USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1061 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 79 MET CE :methyl -132:sc= -0.015 (180deg=-0.73) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.504 K(o=-0.52,f=-3.2) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.69 K(o=-3.5,f=-5.3) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.81 F(o=-8.2!,f=-3.5) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.475 K(o=0.47,f=-1.7!) USER MOD Single : A 35 SER OG : rot -43:sc= 0.481 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00891 USER MOD Single : A 45 HIS : no HD1:sc=-0.00142 K(o=-0.0014,f=-2.7) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 146:sc= 0.0789 USER MOD Single : A 78 THR OG1 : rot 84:sc= 0.474 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.246 K(o=0.25,f=-0.39) USER MOD Single : A 102 HIS : no HE2:sc= -0.0272 K(o=-0.027,f=-1.4) USER MOD Single : A 103 CYS SG : rot -83:sc= -4.99! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0998 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 CYS SG : rot 93:sc= -2.03! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.1) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.962 13.654 10.010 1.00 44.54 N ATOM 21 CA ALA A 2 -2.656 13.428 8.574 1.00 61.15 C ATOM 22 C ALA A 2 -2.403 11.926 8.229 1.00 22.24 C ATOM 23 O ALA A 2 -1.666 11.602 7.285 1.00 25.31 O ATOM 24 CB ALA A 2 -1.496 14.346 8.131 1.00 3.51 C ATOM 0 HA ALA A 2 -3.542 13.698 7.999 1.00 61.15 H new ATOM 0 HB1 ALA A 2 -1.278 14.174 7.077 1.00 3.51 H new ATOM 0 HB2 ALA A 2 -1.780 15.388 8.277 1.00 3.51 H new ATOM 0 HB3 ALA A 2 -0.610 14.125 8.726 1.00 3.51 H new ATOM 30 N THR A 3 -3.044 11.016 8.997 1.00 53.20 N ATOM 31 CA THR A 3 -3.025 9.559 8.719 1.00 31.21 C ATOM 32 C THR A 3 -4.222 9.162 7.823 1.00 55.00 C ATOM 33 O THR A 3 -5.386 9.326 8.197 1.00 44.43 O ATOM 34 CB THR A 3 -3.048 8.703 10.032 1.00 51.03 C ATOM 35 OG1 THR A 3 -1.882 8.996 10.816 1.00 25.11 O ATOM 36 CG2 THR A 3 -3.101 7.185 9.754 1.00 2.13 C ATOM 0 H THR A 3 -3.587 11.268 9.823 1.00 53.20 H new ATOM 0 HA THR A 3 -2.090 9.350 8.199 1.00 31.21 H new ATOM 0 HB THR A 3 -3.956 8.970 10.572 1.00 51.03 H new ATOM 0 HG1 THR A 3 -1.898 8.462 11.638 1.00 25.11 H new ATOM 0 HG21 THR A 3 -3.115 6.642 10.699 1.00 2.13 H new ATOM 0 HG22 THR A 3 -4.002 6.950 9.187 1.00 2.13 H new ATOM 0 HG23 THR A 3 -2.223 6.890 9.179 1.00 2.13 H new ATOM 44 N LEU A 4 -3.893 8.652 6.637 1.00 43.04 N ATOM 45 CA LEU A 4 -4.849 8.112 5.657 1.00 21.14 C ATOM 46 C LEU A 4 -4.924 6.591 5.850 1.00 50.21 C ATOM 47 O LEU A 4 -3.890 5.937 