4.725 1.00 0.14 H new ATOM 0 HE3 LYS A 40 4.328 6.857 -4.590 1.00 0.14 H new ATOM 0 HZ1 LYS A 40 3.823 6.199 -6.627 1.00 12.33 H new ATOM 0 HZ2 LYS A 40 2.362 5.564 -6.040 1.00 12.33 H new ATOM 0 HZ3 LYS A 40 2.413 7.144 -6.660 1.00 12.33 H new ATOM 566 N ALA A 41 2.086 5.786 0.018 1.00 2.25 N ATOM 567 CA ALA A 41 1.592 6.917 0.793 1.00 0.44 C ATOM 568 C ALA A 41 2.517 8.106 0.553 1.00 3.23 C ATOM 569 O ALA A 41 3.633 8.117 1.075 1.00 2.45 O ATOM 570 CB ALA A 41 1.526 6.546 2.284 1.00 71.03 C ATOM 0 H ALA A 41 3.064 5.568 0.209 1.00 2.25 H new ATOM 0 HA ALA A 41 0.583 7.183 0.479 1.00 0.44 H new ATOM 0 HB1 ALA A 41 1.156 7.398 2.855 1.00 71.03 H new ATOM 0 HB2 ALA A 41 0.853 5.699 2.419 1.00 71.03 H new ATOM 0 HB3 ALA A 41 2.522 6.278 2.637 1.00 71.03 H new ATOM 576 N VAL A 42 2.108 9.094 -0.244 1.00 12.42 N ATOM 577 CA VAL A 42 2.970 10.252 -0.487 1.00 0.21 C ATOM 578 C VAL A 42 3.014 11.072 0.823 1.00 0.55 C ATOM 579 O VAL A 42 2.175 10.880 1.715 1.00 52.14 O ATOM 580 CB VAL A 42 2.471 11.076 -1.696 1.00 51.41 C ATOM 581 CG1 VAL A 42 1.435 12.130 -1.315 1.00 51.51 C ATOM 582 CG2 VAL A 42 3.607 11.664 -2.533 1.00 32.03 C ATOM 0 H VAL A 42 1.207 9.118 -0.722 1.00 12.42 H new ATOM 0 HA VAL A 42 3.980 9.940 -0.752 1.00 0.21 H new ATOM 0 HB VAL A 42 1.959 10.358 -2.337 1.00 51.41 H new ATOM 0 HG11 VAL A 42 1.125 12.674 -2.207 1.00 51.51 H new ATOM 0 HG12 VAL A 42 0.569 11.643 -0.867 1.00 51.51 H new ATOM 0 HG13 VAL A 42 1.871 12.826 -0.598 1.00 51.51 H new ATOM 0 HG21 VAL A 42 3.190 12.231 -3.366 1.00 32.03 H new ATOM 0 HG22 VAL A 42 4.212 12.324 -1.912 1.00 32.03 H new ATOM 0 HG23 VAL A 42 4.230 10.857 -2.919 1.00 32.03 H new ATOM 592 N ASP A 43 3.946 12.011 0.957 1.00 71.23 N ATOM 593 CA ASP A 43 3.921 13.019 2.005 1.00 4.53 C ATOM 594 C ASP A 43 4.157 14.413 1.444 1.00 35.34 C ATOM 595 O ASP A 43 5.265 14.954 1.499 1.00 20.45 O ATOM 596 CB ASP A 43 4.931 12.731 3.113 1.00 34.01 C ATOM 597 CG ASP A 43 4.518 13.470 4.385 1.00 74.31 C ATOM 598 OD1 ASP A 43 3.667 14.392 4.309 1.00 64.00 O ATOM 599 OD2 ASP A 43 4.988 13.035 5.462 1.00 1.55 O ATOM 0 H ASP A 43 4.748 12.092 0.332 1.00 71.23 H new ATOM 0 HA ASP A 43 2.923 12.977 2.440 1.00 4.53 H new ATOM 0 HB2 ASP A 43 4.982 11.659 3.303 1.00 34.01 H new ATOM 0 HB3 ASP A 43 5.927 13.048 2.803 1.00 34.01 H new ATOM 603 N ARG A 44 3.104 15.056 0.935 1.00 73.30 N ATOM 604 CA ARG A 44 3.253 16.423 0.437 1.00 44.44 C ATOM 605 C ARG A 44 3.609 17.424 1.542 1.00 73.33 C ATOM 606 O ARG A 44 3.940 18.561 1.201 1.00 31.31 O ATOM 607 CB ARG A 44 2.004 16.873 -0.336 1.00 3.35 C ATOM 608 CG ARG A 44 1.796 16.075 -1.633 1.00 10.45 C ATOM 609 CD ARG A 44 2.857 16.310 -2.713 1.00 52.40 C ATOM 610 NE ARG A 44 2.712 17.638 -3.330 1.00 32.13 N ATOM 611 CZ ARG A 44 3.140 17.965 -4.552 1.00 4.25 C ATOM 612 NH1 ARG A 44 3.829 17.101 -5.281 1.00 21.35 N ATOM 613 NH2 ARG A 44 2.861 19.157 -5.064 1.00 62.44 N ATOM 0 H ARG A 44 2.165 14.666 0.858 1.00 73.30 H new ATOM 0 HA ARG A 44 4.097 16.409 -0.253 1.00 44.44 H new ATOM 0 HB2 ARG A 44 1.126 16.761 0.301 1.00 3.35 H new ATOM 0 HB3 ARG A 44 2.091 17.933 -0.575 1.00 3.35 H new ATOM 0 HG2 ARG A 44 1.776 15.013 -1.389 1.00 10.45 H new ATOM 0 HG3 ARG A 44 0.818 16.326 -2.044 1.00 10.45 H new ATOM 0 HD2 ARG A 44 3.851 16.218 -2.275 1.00 52.40 H new ATOM 0 HD3 ARG A 44 2.774 15.540 -3.480 1.00 52.40 H new ATOM 0 HE ARG A 44 2.249 18.364 -2.783 1.00 32.13 H new ATOM 0 HH11 ARG A 44 4.038 16.174 -4.911 1.00 21.35 H new ATOM 0 HH12 ARG A 44 4.151 17.362 -6.213 1.00 21.35 H new ATOM 0 HH21 ARG A 44 2.317 19.829 -4.524 1.00 62.44 H new ATOM 0 HH22 ARG A 44 3.191 19.401 -5.998 1.00 62.44 H new ATOM 624 N ARG A 45 3.578 17.055 2.834 1.00 11.11 N ATOM 625 CA ARG A 45 3.961 17.988 3.891 1.00 24.05 C ATOM 626 C ARG A 45 5.454 18.275 3.757 1.00 31.31 C ATOM 627 O ARG A 45 5.850 19.435 3.770 1.00 20.24 O ATOM 628 CB ARG A 45 3.519 17.475 5.273 1.00 23.45 C ATOM 629 CG ARG A 45 4.554 16.723 6.104 1.00 52.40 C ATOM 630 CD ARG A 45 3.887 15.990 7.270 1.00 75.42 C ATOM 631 NE ARG A 45 4.900 15.539 8.232 1.00 54.42 N ATOM 632 CZ ARG A 45 4.694 14.869 9.369 1.00 20.15 C ATOM 633 NH1 ARG A 45 3.474 14.533 9.774 1.00 1.41 N ATOM 634 NH2 ARG A 45 5.750 14.540 10.099 1.00 55.42 N ATOM 0 H ARG A 45 3.296 16.131 3.162 1.00 11.11 H new ATOM 0 HA ARG A 45 3.440 18.940 3.786 1.00 24.05 H new ATOM 0 HB2 ARG A 45 3.175 18.329 5.856 1.00 23.45 H new ATOM 0 HB3 ARG A 45 2.660 16.819 5.131 1.00 23.45 H new ATOM 0 HG2 ARG A 45 5.083 16.008 5.474 1.00 52.40 H new ATOM 0 HG3 ARG A 45 5.298 17.422 6.486 1.00 52.40 H new ATOM 0 HD2 ARG A 45 3.174 16.650 7.764 1.00 75.42 H new ATOM 0 HD3 ARG A 45 3.323 15.135 6.897 1.00 75.42 H new ATOM 0 HE ARG A 45 5.870 15.762 8.007 1.00 54.42 H new ATOM 0 HH11 ARG A 45 2.662 14.787 9.211 1.00 1.41 H new ATOM 0 HH12 ARG A 45 3.350 14.021 10.647 1.00 1.41 H new ATOM 0 HH21 ARG A 45 6.686 14.799 9.787 1.00 55.42 H new ATOM 0 HH22 ARG A 45 5.627 14.028 10.973 1.00 55.42 H new ATOM 645 N GLU A 46 6.267 17.242 3.532 1.00 51.43 N ATOM 646 CA GLU A 46 7.716 17.377 3.365 1.00 64.22 C ATOM 647 C GLU A 46 8.109 17.336 1.883 1.00 0.32 C ATOM 648 O GLU A 46 9.219 17.715 1.513 1.00 52.13 O ATOM 649 CB GLU A 46 8.441 16.281 4.160 1.00 21.44 C ATOM 650 CG GLU A 46 8.083 16.278 5.656 1.00 75.10 C ATOM 651 CD GLU A 46 9.279 16.395 6.603 1.00 1.44 C ATOM 652 OE1 GLU A 46 10.188 15.532 6.578 1.00 35.15 O ATOM 653 OE2 GLU A 46 9.239 17.312 7.461 1.00 12.41 O ATOM 0 H GLU A 46 5.936 16.280 3.460 1.00 51.43 H new ATOM 0 HA GLU A 46 8.020 18.348 3.755 1.00 64.22 H new ATOM 0 HB2 GLU A 46 8.195 15.309 3.733 1.00 21.44 H new ATOM 0 HB3 GLU A 46 9.517 16.414 4.051 1.00 21.44 H new ATOM 0 HG2 GLU A 46 7.399 17.104 5.853 1.00 75.10 H new ATOM 0 HG3 GLU A 46 7.545 15.358 5.885 1.00 75.10 H new ATOM 658 N GLY A 47 7.193 16.909 1.012 1.00 22.15 N ATOM 659 CA GLY A 47 7.444 16.683 -0.400 1.00 53.53 C ATOM 660 C GLY A 47 8.084 15.318 -0.658 1.00 13.13 C ATOM 661 O GLY A 47 8.626 15.123 -1.748 1.00 31.45 O ATOM 0 H GLY A 47 6.231 16.707 1.284 1.00 22.15 H new ATOM 0 HA2 GLY A 47 6.506 16.753 -0.951 1.00 53.53 H new ATOM 0 HA3 GLY A 47 8.097 17.468 -0.782 1.00 53.53 H new ATOM 665 N THR A 48 8.061 14.398 0.306 1.00 43.22 N ATOM 666 CA THR A 48 8.581 13.042 0.169 1.00 60.12 C ATOM 667 C THR A 48 7.474 12.069 -0.249 1.00 71.41 C ATOM 668 O THR A 48 6.313 12.455 -0.390 1.00 72.33 O ATOM 669 CB THR A 48 9.269 12.619 1.485 1.00 11.35 C ATOM 670 OG1 THR A 48 8.584 13.084 2.638 1.00 55.12 O ATOM 671 CG2 THR A 48 10.698 13.162 1.495 1.00 54.13 C ATOM 0 H THR A 48 7.669 14.583 1.229 1.00 43.22 H new ATOM 0 HA THR A 48 9.328 13.018 -0.625 1.00 60.12 H new ATOM 0 HB THR A 48 9.261 11.530 1.523 1.00 11.35 H new ATOM 0 HG1 THR A 48 9.059 12.788 3.442 1.00 55.12 H new ATOM 0 HG21 THR A 48 11.192 12.868 2.421 1.00 54.13 H new ATOM 0 HG22 THR A 48 11.247 12.756 0.646 1.00 54.13 H new ATOM 0 HG23 THR A 48 10.674 14.250 1.425 1.00 54.13 H new ATOM 679 N ALA A 49 7.815 10.790 -0.419 1.00 34.04 N ATOM 680 CA ALA A 49 6.885 9.690 -0.597 1.00 71.02 C ATOM 681 C ALA A 49 7.325 8.484 0.245 1.00 33.15 C ATOM 682 O ALA A 49 8.493 8.366 0.632 1.00 23.23 O ATOM 683 CB ALA A 49 6.787 9.358 -2.093 1.00 4.25 C ATOM 0 H ALA A 49 8.789 10.487 -0.436 1.00 34.04 H new ATOM 0 HA ALA A 49 5.891 9.971 -0.248 1.00 71.02 H new ATOM 0 HB1 ALA A 49 6.090 8.532 -2.238 1.00 4.25 H new ATOM 0 HB2 ALA A 49 6.431 10.233 -2.637 1.00 4.25 H new ATOM 0 HB3 ALA A 49 7.770 9.073 -2.468 1.00 4.25 H new ATOM 689 N ARG A 50 6.390 7.569 0.509 1.00 73.42 N ATOM 690 CA ARG A 50 6.580 6.297 1.208 1.00 2.32 C ATOM 691 C ARG A 50 5.908 5.204 0.399 1.00 53.50 C ATOM 692 O ARG A 50 4.995 5.480 -0.384 1.00 52.24 O ATOM 693 CB ARG A 50 5.943 6.326 2.610 1.00 31.01 C ATOM 694 CG ARG A 50 6.615 7.257 3.612 1.00 13.32 C ATOM 695 CD ARG A 50 8.068 6.875 3.895 1.00 60.14 C ATOM 696 NE ARG A 50 8.590 7.605 5.056 1.00 61.10 N ATOM 697 CZ ARG A 50 8.653 7.133 6.305 1.00 75.41 C ATOM 698 NH1 ARG A 50 8.196 5.925 6.623 1.00 42.51 N ATOM 699 NH2 ARG A 50 9.179 7.874 7.262 1.00 34.21 N ATOM 0 H ARG A 50 5.421 7.705 0.223 1.00 73.42 H new ATOM 0 HA ARG A 50 7.649 6.116 1.317 1.00 2.32 H new ATOM 0 HB2 ARG A 50 4.898 6.620 2.510 1.00 31.01 H new ATOM 0 HB3 ARG A 50 5.952 5.315 3.016 1.00 31.01 H new ATOM 0 HG2 ARG A 50 6.580 8.278 3.232 1.00 13.32 H new ATOM 0 HG3 ARG A 50 6.053 7.245 4.546 1.00 13.32 H new ATOM 0 HD2 ARG A 50 8.137 5.802 4.075 1.00 60.14 H new ATOM 0 HD3 ARG A 50 8.681 7.091 3.020 1.00 60.14 H new ATOM 0 HE ARG A 50 8.934 8.552 4.897 1.00 61.10 H new ATOM 0 HH11 ARG A 50 7.783 5.330 5.904 1.00 42.51 H new ATOM 0 HH12 ARG A 50 8.258 5.593 7.585 1.00 42.51 H new ATOM 0 HH21 ARG A 50 9.536 8.805 7.048 1.00 34.21 H new ATOM 0 HH22 ARG A 50 9.228 7.516 8.216 1.00 34.21 H new ATOM 710 N LEU A 51 6.315 3.962 0.624 1.00 42.14 N ATOM 711 CA LEU A 51 5.744 2.795 -0.042 1.00 1.12 C ATOM 712 C LEU A 51 5.761 1.608 0.903 1.00 43.13 C ATOM 713 O LEU A 51 6.721 1.431 1.659 1.00 75.02 O ATOM 714 CB LEU A 51 6.510 2.483 -1.343 1.00 74.00 C ATOM 715 CG LEU A 51 5.587 2.113 -2.521 1.00 52.40 C ATOM 716 CD1 LEU A 51 6.362 2.271 -3.817 1.00 40.10 C ATOM 717 CD2 LEU A 51 5.022 0.695 -2.532 1.00 43.50 C ATOM 0 H LEU A 51 7.060 3.732 1.282 1.00 42.14 H new ATOM 0 HA LEU A 51 4.710 3.008 -0.312 1.00 1.12 H new ATOM 0 HB2 LEU A 51 7.111 3.350 -1.619 1.00 74.00 H new ATOM 0 HB3 LEU A 51 7.202 1.661 -1.161 1.00 74.00 H new ATOM 0 HG LEU A 51 4.737 2.786 -2.410 1.00 52.40 H new ATOM 0 HD11 LEU A 51 5.720 2.012 -4.659 1.00 40.10 H new ATOM 0 HD12 LEU A 51 6.694 3.304 -3.919 1.00 40.10 H new ATOM 0 HD13 LEU A 51 7.229 1.610 -3.805 1.00 40.10 H new ATOM 0 HD21 LEU A 51 4.390 0.562 -3.410 1.00 43.50 H new ATOM 0 HD22 LEU A 51 5.842 -0.023 -2.563 1.00 43.50 H new ATOM 0 HD23 LEU A 51 4.430 0.532 -1.631 1.00 43.50 H new ATOM 728 N PHE A 52 4.718 0.788 0.833 1.00 42.21 N ATOM 729 CA PHE A 52 4.569 -0.415 1.641 1.00 74.04 C ATOM 730 C PHE A 52 4.120 -1.559 0.745 1.00 43.51 C ATOM 731 O PHE A 52 3.370 -1.358 -0.214 1.00 33.33 O ATOM 732 CB PHE A 52 3.547 -0.163 2.763 1.00 14.52 C ATOM 733 CG PHE A 52 3.944 0.973 3.687 1.00 31.34 C ATOM 734 CD1 PHE A 52 4.919 0.759 4.678 1.00 20.15 C ATOM 735 CD2 PHE A 52 3.411 2.266 3.500 1.00 3.55 C ATOM 736 CE1 PHE A 52 5.374 1.836 5.455 1.00 31.44 C ATOM 737 CE2 PHE A 52 3.874 3.343 4.275 1.00 55.42 C ATOM 738 CZ PHE A 52 4.871 3.131 5.243 1.00 21.34 C ATOM 0 H PHE A 52 3.935 0.946 0.198 1.00 42.21 H new ATOM 0 HA PHE A 52 5.521 -0.679 2.101 1.00 74.04 H new ATOM 0 HB2 PHE A 52 2.577 0.060 2.319 1.00 14.52 H new ATOM 0 HB3 PHE A 52 3.427 -1.075 3.349 1.00 14.52 H new ATOM 0 HD1 PHE A 52 5.317 -0.232 4.841 1.00 20.15 H new ATOM 0 HD2 PHE A 52 2.644 2.429 2.758 1.00 3.55 H new ATOM 0 HE1 PHE A 52 6.116 1.668 6.221 1.00 31.44 H new ATOM 0 HE2 PHE A 52 3.465 4.331 4.127 1.00 55.42 H new ATOM 0 HZ PHE A 52 5.249 3.961 5.822 1.00 21.34 H new ATOM 747 N SER A 53 4.540 -2.772 1.088 1.00 13.03 N ATOM 748 CA SER A 53 4.044 -4.004 0.505 1.00 3.31 C ATOM 749 C SER A 53 3.872 -4.991 1.655 1.00 61.40 C ATOM 750 O SER A 53 4.495 -4.842 2.715 1.00 75.53 O ATOM 751 CB SER A 53 5.018 -4.493 -0.574 1.00 71.34 C ATOM 752 OG SER A 53 4.541 -5.661 -1.207 1.00 0.13 O ATOM 0 H SER A 53 5.255 -2.925 1.799 1.00 13.03 H new ATOM 0 HA SER A 53 3.085 -3.875 0.003 1.00 3.31 H new ATOM 0 HB2 SER A 53 5.164 -3.709 -1.317 1.00 71.34 H new ATOM 0 HB3 SER A 53 5.991 -4.692 -0.125 1.00 71.34 H new ATOM 0 HG SER A 53 5.286 -6.124 -1.644 1.00 0.13 H new ATOM 757 N GLU A 54 2.986 -5.960 1.455 1.00 32.30 N ATOM 758 CA GLU A 54 2.656 -6.971 2.440 1.00 54.45 C ATOM 759 C GLU A 54 3.876 -7.848 2.744 1.00 24.20 C ATOM 760 O GLU A 54 4.834 -7.905 1.968 1.00 44.35 O ATOM 761 CB GLU A 54 1.456 -7.790 1.948 1.00 1.03 C ATOM 762 CG GLU A 54 1.784 -8.643 0.712 1.00 71.55 C ATOM 763 CD GLU A 54 0.735 -9.723 0.486 1.00 64.22 C ATOM 764 OE1 GLU A 54 -0.363 -9.388 -0.003 1.00 1.11 O ATOM 765 OE2 GLU A 54 1.004 -10.905 0.814 1.00 63.31 O ATOM 0 H GLU A 54 2.468 -6.063 0.582 1.00 32.30 H new ATOM 0 HA GLU A 54 2.374 -6.493 3.378 1.00 54.45 H new ATOM 0 HB2 GLU A 54 1.112 -8.441 2.752 1.00 1.03 H new ATOM 0 HB3 GLU A 54 0.634 -7.115 1.710 1.00 1.03 H new ATOM 0 HG2 GLU A 54 1.844 -8.003 -0.168 1.00 71.55 H new ATOM 0 HG3 GLU A 54 2.763 -9.106 0.837 1.00 71.55 H new ATOM 770 N ALA A 55 3.840 -8.554 3.868 1.00 61.35 N ATOM 771 CA ALA A 55 4.835 -9.533 4.266 1.00 73.35 C ATOM 772 C ALA A 55 4.204 -10.459 5.297 1.00 14.13 C ATOM 773 O ALA A 55 3.240 -10.070 5.953 1.00 62.55 O ATOM 774 CB ALA A 55 6.011 -8.792 4.899 1.00 44.11 C ATOM 0 H ALA A 55 3.088 -8.454 4.550 1.00 61.35 H new ATOM 0 HA ALA A 55 5.181 -10.111 3.409 1.00 73.35 H new ATOM 0 HB1 ALA A 55 6.771 -9.510 5.206 1.00 44.11 H new ATOM 0 HB2 ALA A 55 6.438 -8.100 4.173 1.00 44.11 H new ATOM 0 HB3 ALA A 55 5.664 -8.236 5.770 1.00 44.11 H new ATOM 780 N THR A 56 4.773 -11.642 5.504 1.00 63.51 N ATOM 781 CA THR A 56 4.296 -12.618 6.475 1.00 1.42 C ATOM 782 C THR A 56 5.486 -13.208 7.212 1.00 73.12 C ATOM 783 O THR A 56 6.497 -13.547 6.586 1.00 72.32 O ATOM 784 CB THR A 56 3.473 -13.738 5.810 1.00 72.42 C ATOM 785 OG1 THR A 56 3.787 -13.915 4.432 1.00 74.13 O ATOM 786 CG2 THR A 56 1.972 -13.480 5.920 1.00 33.41 C ATOM 0 H THR A 56 5.596 -11.955 4.990 1.00 63.51 H new ATOM 0 HA THR A 56 3.636 -12.108 7.177 1.00 1.42 H new ATOM 0 HB THR A 56 3.741 -14.644 6.354 1.00 72.42 H new ATOM 0 HG1 THR A 56 3.238 -14.637 4.062 1.00 74.13 H new ATOM 0 HG21 THR A 56 1.427 -14.292 5.439 1.00 33.41 H new ATOM 0 HG22 THR A 56 1.688 -13.425 6.971 1.00 33.41 H new ATOM 0 HG23 THR A 56 1.728 -12.538 5.429 1.00 33.41 H new ATOM 794 N ARG A 57 5.389 -13.336 8.538 1.00 53.33 N ATOM 795 CA ARG A 57 6.423 -14.005 9.326 1.00 51.23 C ATOM 796 C ARG A 57 6.301 -15.521 9.233 1.00 0.12 C ATOM 797 O ARG A 57 5.354 -16.032 8.630 1.00 35.34 O ATOM 798 CB ARG A 57 6.476 -13.468 10.766 1.00 61.45 C ATOM 799 CG ARG A 57 5.185 -13.569 11.573 1.00 44.44 C ATOM 800 CD ARG A 57 5.392 -13.725 13.089 1.00 61.52 C ATOM 801 NE ARG A 57 6.102 -12.608 13.747 1.00 23.14 N ATOM 802 CZ ARG A 57 6.203 -12.463 15.078 1.00 51.23 C ATOM 803 NH1 ARG A 57 5.695 -13.376 15.898 1.00 64.43 N ATOM 804 NH2 ARG A 57 6.803 -11.406 15.610 1.00 23.53 N ATOM 0 H ARG A 57 4.604 -12.985 9.087 1.00 53.33 H new ATOM 0 HA ARG A 57 7.393 -13.763 8.892 1.00 51.23 H new ATOM 0 HB2 ARG A 57 7.258 -14.005 11.303 1.00 61.45 H new ATOM 0 HB3 ARG A 57 6.776 -12.421 10.730 1.00 61.45 H new ATOM 0 HG2 ARG A 57 4.586 -12.676 11.391 1.00 44.44 H new ATOM 0 HG3 ARG A 57 4.609 -14.419 11.208 1.00 44.44 H new ATOM 0 HD2 ARG A 57 4.417 -13.843 13.562 1.00 61.52 H new ATOM 0 HD3 ARG A 57 5.948 -14.645 13.271 1.00 61.52 H new ATOM 0 HE ARG A 57 6.542 -11.904 13.154 1.00 23.14 H new ATOM 0 HH11 ARG A 57 5.223 -14.197 15.518 1.00 64.43 H new ATOM 0 HH12 ARG A 57 5.777 -13.257 16.908 1.00 64.43 H new ATOM 0 HH21 ARG A 57 7.198 -10.686 15.005 1.00 23.53 H new ATOM 0 HH22 ARG A 57 6.870 -11.314 16.624 1.00 23.53 H new ATOM 815 N GLY A 58 7.221 -16.240 9.872 1.00 72.33 N ATOM 816 CA GLY A 58 7.190 -17.688 10.008 1.00 73.21 C ATOM 817 C GLY A 58 5.852 -18.184 10.544 1.00 52.44 C ATOM 818 O GLY A 58 5.397 -19.244 10.134 1.00 24.42 O ATOM 0 H GLY A 58 8.032 -15.815 10.322 1.00 72.33 H new ATOM 0 HA2 GLY A 58 7.385 -18.147 9.039 1.00 73.21 H new ATOM 0 HA3 GLY A 58 7.989 -18.006 10.678 1.00 73.21 H new ATOM 822 N ASP A 59 5.191 -17.423 11.417 1.00 51.14 N ATOM 823 CA ASP A 59 3.877 -17.787 11.964 1.00 12.33 C ATOM 824 C ASP A 59 2.718 -17.605 10.969 1.00 