5.859 1.00 4.34 O ATOM 48 CB LEU A 4 -4.353 8.421 4.211 1.00 54.13 C ATOM 49 CG LEU A 4 -4.516 9.884 3.675 1.00 54.32 C ATOM 50 CD1 LEU A 4 -4.014 10.961 4.656 1.00 70.12 C ATOM 51 CD2 LEU A 4 -3.796 10.028 2.324 1.00 31.41 C ATOM 0 H LEU A 4 -2.926 8.599 6.317 1.00 43.04 H new ATOM 0 HA LEU A 4 -5.829 8.566 5.802 1.00 21.14 H new ATOM 0 HB2 LEU A 4 -3.296 8.162 4.158 1.00 54.13 H new ATOM 0 HB3 LEU A 4 -4.879 7.754 3.528 1.00 54.13 H new ATOM 0 HG LEU A 4 -5.586 10.052 3.556 1.00 54.32 H new ATOM 0 HD11 LEU A 4 -4.159 11.948 4.218 1.00 70.12 H new ATOM 0 HD12 LEU A 4 -4.574 10.893 5.589 1.00 70.12 H new ATOM 0 HD13 LEU A 4 -2.954 10.805 4.857 1.00 70.12 H new ATOM 0 HD21 LEU A 4 -3.913 11.047 1.956 1.00 31.41 H new ATOM 0 HD22 LEU A 4 -2.736 9.807 2.451 1.00 31.41 H new ATOM 0 HD23 LEU A 4 -4.228 9.331 1.605 1.00 31.41 H new ATOM 63 N ARG A 5 -6.129 6.033 6.002 1.00 22.14 N ATOM 64 CA ARG A 5 -6.320 4.572 6.150 1.00 2.22 C ATOM 65 C ARG A 5 -7.466 4.090 5.240 1.00 54.13 C ATOM 66 O ARG A 5 -8.576 4.624 5.287 1.00 71.55 O ATOM 67 CB ARG A 5 -6.602 4.205 7.635 1.00 51.14 C ATOM 68 CG ARG A 5 -6.684 2.682 7.913 1.00 15.31 C ATOM 69 CD ARG A 5 -6.976 2.358 9.389 1.00 33.02 C ATOM 70 NE ARG A 5 -8.299 2.856 9.823 1.00 24.12 N ATOM 71 CZ ARG A 5 -8.722 2.911 11.069 1.00 53.13 C ATOM 72 NH1 ARG A 5 -7.959 2.576 12.063 1.00 54.11 N ATOM 73 NH2 ARG A 5 -9.921 3.322 11.316 1.00 25.54 N ATOM 0 H ARG A 5 -6.997 6.568 6.027 1.00 22.14 H new ATOM 0 HA ARG A 5 -5.403 4.068 5.846 1.00 2.22 H new ATOM 0 HB2 ARG A 5 -5.817 4.634 8.258 1.00 51.14 H new ATOM 0 HB3 ARG A 5 -7.540 4.669 7.939 1.00 51.14 H new ATOM 0 HG2 ARG A 5 -7.464 2.245 7.289 1.00 15.31 H new ATOM 0 HG3 ARG A 5 -5.744 2.213 7.622 1.00 15.31 H new ATOM 0 HD2 ARG A 5 -6.930 1.279 9.538 1.00 33.02 H new ATOM 0 HD3 ARG A 5 -6.201 2.799 10.016 1.00 33.02 H new ATOM 0 HE ARG A 5 -8.937 3.184 9.097 1.00 24.12 H new ATOM 0 HH11 ARG A 5 -7.005 2.260 11.890 1.00 54.11 H new ATOM 0 HH12 ARG A 5 -8.313 2.629 13.018 1.00 54.11 H new ATOM 0 HH21 ARG A 5 -10.533 3.601 10.549 1.00 25.54 H new ATOM 0 HH22 ARG A 5 -10.256 3.368 12.278 1.00 25.54 H new ATOM 87 N ARG A 6 -7.186 3.064 4.426 1.00 51.22 N ATOM 88 CA ARG A 6 -8.153 2.493 3.468 1.00 65.51 C ATOM 89 C ARG A 6 -8.169 0.953 3.638 1.00 31.24 C ATOM 90 O ARG A 6 -7.121 0.347 3.851 1.00 64.32 O ATOM 91 CB ARG A 6 -7.767 2.926 2.001 1.00 32.23 C ATOM 92 CG ARG A 6 -8.956 3.346 1.094 1.00 54.04 C ATOM 93 CD ARG A 6 -9.961 2.210 0.805 1.00 0.21 C ATOM 94 NE ARG A 6 -11.115 2.683 0.012 1.00 42.12 N ATOM 95 CZ ARG A 6 -12.159 1.955 -0.335 1.00 15.32 C ATOM 