54.11 C ATOM 825 O ASP A 59 1.568 -17.930 11.270 1.00 3.22 O ATOM 826 CB ASP A 59 3.593 -16.961 13.223 1.00 1.04 C ATOM 827 CG ASP A 59 3.059 -17.832 14.356 1.00 42.31 C ATOM 828 OD1 ASP A 59 2.324 -18.809 14.098 1.00 21.14 O ATOM 829 OD2 ASP A 59 3.460 -17.578 15.514 1.00 71.55 O ATOM 0 H ASP A 59 5.550 -16.535 11.767 1.00 51.14 H new ATOM 0 HA ASP A 59 3.929 -18.851 12.196 1.00 12.33 H new ATOM 0 HB2 ASP A 59 4.507 -16.463 13.546 1.00 1.04 H new ATOM 0 HB3 ASP A 59 2.869 -16.180 12.991 1.00 1.04 H new ATOM 833 N GLY A 60 3.009 -17.035 9.798 1.00 4.31 N ATOM 834 CA GLY A 60 2.041 -16.533 8.835 1.00 55.13 C ATOM 835 C GLY A 60 1.430 -15.205 9.276 1.00 0.20 C ATOM 836 O GLY A 60 0.439 -14.792 8.682 1.00 2.33 O ATOM 0 H GLY A 60 3.972 -16.907 9.486 1.00 4.31 H new ATOM 0 HA2 GLY A 60 2.526 -16.405 7.867 1.00 55.13 H new ATOM 0 HA3 GLY A 60 1.249 -17.269 8.700 1.00 55.13 H new ATOM 840 N GLU A 61 1.976 -14.527 10.295 1.00 63.21 N ATOM 841 CA GLU A 61 1.374 -13.298 10.790 1.00 53.21 C ATOM 842 C GLU A 61 1.748 -12.196 9.798 1.00 0.04 C ATOM 843 O GLU A 61 2.927 -12.096 9.441 1.00 55.33 O ATOM 844 CB GLU A 61 1.873 -12.996 12.215 1.00 61.34 C ATOM 845 CG GLU A 61 0.810 -12.306 13.055 1.00 52.32 C ATOM 846 CD GLU A 61 -0.249 -13.280 13.570 1.00 22.10 C ATOM 847 OE1 GLU A 61 -0.082 -13.816 14.689 1.00 51.12 O ATOM 848 OE2 GLU A 61 -1.310 -13.404 12.912 1.00 24.10 O ATOM 0 H GLU A 61 2.825 -14.811 10.783 1.00 63.21 H new ATOM 0 HA GLU A 61 0.289 -13.378 10.860 1.00 53.21 H new ATOM 0 HB2 GLU A 61 2.171 -13.926 12.700 1.00 61.34 H new ATOM 0 HB3 GLU A 61 2.760 -12.365 12.163 1.00 61.34 H new ATOM 0 HG2 GLU A 61 1.285 -11.810 13.901 1.00 52.32 H new ATOM 0 HG3 GLU A 61 0.328 -11.530 12.460 1.00 52.32 H new ATOM 853 N ARG A 62 0.769 -11.440 9.289 1.00 62.25 N ATOM 854 CA ARG A 62 0.977 -10.527 8.163 1.00 41.21 C ATOM 855 C ARG A 62 1.189 -9.095 8.648 1.00 15.11 C ATOM 856 O ARG A 62 0.600 -8.685 9.652 1.00 41.44 O ATOM 857 CB ARG A 62 -0.200 -10.665 7.187 1.00 73.23 C ATOM 858 CG ARG A 62 -0.067 -9.865 5.882 1.00 0.44 C ATOM 859 CD ARG A 62 -1.081 -10.338 4.833 1.00 23.24 C ATOM 860 NE ARG A 62 -1.860 -9.219 4.301 1.00 11.13 N ATOM 861 CZ ARG A 62 -3.088 -9.288 3.787 1.00 24.13 C ATOM 862 NH1 ARG A 62 -3.652 -10.461 3.523 1.00 60.24 N ATOM 863 NH2 ARG A 62 -3.741 -8.154 3.569 1.00 13.40 N ATOM 0 H ARG A 62 -0.187 -11.445 9.646 1.00 62.25 H new ATOM 0 HA ARG A 62 1.889 -10.793 7.629 1.00 41.21 H new ATOM 0 HB2 ARG A 62 -0.322 -11.719 6.937 1.00 73.23 H new ATOM 0 HB3 ARG A 62 -1.111 -10.350 7.696 1.00 73.23 H new ATOM 0 HG2 ARG A 62 -0.219 -8.805 6.086 1.00 0.44 H new ATOM 0 HG3 ARG A 62 0.944 -9.972 5.488 1.00 0.44 H new ATOM 0 HD2 ARG A 62 -0.558 -10.839 4.019 1.00 23.24 H new ATOM 0 HD3 ARG A 62 -1.753 -11.072 5.279 1.00 23.24 H new ATOM 0 HE ARG A 62 -1.421 -8.298 4.326 1.00 11.13 H new ATOM 0 HH11 ARG A 62 -3.145 -11.325 3.714 1.00 60.24 H new ATOM 0 HH12 ARG A 62 -4.592 -10.498 3.130 1.00 60.24 H new ATOM 0 HH21 ARG A 62 -3.302 -7.261 3.794 1.00 13.40 H new ATOM 0 HH22 ARG A 62 -4.682 -8.175 3.177 1.00 13.40 H new ATOM 874 N PHE A 63 2.014 -8.338 7.921 1.00 53.23 N ATOM 875 CA PHE A 63 2.457 -6.989 8.242 1.00 15.24 C ATOM 876 C PHE A 63 2.740 -6.214 6.954 1.00 20.24 C ATOM 877 O PHE A 63 2.646 -6.770 5.857 1.00 31.11 O ATOM 878 CB PHE A 63 3.692 -7.037 9.159 1.00 40.35 C ATOM 879 CG PHE A 63 4.936 -7.755 8.646 1.00 13.24 C ATOM 880 CD1 PHE A 63 5.005 -9.162 8.710 1.00 23.32 C ATOM 881 CD2 PHE A 63 6.082 -7.029 8.246 1.00 32.22 C ATOM 882 CE1 PHE A 63 6.212 -9.830 8.444 1.00 1.14 C ATOM 883 CE2 PHE A 63 7.288 -7.710 7.997 1.00 73.25 C ATOM 884 CZ PHE A 63 7.360 -9.105 8.100 1.00 15.32 C ATOM 0 H PHE A 63 2.411 -8.674 7.043 1.00 53.23 H new ATOM 0 HA PHE A 63 1.667 -6.467 8.782 1.00 15.24 H new ATOM 0 HB2 PHE A 63 3.972 -6.011 9.396 1.00 40.35 H new ATOM 0 HB3 PHE A 63 3.395 -7.510 10.095 1.00 40.35 H new ATOM 0 HD1 PHE A 63 4.123 -9.731 8.966 1.00 23.32 H new ATOM 0 HD2 PHE A 63 6.032 -5.956 8.132 1.00 32.22 H new ATOM 0 HE1 PHE A 63 6.255 -10.907 8.505 1.00 1.14 H new ATOM 0 HE2 PHE A 63 8.170 -7.150 7.723 1.00 73.25 H new ATOM 0 HZ PHE A 63 8.293 -9.617 7.916 1.00 15.32 H new ATOM 893 N TRP A 64 3.107 -4.939 7.093 1.00 72.10 N ATOM 894 CA TRP A 64 3.495 -4.053 6.004 1.00 41.24 C ATOM 895 C TRP A 64 4.956 -3.685 6.187 1.00 13.43 C ATOM 896 O TRP A 64 5.271 -2.910 7.088 1.00 21.52 O ATOM 897 CB TRP A 64 2.632 -2.792 6.044 1.00 64.53 C ATOM 898 CG TRP A 64 1.207 -3.028 5.701 1.00 12.23 C ATOM 899 CD1 TRP A 64 0.193 -3.140 6.579 1.00 42.12 C ATOM 900 CD2 TRP A 64 0.632 -3.253 4.390 1.00 31.22 C ATOM 901 NE1 TRP A 64 -0.980 -3.381 5.897 1.00 42.14 N ATOM 902 CE2 TRP A 64 -0.768 -3.458 4.541 1.00 74.54 C ATOM 903 CE3 TRP A 64 1.168 -3.362 3.097 1.00 35.52 C ATOM 904 CZ2 TRP A 64 -1.605 -3.742 3.456 1.00 42.04 C ATOM 905 CZ3 TRP A 64 0.347 -3.696 2.009 1.00 32.52 C ATOM 906 CH2 TRP A 64 -1.035 -3.879 2.182 1.00 55.25 C ATOM 0 H TRP A 64 3.142 -4.482 8.004 1.00 72.10 H new ATOM 0 HA TRP A 64 3.353 -4.547 5.043 1.00 41.24 H new ATOM 0 HB2 TRP A 64 2.688 -2.356 7.042 1.00 64.53 H new ATOM 0 HB3 TRP A 64 3.046 -2.058 5.352 1.00 64.53 H new ATOM 0 HD1 TRP A 64 0.284 -3.054 7.652 1.00 42.12 H new ATOM 0 HE1 TRP A 64 -1.891 -3.489 6.343 1.00 42.14 H new ATOM 0 HE3 TRP A 64 2.222 -3.187 2.938 1.00 35.52 H new ATOM 0 HZ2 TRP A 64 -2.670 -3.854 3.597 1.00 42.04 H new ATOM 0 HZ3 TRP A 64 0.783 -3.814 1.028 1.00 32.52 H new ATOM 0 HH2 TRP A 64 -1.658 -4.125 1.335 1.00 55.25 H new ATOM 916 N MET A 65 5.850 -4.254 5.390 1.00 73.20 N ATOM 917 CA MET A 65 7.255 -3.861 5.432 1.00 22.32 C ATOM 918 C MET A 65 7.626 -2.849 4.350 1.00 21.23 C ATOM 919 O MET A 65 6.790 -2.487 3.512 1.00 60.20 O ATOM 920 CB MET A 65 8.142 -5.096 5.437 1.00 60.42 C ATOM 921 CG MET A 65 8.285 -5.842 4.107 1.00 13.04 C ATOM 922 SD MET A 65 9.121 -7.458 4.166 1.00 32.12 S ATOM 923 CE MET A 65 10.396 -7.153 5.407 1.00 43.40 C ATOM 0 H MET A 65 5.632 -4.983 4.711 1.00 73.20 H new ATOM 0 HA MET A 65 7.429 -3.328 6.367 1.00 22.32 H new ATOM 0 HB2 MET A 65 9.137 -4.800 5.770 1.00 60.42 H new ATOM 0 HB3 MET A 65 7.752 -5.793 6.179 1.00 60.42 H new ATOM 0 HG2 MET A 65 7.289 -5.989 3.690 1.00 13.04 H new ATOM 0 HG3 MET A 65 8.830 -5.201 3.414 1.00 13.04 H new ATOM 0 HE1 MET A 65 11.125 -7.963 5.386 1.00 43.40 H new ATOM 0 HE2 MET A 65 10.896 -6.209 5.191 1.00 43.40 H new ATOM 0 HE3 MET A 65 9.938 -7.103 6.395 1.00 43.40 H new ATOM 931 N GLN A 66 8.892 -2.409 4.354 1.00 33.44 N ATOM 932 CA GLN A 66 9.405 -1.378 3.467 1.00 73.01 C ATOM 933 C GLN A 66 10.529 -1.901 2.538 1.00 60.13 C ATOM 934 O GLN A 66 11.685 -1.506 2.684 1.00 33.05 O ATOM 935 CB GLN A 66 9.821 -0.128 4.278 1.00 33.42 C ATOM 936 CG GLN A 66 8.641 0.667 4.867 1.00 3.53 C ATOM 937 CD GLN A 66 9.036 1.968 5.582 1.00 11.31 C ATOM 938 OE1 GLN A 66 8.464 2.366 6.592 1.00 73.32 O ATOM 939 NE2 GLN A 66 9.919 2.777 5.021 1.00 0.52 N ATOM 0 H GLN A 66 9.598 -2.775 4.993 1.00 33.44 H new ATOM 0 HA GLN A 66 8.600 -1.078 2.796 1.00 73.01 H new ATOM 0 HB2 GLN A 66 10.477 -0.439 5.091 1.00 33.42 H new ATOM 0 HB3 GLN A 66 10.403 0.531 3.634 1.00 33.42 H new ATOM 0 HG2 GLN A 66 7.945 0.907 4.063 1.00 3.53 H new ATOM 0 HG3 GLN A 66 8.107 0.029 5.571 1.00 3.53 H new ATOM 0 HE21 GLN A 66 10.417 2.484 4.180 1.00 0.52 H new ATOM 0 HE22 GLN A 66 10.102 3.694 5.429 1.00 0.52 H new ATOM 946 N PRO A 67 10.215 -2.726 1.519 1.00 51.42 N ATOM 947 CA PRO A 67 11.195 -3.398 0.646 1.00 55.43 C ATOM 948 C PRO A 67 11.943 -2.500 -0.346 1.00 2.45 C ATOM 949 O PRO A 67 12.829 -2.972 -1.058 1.00 75.02 O ATOM 950 CB PRO A 67 10.400 -4.479 -0.095 1.00 71.31 C ATOM 951 CG PRO A 67 9.005 -3.873 -0.157 1.00 43.30 C ATOM 952 CD PRO A 67 8.880 -3.204 1.204 1.00 4.31 C ATOM 0 HA PRO A 67 12.000 -3.787 1.269 1.00 55.43 H new ATOM 0 HB2 PRO A 67 10.804 -4.671 -1.089 1.00 71.31 H new ATOM 0 HB3 PRO A 67 10.407 -5.428 0.441 1.00 71.31 H new ATOM 0 HG2 PRO A 67 8.909 -3.156 -0.973 1.00 43.30 H new ATOM 0 HG3 PRO A 67 8.238 -4.633 -0.308 1.00 43.30 H new ATOM 0 HD2 PRO A 67 8.165 -2.382 1.174 1.00 4.31 H new ATOM 0 HD3 PRO A 67 8.526 -3.908 1.957 1.00 4.31 H new ATOM 957 N VAL A 68 11.628 -1.210 -0.412 1.00 34.02 N ATOM 958 CA VAL A 68 12.359 -0.242 -1.215 1.00 60.34 C ATOM 959 C VAL A 68 13.005 0.748 -0.254 1.00 52.52 C ATOM 960 O VAL A 68 12.389 1.713 0.211 1.00 3.12 O ATOM 961 CB VAL A 68 11.490 0.307 -2.365 1.00 32.42 C ATOM 962 CG1 VAL A 68 10.059 0.682 -1.950 1.00 32.23 C ATOM 963 CG2 VAL A 68 12.201 1.465 -3.079 1.00 61.32 C ATOM 0 H VAL A 68 10.845 -0.804 0.100 1.00 34.02 H new ATOM 0 HA VAL A 68 13.184 -0.680 -1.777 1.00 60.34 H new ATOM 0 HB VAL A 68 11.368 -0.516 -3.070 1.00 32.42 H new ATOM 0 HG11 VAL A 68 9.516 1.059 -2.817 1.00 32.23 H new ATOM 0 HG12 VAL A 68 9.551 -0.199 -1.559 1.00 32.23 H new ATOM 0 HG13 VAL A 68 10.094 1.453 -1.180 1.00 32.23 H new ATOM 0 HG21 VAL A 68 11.570 1.837 -3.886 1.00 61.32 H new ATOM 0 HG22 VAL A 68 12.392 2.269 -2.368 1.00 61.32 H new ATOM 0 HG23 VAL A 68 13.147 1.113 -3.491 1.00 61.32 H new ATOM 973 N ARG A 69 14.256 0.463 0.104 1.00 32.41 N ATOM 974 CA ARG A 69 15.098 1.340 0.908 1.00 1.11 C ATOM 975 C ARG A 69 15.589 2.473 0.013 1.00 53.11 C ATOM 976 O ARG A 69 16.666 2.390 -0.572 1.00 73.43 O ATOM 977 CB ARG A 69 16.245 0.528 1.555 1.00 12.21 C ATOM 978 CG ARG A 69 15.995 0.293 3.052 1.00 74.42 C ATOM 979 CD ARG A 69 16.388 1.520 3.879 1.00 14.15 C ATOM 980 NE ARG A 69 15.773 1.477 5.212 1.00 61.13 N ATOM 981 CZ ARG A 69 15.045 2.429 5.802 1.00 74.00 C ATOM 982 NH1 ARG A 69 14.740 3.537 5.138 1.00 74.24 N ATOM 983 NH2 ARG A 69 14.620 2.261 7.051 1.00 12.35 N ATOM 0 H ARG A 69 14.721 -0.405 -0.164 1.00 32.41 H new ATOM 0 HA ARG A 69 14.541 1.780 1.735 1.00 1.11 H new ATOM 0 HB2 ARG A 69 16.344 -0.431 1.047 1.00 12.21 H new ATOM 0 HB3 ARG A 69 17.188 1.059 1.422 1.00 12.21 H new ATOM 0 HG2 ARG A 69 14.942 0.063 3.216 1.00 74.42 H new ATOM 0 HG3 ARG A 69 16.566 -0.573 3.387 1.00 74.42 H new ATOM 0 HD2 ARG A 69 17.473 1.565 3.977 1.00 14.15 H new ATOM 0 HD3 ARG A 69 16.077 2.427 3.360 1.00 14.15 H new ATOM 0 HE ARG A 69 15.918 0.622 5.749 1.00 61.13 H new ATOM 0 HH11 ARG A 69 15.061 3.661 4.178 1.00 74.24 H new ATOM 0 HH12 ARG A 69 14.184 4.264 5.588 1.00 74.24 H new ATOM 0 HH21 ARG A 69 14.850 1.406 7.557 1.00 12.35 H new ATOM 0 HH22 ARG A 69 14.064 2.987 7.503 1.00 12.35 H new ATOM 994 N SER A 70 14.773 3.509 -0.136 1.00 43.13 N ATOM 995 CA SER A 70 15.121 4.779 -0.741 1.00 73.23 C ATOM 996 C SER A 70 14.070 5.789 -0.283 1.00 13.53 C ATOM 997 O SER A 70 13.101 5.431 0.397 1.00 74.13 O ATOM 998 CB SER A 70 15.146 4.644 -2.271 1.00 44.50 C ATOM 999 OG SER A 70 15.577 5.853 -2.877 1.00 24.21 O ATOM 0 H SER A 70 13.803 3.480 0.179 1.00 43.13 H new ATOM 0 HA SER A 70 16.114 5.109 -0.437 1.00 73.23 H new ATOM 0 HB2 SER A 70 15.812 3.831 -2.558 1.00 44.50 H new ATOM 0 HB3 SER A 70 14.152 4.384 -2.634 1.00 44.50 H new ATOM 0 HG SER A 70 15.513 5.771 -3.851 1.00 24.21 H new ATOM 1004 N THR A 71 14.227 7.047 -0.685 1.00 62.23 N ATOM 1005 CA THR A 71 13.169 8.040 -0.632 1.00 33.33 C ATOM 1006 C THR A 71 13.075 8.822 -1.955 1.00 72.21 C ATOM 1007 O THR A 71 12.425 9.863 -2.006 1.00 53.52 O ATOM 1008 CB THR A 71 13.249 8.822 0.683 1.00 23.41 C ATOM 1009 OG1 THR A 71 11.989 9.353 1.048 1.00 23.11 O ATOM 1010 CG2 THR A 71 14.252 9.936 0.574 1.00 22.41 C ATOM 0 H THR A 71 15.105 7.406 -1.061 1.00 62.23 H new ATOM 0 HA THR A 71 12.182 7.581 -0.581 1.00 33.33 H new ATOM 0 HB THR A 71 13.566 8.124 1.458 1.00 23.41 H new ATOM 0 HG1 THR A 71 12.073 9.845 1.892 1.00 23.11 H new ATOM 0 HG21 THR A 71 14.295 10.480 1.517 1.00 22.41 H new ATOM 0 HG22 THR A 71 15.234 9.520 0.350 1.00 22.41 H new ATOM 0 HG23 THR A 71 13.955 10.616 -0.224 1.00 22.41 H new ATOM 1018 N PHE A 72 13.715 8.366 -3.038 1.00 53.22 N ATOM 1019 CA PHE A 72 13.523 8.936 -4.367 1.00 11.22 C ATOM 1020 C PHE A 72 12.315 8.275 -5.027 1.00 2.12 C ATOM 1021 O PHE A 72 12.257 7.052 -5.110 1.00 33.11 O ATOM 1022 CB PHE A 72 14.781 8.717 -5.214 1.00 13.45 C ATOM 1023 CG PHE A 72 15.961 9.591 -4.836 1.00 33.23 C ATOM 1024 CD1 PHE A 72 15.984 10.943 -5.228 1.00 51.33 C ATOM 1025 CD2 PHE A 72 17.073 9.044 -4.168 1.00 64.11 C ATOM 1026 CE1 PHE A 72 17.117 11.736 -4.977 1.00 20.31 C ATOM 1027 CE2 PHE A 72 18.213 9.833 -3.932 1.00 24.13 C ATOM 1028 CZ PHE A 72 18.238 11.177 -4.341 1.00 61.02 C ATOM 0 H PHE A 72 14.379 7.592 -3.013 1.00 53.22 H new ATOM 0 HA PHE A 72 13.344 10.008 -4.285 1.00 11.22 H new ATOM 0 HB2 PHE A 72 15.080 7.672 -5.132 1.00 13.45 H new ATOM 0 HB3 PHE A 72 14.534 8.897 -6.260 1.00 13.45 H new ATOM 0 HD1 PHE A 72 15.127 11.373 -5.724 1.00 51.33 H new ATOM 0 HD2 PHE A 72 17.051 8.016 -3.836 1.00 64.11 H new ATOM 0 HE1 PHE A 72 17.126 12.775 -5.273 1.00 20.31 H new ATOM 0 HE2 PHE A 72 19.071 9.405 -3.435 1.00 24.13 H new ATOM 0 HZ PHE A 72 19.117 11.779 -4.167 1.00 61.02 H new ATOM 1037 N GLU A 73 11.364 9.055 -5.528 1.00 54.53 N ATOM 1038 CA GLU A 73 10.245 8.588 -6.339 1.00 12.11 C ATOM 1039 C GLU A 73 10.647 7.645 -7.484 1.00 62.14 C ATOM 1040 O GLU A 73 9.982 6.621 -7.620 1.00 42.32 O ATOM 1041 CB GLU A 73 9.407 9.760 -6.860 1.00 53.52 C ATOM 1042 CG GLU A 73 8.541 10.399 -5.772 1.00 1.34 C ATOM 1043 CD GLU A 73 9.183 11.596 -5.077 1.00 61.04 C ATOM 1044 OE1 GLU A 73 10.364 11.513 -4.661 1.00 75.11 O ATOM 1045 OE2 GLU A 73 8.489 12.626 -4.943 1.00 52.44 O ATOM 0 H GLU A 73 11.350 10.064 -5.376 1.00 54.53 H new ATOM 0 HA GLU A 73 9.632 7.988 -5.666 1.00 12.11 H new ATOM 0 HB2 GLU A 73 10.070 10.516 -7.281 1.00 53.52 H new ATOM 0 HB3 GLU A 73 8.766 9.411 -7.670 1.00 53.52 H new ATOM 0 HG2 GLU A 73 7.597 10.715 -6.215 1.00 1.34 H new ATOM 0 HG3 GLU A 73 8.304 9.643 -5.023 1.00 1.34 H new ATOM 1050 N PRO A 74 11.709 7.890 -8.277 1.00 11.43 N ATOM 1051 CA PRO A 74 12.144 6.948 -9.311 1.00 64.14 C ATOM 1052 C PRO A 74 12.707 5.619 -8.777 1.00 2.44 C ATOM 1053 O PRO A 74 12.998 4.727 -9.576 1.00 35.22 O ATOM 1054 CB PRO A 74 13.148 7.711 -10.177 1.00 22.35 C ATOM 1055 CG PRO A 74 13.655 8.814 -9.259 1.00 52.31 C ATOM 1056 CD PRO A 74 12.423 9.148 -8.431 1.00 55.21 C ATOM 0 HA PRO A 74 11.282 6.617 -9.890 1.00 64.14 H new ATOM 0 HB2 PRO A 74 13.959 7.065 -10.512 1.00 22.35 H new ATOM 0 HB3 PRO A 74 12.676 8.120 -11.071 1.00 22.35 H new ATOM 0 HG2 PRO A 74 14.482 8.475 -8.636 1.00 52.31 H new ATOM 0 HG3 PRO A 74 14.012 9.677 -9.821 1.00 52.31 H new ATOM 0 HD2 PRO A 74 12.701 9.563 -7.462 1.00 55.21 H new ATOM 0 HD3 PRO A 74 11.804 9.893 -8.931 1.00 55.21 H new ATOM 1061 N ASP A 75 12.837 5.446 -7.458 1.00 24.13 N ATOM 1062 CA ASP A 75 13.025 4.140 -6.828 1.00 72.43 C ATOM 1063 C ASP A 75 11.678 3.643 -6.307 1.00 32.45 C ATOM 1064 O ASP A 75 11.312 2.486 -6.506 1.00 35.41 O ATOM 1065 CB ASP A 75 14.011 4.234 -5.653 1.00 23.43 C ATOM 1066 CG ASP A 75 15.443 4.555 -6.070 1.00 42.42 C ATOM 1067 OD1 ASP A 75 15.876 4.161 -7.171 1.00 71.41 O ATOM 1068 OD2 ASP A 75 16.178 5.158 -5.252 1.00 11.55 O ATOM 0 H ASP A 75 12.814 6.219 -6.792 1.00 24.13 H new ATOM 0 HA ASP A 75 13.430 3.450 -7.568 1.00 72.43 H new ATOM 0 HB2 ASP A 75 13.664 5.002 -4.961 1.00 23.43 H new ATOM 0 HB3 ASP A 75 14.005 3.289 -5.110 1.00 23.43 H new ATOM 1072 N LEU A 76 10.944 4.519 -5.613 1.00 20.24 N ATOM 1073 CA LEU A 76 9.695 4.207 -4.937 1.00 55.34 C ATOM 1074 C LEU A 76 8.624 3.819 -5.941 1.00 12.14 C ATOM 1075 O LEU A 76 8.247 2.661 -5.978 1.00 12.35 O ATOM 1076 CB LEU A 76 9.214 5.384 -4.073 1.00 74.33 C ATOM 1077 CG LEU A 76 10.134 5.738 -2.895 1.00 15.45 C ATOM 1078 CD1 LEU A 76 9.671 7.060 -2.281 1.00 14.14 C ATOM 1079 CD2 LEU A 76 10.106 4.654 -1.822 1.00 12.31 C ATOM 0 H LEU A 76 11.218 5.496 -5.507 1.00 20.24 H new ATOM 0 HA LEU A 76 9.881 3.360 -4.277 1.00 55.34 H new ATOM 0 HB2 LEU A 76 9.107 6.263 -4.709 1.00 74.33 H new ATOM 0 HB3 LEU A 76 8.223 5.149 -3.684 1.00 74.33 H new ATOM 0 HG LEU A 76 11.154 5.823 -3.270 1.00 15.45 H new ATOM 0 HD11 LEU A 76 10.319 7.319 -1.444 1.00 14.14 H new ATOM 0 HD12 LEU A 76 9.719 7.847 -3.034 1.00 14.14 H new ATOM 0 HD13 LEU A 76 8.645 6.957 -1.928 1.00 14.14 H new ATOM 0 HD21 LEU A 76 10.768 4.936 -1.003 1.00 12.31 H new ATOM 0 HD22 LEU A 76 9.089 4.541 -1.445 1.00 12.31 H new ATOM 0 HD23 LEU A 76 10.441 3.709 -2.250 1.00 12.31 H new ATOM 1090 N ASP A 77 8.115 4.746 -6.749 1.00 60.03 N ATOM 1091 CA ASP A 77 6.998 4.480 -7.658 1.00 51.22 C ATOM 1092 C ASP A 77 7.371 3.402 -8.680 1.00 21.02 C ATOM 1093 O ASP A 77 6.535 2.612 -9.111 1.00 35.33 O ATOM 1094 CB ASP A 77 6.596 5.778 -8.359 1.00 34.41 C ATOM 1095 CG ASP A 77 5.291 5.609 -9.136 1.00 15.31 C ATOM 1096 OD1 ASP A 77 4.249 5.456 -8.464 1.00 60.24 O ATOM 1097 OD2 ASP A 77 5.319 5.719 -10.390 1.00 64.34 O ATOM 0 H ASP A 77 8.464 5.703 -6.794 1.00 60.03 H new ATOM 0 HA ASP A 77 6.151 4.108 -7.082 1.00 51.22 H new ATOM 0 HB2 ASP A 77 6.482 6.572 -7.621 1.00 34.41 H new ATOM 0 HB3 ASP A 77 7.389 6.087 -9.040 1.00 34.41 H new ATOM 1101 N ALA A 78 8.667 3.302 -8.995 1.00 34.42 N ATOM 1102 CA ALA A 78 9.225 2.241 -9.819 1.00 20.21 C ATOM 1103 C ALA A 78 9.027 0.845 -9.209 1.00 74.41 C ATOM 1104 O ALA A 78 8.934 -0.135 -9.949 1.00 32.01 O ATOM 1105 CB ALA A 78 10.710 2.523 -10.029 1.00 60.44 C ATOM 0 H ALA A 78 9.365 3.973 -8.675 1.00 34.42 H new ATOM 0 HA ALA A 78 8.694 2.235 -10.771 1.00 20.21 H new ATOM 0 HB1 ALA A 78 11.146 1.737 -10.645 1.00 60.44 H new ATOM 0 HB2 ALA A 78 10.831 3.484 -10.528 1.00 60.44 H new ATOM 0 HB3 ALA A 78 11.215 2.549 -9.064 1.00 60.44 H new ATOM 1111 N TYR A 79 8.942 0.729 -7.880 1.00 23.02 N ATOM 1112 CA TYR A 79 8.598 -0.509 -7.190 1.00 13.15 C ATOM 1113 C TYR A 79 7.233 -1.006 -7.668 1.00 44.31 C ATOM 1114 O TYR A 79 7.099 -2.180 -8.003 1.00 21.45 O ATOM 1115 CB TYR A 79 8.560 -0.289 -5.670 1.00 20.01 C ATOM 1116 CG TYR A 79 8.371 -1.556 -4.876 1.00 4.34 C ATOM 1117 CD1 TYR A 79 9.479 -2.324 -4.479 1.00 74.13 C ATOM 1118 CD2 TYR A 79 7.068 -1.974 -4.562 1.00 63.24 C ATOM 1119 CE1 TYR A 79 9.284 -3.519 -3.764 1.00 0.52 C ATOM 1120 CE2 TYR A 79 6.870 -3.192 -3.894 1.00 35.42 C ATOM 1121 CZ TYR A 79 7.973 -3.969 -3.496 1.00 24.51 C ATOM 1122 OH TYR A 79 7.764 -5.136 -2.835 1.00 54.04 O ATOM 0 H TYR A 79 9.114 1.509 -7.246 1.00 23.02 H new ATOM 0 HA TYR A 79 9.360 -1.255 -7.418 1.00 13.15 H new ATOM 0 HB2 TYR A 79 9.489 0.189 -5.358 1.00 20.01 H new ATOM 0 HB3 TYR A 79 7.751 0.402 -5.432 1.00 20.01 H new ATOM 0 HD1 TYR A 79 10.479 -1.997 -4.723 1.00 74.13 H new ATOM 0 HD2 TYR A 79 6.222 -1.361 -4.833 1.00 63.24 H new ATOM 0 HE1 TYR A 79 10.134 -4.090 -3.421 1.00 0.52 H new ATOM 0 HE2 TYR A 79 5.867 -3.534 -3.685 1.00 35.42 H new ATOM 0 HH TYR A 79 6.801 -5.289 -2.737 1.00 54.04 H new ATOM 1131 N ALA A 80 6.229 -0.120 -7.716 1.00 3.31 N ATOM 1132 CA ALA A 80 4.860 -0.473 -8.084 1.00 15.21 C ATOM 1133 C ALA A 80 4.731 -0.955 -9.531 1.00 52.44 C ATOM 1134 O ALA A 80 3.715 -1.553 -9.889 1.00 51.32 O ATOM 1135 CB ALA A 80 3.926 0.718 -7.827 1.00 21.22 C ATOM 0 H ALA A 80 6.350 0.869 -7.498 1.00 3.31 H new ATOM 0 HA ALA A 80 4.568 -1.313 -7.455 1.00 15.21 H new ATOM 0 HB1 ALA A 80 2.907 0.448 -8.104 1.00 21.22 H new ATOM 0 HB2 ALA A 80 3.957 0.983 -6.770 1.00 21.22 H new ATOM 0 HB3 ALA A 80 4.250 1.570 -8.424 1.00 21.22 H new ATOM 1141 N GLU A 81 5.748 -0.734 -10.357 1.00 34.33 N ATOM 1142 CA GLU A 81 5.853 -1.265 -11.688 1.00 63.13 C ATOM 1143 C GLU A 81 6.627 -2.588 -11.640 1.00 43.20 C ATOM 1144 O GLU A 81 6.139 -3.621 -12.101 1.00 13.21 O ATOM 1145 CB GLU A 81 6.501 -0.154 -12.519 1.00 42.40 C ATOM 1146 CG GLU A 81 7.090 -0.688 -13.811 1.00 55.23 C ATOM 1147 CD GLU A 81 7.204 0.396 -14.879 1.00 64.13 C ATOM 1148 OE1 GLU A 81 6.163 0.975 -15.270 1.00 15.34 O ATOM 1149 OE2 GLU A 81 8.317 0.596 -15.416 1.00 1.14 O ATOM 0 H GLU A 81 6.547 -0.156 -10.096 1.00 34.33 H new ATOM 0 HA GLU A 81 4.900 -1.524 -12.150 1.00 63.13 H new ATOM 0 HB2 GLU A 81 5.758 0.610 -12.747 1.00 42.40 H new ATOM 0 HB3 GLU A 81 7.285 0.328 -11.934 1.00 42.40 H new ATOM 0 HG2 GLU A 81 8.077 -1.107 -13.613 1.00 55.23 H new ATOM 0 HG3 GLU A 81 6.467 -1.501 -14.185 1.00 55.23 H new ATOM 1154 N ARG A 82 7.829 -2.578 -11.063 1.00 63.43 N ATOM 1155 CA ARG A 82 8.724 -3.727 -11.046 1.00 40.34 C ATOM 1156 C ARG A 82 8.107 -4.934 -10.333 1.00 35.43 C ATOM 1157 O ARG A 82 8.266 -6.055 -10.819 1.00 40.23 O ATOM 1158 CB ARG A 82 10.073 -3.271 -10.468 1.00 0.31 C ATOM 1159 CG ARG A 82 10.987 -4.425 -10.053 1.00 12.41 C ATOM 1160 CD ARG A 82 12.457 -4.026 -9.977 1.00 33.15 C ATOM 1161 NE ARG A 82 13.175 -4.285 -11.241 1.00 44.44 N ATOM 1162 CZ ARG A 82 13.885 -3.424 -11.981 1.00 22.45 C ATOM 1163 NH1 ARG A 82 13.889 -2.121 -11.725 1.00 22.14 N ATOM 1164 NH2 ARG A 82 14.609 -3.896 -12.989 1.00 23.13 N ATOM 0 H ARG A 82 8.210 -1.759 -10.589 1.00 63.43 H new ATOM 0 HA ARG A 82 8.894 -4.090 -12.059 1.00 40.34 H new ATOM 0 HB2 ARG A 82 10.588 -2.660 -11.210 1.00 0.31 H new ATOM 0 HB3 ARG A 82 9.891 -2.635 -9.602 1.00 0.31 H new ATOM 0 HG2 ARG A 82 10.668 -4.802 -9.081 1.00 12.41 H new ATOM 0 HG3 ARG A 82 10.875 -5.243 -10.764 1.00 12.41 H new ATOM 0 HD2 ARG A 82 12.531 -2.967 -9.730 1.00 33.15 H new ATOM 0 HD3 ARG A 82 12.939 -4.576 -9.169 1.00 33.15 H new ATOM 0 HE ARG A 82 13.124 -5.240 -11.595 1.00 44.44 H new ATOM 0 HH11 ARG A 82 13.341 -1.752 -10.947 1.00 22.14 H new ATOM 0 HH12 ARG A 82 14.440 -1.489 -12.306 1.00 22.14 H new ATOM 0 HH21 ARG A 82 14.617 -4.897 -13.187 1.00 23.13 H new ATOM 0 HH22 ARG A 82 15.157 -3.258 -13.566 1.00 23.13 H new ATOM 1175 N ALA A 83 7.409 -4.734 -9.213 1.00 44.21 N ATOM 1176 CA ALA A 83 6.740 -5.802 -8.470 1.00 31.35 C ATOM 1177 C ALA A 83 5.779 -6.568 -9.391 1.00 12.32 C ATOM 1178 O ALA A 83 5.812 -7.801 -9.457 1.00 61.24 O ATOM 1179 CB ALA A 83 6.031 -5.215 -7.234 1.00 0.42 C ATOM 0 H ALA A 83 7.291 -3.813 -8.792 1.00 44.21 H new ATOM 0 HA ALA A 83 7.477 -6.520 -8.112 1.00 31.35 H new ATOM 0 HB1 ALA A 83 5.535 -6.015 -6.685 1.00 0.42 H new ATOM 0 HB2 ALA A 83 6.765 -4.733 -6.588 1.00 0.42 H new ATOM 0 HB3 ALA A 83 5.291 -4.481 -7.553 1.00 0.42 H new ATOM 1185 N ALA A 84 4.977 -5.837 -10.168 1.00 60.50 N ATOM 1186 CA ALA A 84 3.906 -6.343 -11.017 1.00 12.15 C ATOM 1187 C ALA A 84 4.368 -7.068 -12.286 1.00 22.51 C ATOM 1188 O ALA A 84 3.593 -7.194 -13.233 1.00 71.55 O ATOM 1189 CB ALA A 84 2.981 -5.172 -11.364 1.00 24.13 C ATOM 0 H ALA A 84 5.065 -4.822 -10.222 1.00 60.50 H new ATOM 0 HA ALA A 84 3.385 -7.113 -10.448 1.00 12.15 H new ATOM 0 HB1 ALA A 84 2.170 -5.525 -12.000 1.00 24.13 H new ATOM 0 HB2 ALA A 84 2.567 -4.752 -10.448 1.00 24.13 H new ATOM 0 HB3 ALA A 84 3.548 -4.405 -11.892 1.00 24.13 H new ATOM 1195 N ARG A 85 5.614 -7.543 -12.337 1.00 33.45 N ATOM 1196 CA ARG A 85 6.166 -8.301 -13.467 1.00 43.30 C ATOM 1197 C ARG A 85 6.657 -9.684 -13.053 1.00 71.25 C ATOM 1198 O ARG A 85 7.219 -10.402 -13.883 1.00 55.44 O ATOM 1199 CB ARG A 85 7.300 -7.487 -14.084 1.00 34.11 C ATOM 1200 CG ARG A 85 6.801 -6.246 -14.833 1.00 62.21 C ATOM 1201 CD ARG A 85 8.005 -5.326 -14.934 1.00 41.01 C ATOM 1202 NE ARG A 85 7.759 -4.146 -15.760 1.00 21.02 N ATOM 1203 CZ ARG A 85 8.569 -3.087 -15.800 1.00 3.34 C ATOM 1204 NH1 ARG A 85 9.689 -3.042 -15.081 1.00 41.32 N ATOM 1205 NH2 ARG A 85 8.237 -2.069 -16.577 1.00 64.10 N ATOM 0 H ARG A 85 6.283 -7.410 -11.579 1.00 33.45 H new ATOM 0 HA ARG A 85 5.375 -8.465 -14.198 1.00 43.30 H new ATOM 0 HB2 ARG A 85 7.989 -7.179 -13.298 1.00 34.11 H new ATOM 0 HB3 ARG A 85 7.863 -8.119 -14.771 1.00 34.11 H new ATOM 0 HG2 ARG A 85 6.423 -6.509 -15.821 1.00 62.21 H new ATOM 0 HG3 ARG A 85 5.983 -5.765 -14.296 1.00 62.21 H new ATOM 0 HD2 ARG A 85 8.296 -5.007 -13.933 1.00 41.01 H new ATOM 0 HD3 ARG A 85 8.846 -5.883 -15.348 1.00 41.01 H new ATOM 0 HE ARG A 85 6.920 -4.131 -16.339 1.00 21.02 H new ATOM 0 HH11 ARG A 85 9.943 -3.828 -14.483 1.00 41.32 H new ATOM 0 HH12 ARG A 85 10.293 -2.221 -15.128 1.00 41.32 H new ATOM 0 HH21 ARG A 85 7.379 -2.106 -17.127 1.00 64.10 H new ATOM 0 HH22 ARG A 85 8.839 -1.247 -16.626 1.00 64.10 H new ATOM 1216 N ILE A 86 6.515 -10.033 -11.772 1.00 13.04 N ATOM 1217 CA ILE A 86 6.869 -11.335 -11.216 1.00 43.24 C ATOM 1218 C ILE A 86 5.737 -11.780 -10.285 1.00 20.10 C ATOM 1219 O ILE A 86 5.367 -12.958 -10.278 1.00 33.10 O ATOM 1220 CB ILE A 86 8.240 -11.299 -10.483 1.00 15.12 C ATOM 1221 CG1 ILE A 86 9.391 -10.681 -11.319 1.00 64.52 C ATOM 1222 CG2 ILE A 86 8.667 -12.725 -10.091 1.00 0.04 C ATOM 1223 CD1 ILE A 86 9.529 -9.166 -11.128 1.00 51.01 C ATOM 0 H ILE A 86 6.138 -9.394 -11.073 1.00 13.04 H new ATOM 0 HA ILE A 86 6.985 -12.058 -12.024 1.00 43.24 H new ATOM 0 HB ILE A 86 8.081 -10.664 -9.612 1.00 15.12 H new ATOM 0 HG12 ILE A 86 10.330 -11.162 -11.045 1.00 64.52 H new ATOM 0 HG13 ILE A 86 9.220 -10.894 -12.374 1.00 64.52 H new ATOM 0 HG21 ILE A 86 9.628 -12.689 -9.578 1.00 0.04 H new ATOM 0 HG22 ILE A 86 7.918 -13.160 -9.429 1.00 0.04 H new ATOM 0 HG23 ILE A 86 8.757 -13.337 -10.988 1.00 0.04 H new ATOM 0 HD11 ILE A 86 10.352 -8.796 -11.740 1.00 51.01 H new ATOM 0 HD12 ILE A 86 8.603 -8.676 -11.429 1.00 51.01 H new ATOM 0 HD13 ILE A 86 9.730 -8.948 -10.079 1.00 51.01 H new ATOM 1234 N ASP A 87 5.159 -10.856 -9.505 1.00 35.43 N ATOM 1235 CA ASP A 87 3.978 -11.181 -8.713 1.00 13.10 C ATOM 1236 C ASP A 87 2.807 -11.355 -9.679 1.00 41.45 C ATOM 1237 O ASP A 87 2.720 -10.645 -10.692 1.00 32.10 O ATOM 1238 CB ASP A 87 3.734 -10.111 -7.639 1.00 13.01 C ATOM 1239 CG ASP A 87 4.584 -10.360 -6.385 1.00 62.32 C ATOM 1240 OD1 ASP A 87 5.787 -10.708 -6.476 1.00 21.32 O ATOM 1241 OD2 ASP A 87 4.031 -10.242 -5.272 1.00 44.33 O ATOM 0 H ASP A 87 5.487 -9.895 -9.410 1.00 35.43 H new ATOM 0 HA ASP A 87 4.112 -12.113 -8.163 1.00 13.10 H new ATOM 0 HB2 ASP A 87 3.966 -9.127 -8.046 1.00 13.01 H new ATOM 0 HB3 ASP A 87 2.678 -10.102 -7.367 1.00 13.01 H new ATOM 1245 N PRO A 88 1.895 -12.299 -9.392 1.00 34.20 N ATOM 1246 CA PRO A 88 0.946 -12.788 -10.380 1.00 21.24 C ATOM 1247 C PRO A 88 -0.118 -11.734 -10.659 1.00 71.32 C ATOM 1248 O PRO A 88 -0.464 -11.474 -11.811 1.00 22.41 O ATOM 1249 CB PRO A 88 0.345 -14.067 -9.780 1.00 22.33 C ATOM 1250 CG PRO A 88 0.537 -13.890 -8.275 1.00 72.55 C ATOM 1251 CD PRO A 88 1.847 -13.123 -8.194 1.00 14.31 C ATOM 0 HA PRO A 88 1.419 -12.999 -11.339 1.00 21.24 H new ATOM 0 HB2 PRO A 88 -0.708 -14.173 -10.039 1.00 22.33 H new ATOM 0 HB3 PRO A 88 0.855 -14.958 -10.146 1.00 22.33 H new ATOM 0 HG2 PRO A 88 -0.286 -13.335 -7.824 1.00 72.55 H new ATOM 0 HG3 PRO A 88 0.596 -14.848 -7.759 1.00 72.55 H new ATOM 0 HD2 PRO A 88 1.886 -12.509 -7.294 1.00 14.31 H new ATOM 0 HD3 PRO A 88 2.697 -13.804 -8.153 1.00 14.31 H new ATOM 1256 N ASP A 89 -0.618 -11.089 -9.608 1.00 24.12 N ATOM 1257 CA ASP A 89 -1.847 -10.301 -9.704 1.00 0.10 C ATOM 1258 C ASP A 89 -1.867 -9.299 -8.551 1.00 13.11 C ATOM 1259 O ASP A 89 -2.567 -9.478 -7.556 1.00 2.24 O ATOM 1260 CB ASP A 89 -3.070 -11.250 -9.721 1.00 70.34 C ATOM 1261 CG ASP A 89 -4.078 -10.947 -10.836 1.00 43.35 C ATOM 1262 OD1 ASP A 89 -4.210 -9.785 -11.278 1.00 12.41 O ATOM 1263 OD2 ASP A 89 -4.764 -11.898 -11.270 1.00 12.23 O ATOM 0 H ASP A 89 -0.193 -11.095 -8.681 1.00 24.12 H new ATOM 0 HA ASP A 89 -1.889 -9.732 -10.633 1.00 0.10 H new ATOM 0 HB2 ASP A 89 -2.719 -12.276 -9.831 1.00 70.34 H new ATOM 0 HB3 ASP A 89 -3.578 -11.188 -8.759 1.00 70.34 H new ATOM 1267 N ILE A 90 -1.010 -8.283 -8.625 1.00 34.42 N ATOM 1268 CA ILE A 90 -0.770 -7.356 -7.521 1.00 1.13 C ATOM 1269 C ILE A 90 -1.611 -6.085 -7.703 1.00 62.53 C ATOM 1270 O ILE A 90 -1.738 -5.558 -8.807 1.00 21.20 O ATOM 1271 CB ILE A 90 0.748 -7.115 -7.383 1.00 42.23 C ATOM 1272 CG1 ILE A 90 1.086 -6.231 -6.169 1.00 14.44 C ATOM 1273 CG2 ILE A 90 1.373 -6.539 -8.660 1.00 20.53 C ATOM 1274 CD1 ILE A 90 2.578 -6.265 -5.804 1.00 4.24 C ATOM 0 H ILE A 90 -0.459 -8.078 -9.458 1.00 34.42 H new ATOM 0 HA ILE A 90 -1.098 -7.779 -6.572 1.00 1.13 H new ATOM 0 HB ILE A 90 1.190 -8.098 -7.218 1.00 42.23 H new ATOM 0 HG12 ILE A 90 0.792 -5.203 -6.381 1.00 14.44 H new ATOM 0 HG13 ILE A 90 0.499 -6.560 -5.311 1.00 14.44 H new ATOM 0 HG21 ILE A 90 2.442 -6.389 -8.507 1.00 20.53 H new ATOM 0 HG22 ILE A 90 1.219 -7.233 -9.486 1.00 20.53 H new ATOM 0 HG23 ILE A 90 0.903 -5.584 -8.896 1.00 20.53 H new ATOM 0 HD11 ILE A 90 2.756 -5.623 -4.941 1.00 4.24 H new ATOM 0 HD12 ILE A 90 2.870 -7.287 -5.563 1.00 4.24 H new ATOM 0 HD13 ILE A 90 3.167 -5.909 -6.649 1.00 4.24 H new ATOM 1285 N TRP A 91 -2.187 -5.593 -6.611 1.00 14.24 N ATOM 1286 CA TRP A 91 -2.940 -4.351 -6.562 1.00 30.30 C ATOM 1287 C TRP A 91 -1.981 -3.192 -6.271 1.00 4.23 C ATOM 1288 O TRP A 91 -1.010 -3.348 -5.527 1.00 53.01 O ATOM 1289 CB TRP A 91 -4.017 -4.435 -5.470 1.00 12.10 C ATOM 1290 CG TRP A 91 -5.131 -5.430 -5.655 1.00 23.12 C ATOM 1291 CD1 TRP A 91 -5.009 -6.775 -5.699 1.00 72.21 C ATOM 1292 CD2 TRP A 91 -6.565 -5.181 -5.767 1.00 62.54 C ATOM 1293 NE1 TRP A 91 -6.252 -7.353 -5.868 1.00 61.35 N ATOM 1294 CE2 TRP A 91 -7.252 -6.414 -5.919 1.00 53.14 C ATOM 1295 CE3 TRP A 91 -7.358 -4.026 -5.741 1.00 71.32 C ATOM 1296 CZ2 TRP A 91 -8.645 -6.483 -6.067 1.00 43.04 C ATOM 1297 CZ3 TRP A 91 -8.761 -4.073 -5.847 1.00 65.52 C ATOM 1298 CH2 TRP A 91 -9.410 -5.307 -6.012 1.00 25.54 C ATOM 0 H TRP A 91 -2.139 -6.065 -5.708 1.00 14.24 H new ATOM 0 HA TRP A 91 -3.430 -4.182 -7.521 1.00 30.30 H new ATOM 0 HB2 TRP A 91 -3.520 -4.661 -4.527 1.00 12.10 H new ATOM 0 HB3 TRP A 91 -4.465 -3.447 -5.365 1.00 12.10 H new ATOM 0 HD1 TRP A 91 -4.079 -7.317 -5.615 1.00 72.21 H new ATOM 0 HE1 TRP A 91 -6.408 -8.358 -5.946 1.00 61.35 H new ATOM 0 HE3 TRP A 91 -6.876 -3.065 -5.636 1.00 71.32 H new ATOM 0 HZ2 TRP A 91 -9.127 -7.437 -6.223 1.00 43.04 H new ATOM 0 HZ3 TRP A 91 -9.337 -3.161 -5.801 1.00 65.52 H new ATOM 0 HH2 TRP A 91 -10.486 -5.351 -6.096 1.00 25.54 H new ATOM 1308 N VAL A 92 -2.299 -2.007 -6.790 1.00 24.44 N ATOM 1309 CA VAL A 92 -1.559 -0.761 -6.599 1.00 21.32 C ATOM 1310 C VAL A 92 -2.572 0.211 -6.015 1.00 50.14 C ATOM 1311 O VAL A 92 -3.628 0.413 -6.623 1.00 5.22 O ATOM 1312 CB VAL A 92 -0.984 -0.270 -7.943 1.00 24.25 C ATOM 1313 CG1 VAL A 92 -0.257 1.072 -7.853 1.00 4.14 C ATOM 1314 CG2 VAL A 92 0.005 -1.267 -8.554 1.00 63.34 C ATOM 0 H VAL A 92 -3.119 -1.884 -7.384 1.00 24.44 H new ATOM 0 HA VAL A 92 -0.701 -0.874 -5.936 1.00 21.32 H new ATOM 0 HB VAL A 92 -1.868 -0.162 -8.571 1.00 24.25 H new ATOM 0 HG11 VAL A 92 0.118 1.349 -8.838 1.00 4.14 H new ATOM 0 HG12 VAL A 92 -0.948 1.837 -7.500 1.00 4.14 H new ATOM 0 HG13 VAL A 92 0.578 0.988 -7.157 1.00 4.14 H new ATOM 0 HG21 VAL A 92 0.381 -0.874 -9.499 1.00 63.34 H new ATOM 0 HG22 VAL A 92 0.838 -1.420 -7.868 1.00 63.34 H new ATOM 0 HG23 VAL A 92 -0.499 -2.217 -8.731 1.00 63.34 H new ATOM 1324 N VAL A 93 -2.295 0.752 -4.831 1.00 54.12 N ATOM 1325 CA VAL A 93 -3.244 1.513 -4.039 1.00 63.03 C ATOM 1326 C VAL A 93 -2.498 2.744 -3.532 1.00 73.34 C ATOM 1327 O VAL A 93 -1.764 2.689 -2.539 1.00 65.14 O ATOM 1328 CB VAL A 93 -3.872 0.638 -2.929 1.00 31.41 C ATOM 1329 CG1 VAL A 93 -5.130 1.317 -2.377 1.00 73.30 C ATOM 1330 CG2 VAL A 93 -4.295 -0.758 -3.425 1.00 2.44 C ATOM 0 H VAL A 93 -1.380 0.668 -4.389 1.00 54.12 H new ATOM 0 HA VAL A 93 -4.101 1.843 -4.626 1.00 63.03 H new ATOM 0 HB VAL A 93 -3.100 0.523 -2.168 1.00 31.41 H new ATOM 0 HG11 VAL A 93 -5.566 0.695 -1.596 1.00 73.30 H new ATOM 0 HG12 VAL A 93 -4.866 2.289 -1.961 1.00 73.30 H new ATOM 0 HG13 VAL A 93 -5.854 1.451 -3.181 1.00 73.30 H new ATOM 0 HG21 VAL A 93 -4.728 -1.322 -2.599 1.00 2.44 H new ATOM 0 HG22 VAL A 93 -5.034 -0.653 -4.220 1.00 2.44 H new ATOM 0 HG23 VAL A 93 -3.423 -1.288 -3.808 1.00 2.44 H new ATOM 1340 N GLU A 94 -2.655 3.848 -4.261 1.00 5.52 N ATOM 1341 CA GLU A 94 -1.879 5.064 -4.073 1.00 24.02 C ATOM 1342 C GLU A 94 -2.729 6.069 -3.294 1.00 24.13 C ATOM 1343 O GLU A 94 -3.840 6.396 -3.729 1.00 42.11 O ATOM 1344 CB GLU A 94 -1.466 5.636 -5.441 1.00 63.13 C ATOM 1345 CG GLU A 94 -0.852 4.623 -6.428 1.00 33.14 C ATOM 1346 CD GLU A 94 0.330 3.792 -5.923 1.00 22.22 C ATOM 1347 OE1 GLU A 94 0.099 2.754 -5.266 1.00 65.41 O ATOM 1348 OE2 GLU A 94 1.479 4.158 -6.267 1.00 51.12 O ATOM 0 H GLU A 94 -3.340 3.919 -5.013 1.00 5.52 H new ATOM 0 HA GLU A 94 -0.970 4.851 -3.510 1.00 24.02 H new ATOM 0 HB2 GLU A 94 -2.343 6.085 -5.907 1.00 63.13 H new ATOM 0 HB3 GLU A 94 -0.747 6.438 -5.277 1.00 63.13 H new ATOM 0 HG2 GLU A 94 -1.638 3.937 -6.743 1.00 33.14 H new ATOM 0 HG3 GLU A 94 -0.529 5.167 -7.316 1.00 33.14 H new ATOM 1353 N ILE A 95 -2.227 6.541 -2.152 1.00 53.44 N ATOM 1354 CA ILE A 95 -2.860 7.476 -1.232 1.00 51.42 C ATOM 1355 C ILE A 95 -1.993 8.744 -1.264 1.00 43.22 C ATOM 1356 O ILE A 95 -0.817 8.703 -0.893 1.00 71.32 O ATOM 1357 CB ILE A 95 -2.966 6.850 0.189 1.00 5.44 C ATOM 1358 CG1 ILE A 95 -3.849 5.585 0.315 1.00 31.04 C ATOM 1359 CG2 ILE A 95 -3.583 7.860 1.167 1.00 25.13 C ATOM 1360 CD1 ILE A 95 -3.318 4.319 -0.350 1.00 74.20 C ATOM 0 H ILE A 95 -1.303 6.258 -1.827 1.00 53.44 H new ATOM 0 HA ILE A 95 -3.884 7.717 -1.519 1.00 51.42 H new ATOM 0 HB ILE A 95 -1.935 6.573 0.411 1.00 5.44 H new ATOM 0 HG12 ILE A 95 -3.999 5.377 1.374 1.00 31.04 H new ATOM 0 HG13 ILE A 95 -4.828 5.808 -0.108 1.00 31.04 H new ATOM 0 HG21 ILE A 95 -3.652 7.411 2.158 1.00 25.13 H new ATOM 0 HG22 ILE A 95 -2.956 8.750 1.215 1.00 25.13 H new ATOM 0 HG23 ILE A 95 -4.580 8.137 0.824 1.00 25.13 H new ATOM 0 HD11 ILE A 95 -4.023 3.503 -0.193 1.00 74.20 H new ATOM 0 HD12 ILE A 95 -3.196 4.493 -1.419 1.00 74.20 H new ATOM 0 HD13 ILE A 95 -2.355 4.055 0.086 1.00 74.20 H new ATOM 1371 N GLU A 96 -2.514 9.860 -1.773 1.00 22.04 N ATOM 1372 CA GLU A 96 -1.801 11.130 -1.847 1.00 5.12 C ATOM 1373 C GLU A 96 -2.194 12.006 -0.655 1.00 54.24 C ATOM 1374 O GLU A 96 -3.091 12.852 -0.775 1.00 24.23 O ATOM 1375 CB GLU A 96 -2.027 11.836 -3.195 1.00 22.03 C ATOM 1376 CG GLU A 96 -1.283 11.126 -4.331 1.00 41.21 C ATOM 1377 CD GLU A 96 -1.202 11.987 -5.597 1.00 64.34 C ATOM 1378 OE1 GLU A 96 -2.220 12.181 -6.298 1.00 63.41 O ATOM 1379 OE2 GLU A 96 -0.091 12.473 -5.920 1.00 4.12 O ATOM 0 H GLU A 96 -3.460 9.905 -2.151 1.00 22.04 H new ATOM 0 HA GLU A 96 -0.730 10.937 -1.791 1.00 5.12 H new ATOM 0 HB2 GLU A 96 -3.094 11.864 -3.418 1.00 22.03 H new ATOM 0 HB3 GLU A 96 -1.689 12.870 -3.127 1.00 22.03 H new ATOM 0 HG2 GLU A 96 -0.276 10.873 -4.001 1.00 41.21 H new ATOM 0 HG3 GLU A 96 -1.788 10.188 -4.563 1.00 41.21 H new ATOM 1384 N ASP A 97 -1.558 11.800 0.506 1.00 50.42 N ATOM 1385 CA ASP A 97 -1.861 12.502 1.739 1.00 45.20 C ATOM 1386 C ASP A 97 -1.066 13.808 1.829 1.00 72.03 C ATOM 1387 O ASP A 97 -0.212 14.124 0.991 1.00 12.22 O ATOM 1388 CB ASP A 97 -1.586 11.558 2.920 1.00 3.44 C ATOM 1389 CG ASP A 97 -2.874 10.948 3.471 1.00 44.33 C ATOM 1390 OD1 ASP A 97 -3.667 11.723 4.059 1.00 21.31 O ATOM 1391 OD2 ASP A 97 -3.005 9.710 3.474 1.00 64.21 O ATOM 0 H ASP A 97 -0.802 11.122 0.606 1.00 50.42 H new ATOM 0 HA ASP A 97 -2.913 12.787 1.765 1.00 45.20 H new ATOM 0 HB2 ASP A 97 -0.915 10.761 2.600 1.00 3.44 H new ATOM 0 HB3 ASP A 97 -1.076 12.106 3.712 1.00 3.44 H new ATOM 1395 N ARG A 98 -1.372 14.602 2.851 1.00 33.13 N ATOM 1396 CA ARG A 98 -0.848 15.949 3.080 1.00 5.55 C ATOM 1397 C ARG A 98 -0.206 16.070 4.461 1.00 70.24 C ATOM 1398 O ARG A 98 0.217 17.160 4.833 1.00 21.35 O ATOM 1399 CB ARG A 98 -1.929 17.015 2.820 1.00 4.15 C ATOM 1400 CG ARG A 98 -3.233 16.670 3.527 1.00 62.04 C ATOM 1401 CD ARG A 98 -4.337 17.709 3.341 1.00 13.55 C ATOM 1402 NE ARG A 98 -5.610 17.181 3.854 1.00 71.34 N ATOM 1403 CZ ARG A 98 -6.726 17.873 4.088 1.00 50.41 C ATOM 1404 NH1 ARG A 98 -6.788 19.169 3.814 1.00 52.43 N ATOM 1405 NH2 ARG A 98 -7.778 17.260 4.623 1.00 2.53 N ATOM 0 H ARG A 98 -2.024 14.311 3.579 1.00 33.13 H new ATOM 0 HA ARG A 98 -0.052 16.135 2.359 1.00 5.55 H new ATOM 0 HB2 ARG A 98 -1.574 17.987 3.163 1.00 4.15 H new ATOM 0 HB3 ARG A 98 -2.107 17.101 1.748 1.00 4.15 H new ATOM 0 HG2 ARG A 98 -3.589 15.707 3.160 1.00 62.04 H new ATOM 0 HG3 ARG A 98 -3.036 16.552 4.592 1.00 62.04 H new ATOM 0 HD2 ARG A 98 -4.076 18.628 3.866 1.00 13.55 H new ATOM 0 HD3 ARG A 98 -4.437 17.962 2.285 1.00 13.55 H new ATOM 0 HE ARG A 98 -5.643 16.181 4.052 1.00 71.34 H new ATOM 0 HH11 ARG A 98 -5.977 19.646 3.420 1.00 52.43 H new ATOM 0 HH12 ARG A 98 -7.647 19.688 3.997 1.00 52.43 H new ATOM 0 HH21 ARG A 98 -7.728 16.267 4.852 1.00 2.53 H new ATOM 0 HH22 ARG A 98 -8.635 17.783 4.805 1.00 2.53 H new ATOM 1416 N ASP A 99 -0.136 14.983 5.228 1.00 52.53 N ATOM 1417 CA ASP A 99 0.429 14.920 6.572 1.00 5.32 C ATOM 1418 C ASP A 99 1.048 13.531 6.815 1.00 55.40 C ATOM 1419 O ASP A 99 1.080 13.059 7.955 1.00 75.00 O ATOM 1420 CB ASP A 99 -0.664 15.259 7.605 1.00 24.11 C ATOM 1421 CG ASP A 99 -0.116 15.616 8.992 1.00 21.02 C ATOM 1422 OD1 ASP A 99 1.106 15.835 9.152 1.00 15.15 O ATOM 1423 OD2 ASP A 99 -0.951 15.796 9.914 1.00 3.41 O ATOM 0 H ASP A 99 -0.489 14.080 4.912 1.00 52.53 H new ATOM 0 HA ASP A 99 1.227 15.655 6.679 1.00 5.32 H new ATOM 0 HB2 ASP A 99 -1.256 16.095 7.232 1.00 24.11 H new ATOM 0 HB3 ASP A 99 -1.338 14.408 7.699 1.00 24.11 H new ATOM 1427 N GLY A 100 1.474 12.833 5.745 1.00 35.43 N ATOM 1428 CA GLY A 100 2.216 11.580 5.867 1.00 3.44 C ATOM 1429 C GLY A 100 1.395 10.499 6.566 1.00 61.11 C ATOM 1430 O GLY A 100 1.892 9.791 7.446 1.00 3.13 O ATOM 0 H GLY A 100 1.311 13.126 4.782 1.00 35.43 H new ATOM 0 HA2 GLY A 100 2.506 11.232 4.876 1.00 3.44 H new ATOM 0 HA3 GLY A 100 3.136 11.755 6.425 1.00 3.44 H new ATOM 1434 N ARG A 101 0.107 10.418 6.228 1.00 12.15 N ATOM 1435 CA ARG A 101 -0.793 9.407 6.775 1.00 15.33 C ATOM 1436 C ARG A 101 -0.541 8.100 6.038 1.00 32.31 C ATOM 1437 O ARG A 101 0.267 8.021 5.116 1.00 22.04 O ATOM 1438 CB ARG A 101 -2.236 9.884 6.591 1.00 34.05 C ATOM 1439 CG ARG A 101 -2.776 10.807 7.674 1.00 64.13 C ATOM 1440 CD ARG A 101 -3.467 10.023 8.800 1.00 1.55 C ATOM 1441 NE ARG A 101 -3.144 10.627 10.098 1.00 74.32 N ATOM 1442 CZ ARG A 101 -3.381 11.908 10.399 1.00 45.41 C ATOM 1443 NH1 ARG A 101 -4.399 12.547 9.829 1.00 53.51 N ATOM 1444 NH2 ARG A 101 -2.588 12.565 11.232 1.00 12.25 N ATOM 0 H ARG A 101 -0.340 11.053 5.567 1.00 12.15 H new ATOM 0 HA ARG A 101 -0.619 9.249 7.839 1.00 15.33 H new ATOM 0 HB2 ARG A 101 -2.308 10.399 5.633 1.00 34.05 H new ATOM 0 HB3 ARG A 101 -2.883 9.008 6.532 1.00 34.05 H new ATOM 0 HG2 ARG A 101 -1.959 11.396 8.090 1.00 64.13 H new ATOM 0 HG3 ARG A 101 -3.483 11.510 7.233 1.00 64.13 H new ATOM 0 HD2 ARG A 101 -4.546 10.024 8.647 1.00 1.55 H new ATOM 0 HD3 ARG A 101 -3.143 8.982 8.782 1.00 1.55 H new ATOM 0 HE ARG A 101 -2.715 10.037 10.810 1.00 74.32 H new ATOM 0 HH11 ARG A 101 -4.998 12.060 9.163 1.00 53.51 H new ATOM 0 HH12 ARG A 101 -4.580 13.524 10.058 1.00 53.51 H new ATOM 0 HH21 ARG A 101 -1.786 12.094 11.651 1.00 12.25 H new ATOM 0 HH22 ARG A 101 -2.779 13.542 11.454 1.00 12.25 H new ATOM 1455 N HIS A 102 -1.231 7.055 6.480 1.00 21.43 N ATOM 1456 CA HIS A 102 -1.109 5.719 5.920 1.00 64.13 C ATOM 1457 C HIS A 102 -2.437 4.971 5.977 1.00 1.12 C ATOM 1458 O HIS A 102 -2.708 4.170 5.085 1.00 55.22 O ATOM 1459 CB HIS A 102 0.012 4.955 6.636 1.00 41.42 C ATOM 1460 CG HIS A 102 0.010 5.136 8.134 1.00 52.52 C ATOM 1461 ND1 HIS A 102 -0.670 4.375 9.058 1.00 60.23 N ATOM 1462 CD2 HIS A 102 0.675 6.123 8.812 1.00 43.12 C ATOM 1463 CE1 HIS A 102 -0.421 4.890 10.271 1.00 24.11 C ATOM 1464 NE2 HIS A 102 0.402 5.948 10.175 1.00 55.32 N ATOM 0 H HIS A 102 -1.899 7.115 7.248 1.00 21.43 H new ATOM 0 HA HIS A 102 -0.844 5.801 4.866 1.00 64.13 H new ATOM 0 HB2 HIS A 102 -0.081 3.893 6.407 1.00 41.42 H new ATOM 0 HB3 HIS A 102 0.973 5.283 6.241 1.00 41.42 H new ATOM 0 HD2 HIS A 102 1.295 6.893 8.377 1.00 43.12 H new ATOM 0 HE1 HIS A 102 -0.826 4.508 11.196 1.00 24.11 H new ATOM 0 HE2 HIS A 102 0.759 6.514 10.945 1.00 55.32 H new ATOM 1471 N PHE A 103 -3.297 5.252 6.967 1.00 44.53 N ATOM 1472 CA PHE A 103 -4.679 4.756 7.037 1.00 10.31 C ATOM 1473 C PHE A 103 -4.834 3.221 7.100 1.00 3.54 C ATOM 1474 O PHE A 103 -5.962 2.718 7.128 1.00 25.33 O ATOM 1475 CB PHE A 103 -5.516 5.438 5.938 1.00 30.33 C ATOM 1476 CG PHE A 103 -5.860 6.874 6.273 1.00 54.23 C ATOM 1477 CD1 PHE A 103 -6.873 7.151 7.212 1.00 25.12 C ATOM 1478 CD2 PHE A 103 -5.186 7.939 5.649 1.00 64.41 C ATOM 1479 CE1 PHE A 103 -7.223 8.479 7.503 1.00 52.34 C ATOM 1480 CE2 PHE A 103 -5.561 9.264 5.920 1.00 72.33 C ATOM 1481 CZ PHE A 103 -6.573 9.538 6.851 1.00 72.13 C ATOM 0 H PHE A 103 -3.045 5.844 7.759 1.00 44.53 H new ATOM 0 HA PHE A 103 -5.079 5.045 8.009 1.00 10.31 H new ATOM 0 HB2 PHE A 103 -4.965 5.410 4.998 1.00 30.33 H new ATOM 0 HB3 PHE A 103 -6.436 4.874 5.785 1.00 30.33 H new ATOM 0 HD1 PHE A 103 -7.382 6.339 7.710 1.00 25.12 H new ATOM 0 HD2 PHE A 103 -4.379 7.737 4.960 1.00 64.41 H new ATOM 0 HE1 PHE A 103 -7.994 8.686 8.230 1.00 52.34 H new ATOM 0 HE2 PHE A 103 -5.067 10.077 5.409 1.00 72.33 H new ATOM 0 HZ PHE A 103 -6.851 10.559 7.065 1.00 72.13 H new ATOM 1490 N LEU A 104 -3.732 2.470 7.198 1.00 63.41 N ATOM 1491 CA LEU A 104 -3.685 1.020 7.417 1.00 35.23 C ATOM 1492 C LEU A 104 -4.214 0.656 8.812 1.00 64.11 C ATOM 1493 O LEU A 104 -4.344 1.519 9.681 1.00 23.25 O ATOM 1494 CB LEU A 104 -2.230 0.529 7.269 1.00 75.23 C ATOM 1495 CG LEU A 104 -1.631 0.718 5.863 1.00 21.52 C ATOM 1496 CD1 LEU A 104 -0.109 0.536 5.871 1.00 44.11 C ATOM 1497 CD2 LEU A 104 -2.298 -0.244 4.877 1.00 40.32 C ATOM 0 H LEU A 104 -2.800 2.878 7.123 1.00 63.41 H new ATOM 0 HA LEU A 104 -4.319 0.535 6.675 1.00 35.23 H new ATOM 0 HB2 LEU A 104 -1.606 1.058 7.990 1.00 75.23 H new ATOM 0 HB3 LEU A 104 -2.189 -0.529 7.528 1.00 75.23 H new ATOM 0 HG LEU A 104 -1.829 1.740 5.541 1.00 21.52 H new ATOM 0 HD11 LEU A 104 0.280 0.676 4.862 1.00 44.11 H new ATOM 0 HD12 LEU A 104 0.342 1.270 6.539 1.00 44.11 H new ATOM 0 HD13 LEU A 104 0.136 -0.468 6.217 1.00 44.11 H new ATOM 0 HD21 LEU A 104 -1.869 -0.104 3.885 1.00 40.32 H new ATOM 0 HD22 LEU A 104 -2.132 -1.271 5.202 1.00 40.32 H new ATOM 0 HD23 LEU A 104 -3.369 -0.043 4.841 1.00 40.32 H new ATOM 1508 N THR A 105 -4.470 -0.631 9.053 1.00 63.42 N ATOM 1509 CA THR A 105 -5.003 -1.163 10.316 1.00 32.20 C ATOM 1510 C THR A 105 -3.944 -2.001 11.068 1.00 21.44 C ATOM 1511 O THR A 105 -4.122 -2.361 12.230 1.00 74.41 O ATOM 1512 CB THR A 105 -6.307 -1.920 9.967 1.00 2.24 C ATOM 1513 OG1 THR A 105 -7.099 -2.242 11.089 1.00 13.03 O ATOM 1514 CG2 THR A 105 -6.089 -3.207 9.165 1.00 15.23 C ATOM 0 H THR A 105 -4.308 -1.357 8.355 1.00 63.42 H new ATOM 0 HA THR A 105 -5.246 -0.370 11.024 1.00 32.20 H new ATOM 0 HB THR A 105 -6.836 -1.197 9.346 1.00 2.24 H new ATOM 0 HG1 THR A 105 -7.905 -2.716 10.795 1.00 13.03 H new ATOM 0 HG21 THR A 105 -7.051 -3.676 8.962 1.00 15.23 H new ATOM 0 HG22 THR A 105 -5.595 -2.969 8.223 1.00 15.23 H new ATOM 0 HG23 THR A 105 -5.465 -3.892 9.739 1.00 15.23 H new ATOM 1522 N GLU A 106 -2.818 -2.277 10.418 1.00 24.14 N ATOM 1523 CA GLU A 106 -1.806 -3.281 10.736 1.00 3.22 C ATOM 1524 C GLU A 106 -0.526 -2.597 11.239 1.00 63.10 C ATOM 1525 O GLU A 106 -0.410 -1.371 11.116 1.00 52.32 O ATOM 1526 CB GLU A 106 -1.567 -4.074 9.445 1.00 24.53 C ATOM 1527 CG GLU A 106 -2.664 -5.121 9.206 1.00 64.12 C ATOM 1528 CD GLU A 106 -2.927 -5.333 7.719 1.00 72.43 C ATOM 1529 OE1 GLU A 106 -3.321 -4.358 7.036 1.00 2.30 O ATOM 1530 OE2 GLU A 106 -2.714 -6.467 7.234 1.00 74.51 O ATOM 0 H GLU A 106 -2.567 -1.756 9.578 1.00 24.14 H new ATOM 0 HA GLU A 106 -2.129 -3.951 11.533 1.00 3.22 H new ATOM 0 HB2 GLU A 106 -1.529 -3.388 8.599 1.00 24.53 H new ATOM 0 HB3 GLU A 106 -0.597 -4.569 9.497 1.00 24.53 H new ATOM 0 HG2 GLU A 106 -2.370 -6.066 9.662 1.00 64.12 H new ATOM 0 HG3 GLU A 106 -3.584 -4.803 9.697 1.00 64.12 H new ATOM 1535 N PRO A 107 0.436 -3.322 11.834 1.00 71.11 N ATOM 1536 CA PRO A 107 1.750 -2.764 12.144 1.00 42.23 C ATOM 1537 C PRO A 107 2.566 -2.480 10.870 1.00 32.34 C ATOM 1538 O PRO A 107 2.133 -2.789 9.753 1.00 1.41 O ATOM 1539 CB PRO A 107 2.409 -3.813 13.038 1.00 0.03 C ATOM 1540 CG PRO A 107 1.816 -5.131 12.544 1.00 40.43 C ATOM 1541 CD PRO A 107 0.398 -4.751 12.131 1.00 32.32 C ATOM 0 HA PRO A 107 1.682 -1.797 12.642 1.00 42.23 H new ATOM 0 HB2 PRO A 107 3.494 -3.800 12.938 1.00 0.03 H new ATOM 0 HB3 PRO A 107 2.183 -3.641 14.090 1.00 0.03 H new ATOM 0 HG2 PRO A 107 2.383 -5.537 11.706 1.00 40.43 H new ATOM 0 HG3 PRO A 107 1.816 -5.890 13.327 1.00 40.43 H new ATOM 0 HD2 PRO A 107 0.079 -5.323 11.259 1.00 32.32 H new ATOM 0 HD3 PRO A 107 -0.312 -4.965 12.930 1.00 32.32 H new ATOM 1546 N VAL A 108 3.756 -1.897 11.037 1.00 1.31 N ATOM 1547 CA VAL A 108 4.698 -1.594 9.964 1.00 43.43 C ATOM 1548 C VAL A 108 6.085 -2.097 10.378 1.00 44.34 C ATOM 1549 O VAL A 108 6.387 -2.182 11.572 1.00 22.45 O ATOM 1550 CB VAL A 108 4.672 -0.076 9.647 1.00 23.41 C ATOM 1551 CG1 VAL A 108 5.746 0.391 8.654 1.00 31.14 C ATOM 1552 CG2 VAL A 108 3.317 0.331 9.058 1.00 75.44 C ATOM 0 H VAL A 108 4.099 -1.615 11.955 1.00 1.31 H new ATOM 0 HA VAL A 108 4.418 -2.104 9.042 1.00 43.43 H new ATOM 0 HB VAL A 108 4.867 0.400 10.608 1.00 23.41 H new ATOM 0 HG11 VAL A 108 5.651 1.465 8.493 1.00 31.14 H new ATOM 0 HG12 VAL A 108 6.735 0.171 9.057 1.00 31.14 H new ATOM 0 HG13 VAL A 108 5.616 -0.131 7.706 1.00 31.14 H new ATOM 0 HG21 VAL A 108 3.320 1.400 8.843 1.00 75.44 H new ATOM 0 HG22 VAL A 108 3.139 -0.224 8.137 1.00 75.44 H new ATOM 0 HG23 VAL A 108 2.527 0.107 9.775 1.00 75.44 H new ATOM 1562 N GLU A 109 6.920 -2.435 9.401 1.00 54.02 N ATOM 1563 CA GLU A 109 8.344 -2.683 9.514 1.00 63.30 C ATOM 1564 C GLU A 109 9.141 -1.702 8.663 1.00 52.23 C ATOM 1565 O GLU A 109 8.630 -1.176 7.672 1.00 34.43 O ATOM 1566 CB GLU A 109 8.588 -4.110 9.030 1.00 4.24 C ATOM 1567 CG GLU A 109 8.575 -5.041 10.228 1.00 21.34 C ATOM 1568 CD GLU A 109 9.947 -5.091 10.904 1.00 75.10 C ATOM 1569 OE1 GLU A 109 10.485 -4.020 11.271 1.00 75.51 O ATOM 1570 OE2 GLU A 109 10.510 -6.205 10.997 1.00 4.05 O ATOM 0 H GLU A 109 6.591 -2.550 8.442 1.00 54.02 H new ATOM 0 HA GLU A 109 8.668 -2.553 10.547 1.00 63.30 H new ATOM 0 HB2 GLU A 109 7.819 -4.403 8.316 1.00 4.24 H new ATOM 0 HB3 GLU A 109 9.545 -4.175 8.512 1.00 4.24 H new ATOM 0 HG2 GLU A 109 7.825 -4.705 10.945 1.00 21.34 H new ATOM 0 HG3 GLU A 109 8.286 -6.043 9.910 1.00 21.34 H new ATOM 1575 N SER A 110 10.404 -1.498 9.042 1.00 71.41 N ATOM 1576 CA SER A 110 11.288 -0.492 8.472 1.00 53.10 C ATOM 1577 C SER A 110 12.422 -1.200 7.746 1.00 22.43 C ATOM 1578 O SER A 110 13.497 -1.374 8.359 1.00 53.43 O ATOM 1579 CB SER A 110 11.816 0.418 9.596 1.00 53.54 C ATOM 1580 OG SER A 110 10.782 0.960 10.406 1.00 41.33 O ATOM 0 H SER A 110 10.849 -2.048 9.777 1.00 71.41 H new ATOM 0 HA SER A 110 10.755 0.135 7.757 1.00 53.10 H new ATOM 0 HB2 SER A 110 12.501 -0.151 10.224 1.00 53.54 H new ATOM 0 HB3 SER A 110 12.390 1.233 9.156 1.00 53.54 H new ATOM 0 HG SER A 110 11.175 1.527 11.102 1.00 41.33 H new