96 NH1 ARG A 6 -12.283 0.716 0.043 1.00 4.11 N ATOM 97 NH2 ARG A 6 -13.094 2.495 -1.047 1.00 32.42 N ATOM 0 H ARG A 6 -6.277 2.601 4.410 1.00 51.22 H new ATOM 0 HA ARG A 6 -9.158 2.869 3.661 1.00 65.51 H new ATOM 0 HB2 ARG A 6 -7.065 3.758 2.059 1.00 32.23 H new ATOM 0 HB3 ARG A 6 -7.242 2.099 1.523 1.00 32.23 H new ATOM 0 HG2 ARG A 6 -9.485 4.173 1.567 1.00 54.04 H new ATOM 0 HG3 ARG A 6 -8.563 3.718 0.148 1.00 54.04 H new ATOM 0 HD2 ARG A 6 -9.456 1.407 0.268 1.00 0.21 H new ATOM 0 HD3 ARG A 6 -10.315 1.790 1.747 1.00 0.21 H new ATOM 0 HE ARG A 6 -11.103 3.656 -0.293 1.00 42.12 H new ATOM 0 HH11 ARG A 6 -11.562 0.285 0.622 1.00 4.11 H new ATOM 0 HH12 ARG A 6 -13.101 0.176 -0.240 1.00 4.11 H new ATOM 0 HH21 ARG A 6 -13.018 3.471 -1.333 1.00 32.42 H new ATOM 0 HH22 ARG A 6 -13.907 1.945 -1.323 1.00 32.42 H new ATOM 111 N SER A 7 -9.357 0.337 3.558 1.00 41.43 N ATOM 112 CA SER A 7 -9.535 -1.135 3.701 1.00 33.43 C ATOM 113 C SER A 7 -10.607 -1.651 2.714 1.00 3.43 C ATOM 114 O SER A 7 -11.473 -0.883 2.277 1.00 50.14 O ATOM 115 CB SER A 7 -9.916 -1.491 5.156 1.00 21.10 C ATOM 116 OG SER A 7 -11.085 -0.805 5.576 1.00 34.34 O ATOM 0 H SER A 7 -10.230 0.837 3.392 1.00 41.43 H new ATOM 0 HA SER A 7 -8.590 -1.623 3.463 1.00 33.43 H new ATOM 0 HB2 SER A 7 -10.076 -2.566 5.237 1.00 21.10 H new ATOM 0 HB3 SER A 7 -9.089 -1.241 5.820 1.00 21.10 H new ATOM 0 HG SER A 7 -11.297 -1.055 6.499 1.00 34.34 H new ATOM 122 N VAL A 8 -10.544 -2.957 2.363 1.00 35.31 N ATOM 123 CA VAL A 8 -11.428 -3.544 1.323 1.00 71.44 C ATOM 124 C VAL A 8 -11.717 -5.055 1.587 1.00 0.45 C ATOM 125 O VAL A 8 -10.869 -5.768 2.135 1.00 65.33 O ATOM 126 CB VAL A 8 -10.767 -3.341 -0.100 1.00 73.21 C ATOM 127 CG1 VAL A 8 -9.540 -4.275 -0.306 1.00 52.44 C ATOM 128 CG2 VAL A 8 -11.806 -3.478 -1.237 1.00 2.15 C ATOM 0 H VAL A 8 -9.894 -3.623 2.781 1.00 35.31 H new ATOM 0 HA VAL A 8 -12.388 -3.028 1.358 1.00 71.44 H new ATOM 0 HB VAL A 8 -10.391 -2.319 -0.140 1.00 73.21 H new ATOM 0 HG11 VAL A 8 -9.115 -4.105 -1.295 1.00 52.44 H new ATOM 0 HG12 VAL A 8 -8.788 -4.061 0.454 1.00 52.44 H new ATOM 0 HG13 VAL A 8 -9.856 -5.315 -0.221 1.00 52.44 H new ATOM 0 HG21 VAL A 8 -11.314 -3.332 -2.199 1.00 2.15 H new ATOM 0 HG22 VAL A 8 -12.252 -4.472 -1.204 1.00 2.15 H new ATOM 0 HG23 VAL A 8 -12.585 -2.726 -1.110 1.00 2.15 H new ATOM 138 N GLU A 9 -12.920 -5.533 1.190 1.00 41.51 N ATOM 139 CA GLU A 9 -13.313 -6.962 1.317 1.00 64.34 C ATOM 140 C GLU A 9 -12.715 -7.795 0.159 1.00 40.10 C ATOM 141 O GLU A 9 -13.092 -7.604 -1.001 1.00 2.31 O ATOM 142 CB GLU A 9 -14.859 -7.116 1.299 1.00 42.22 C ATOM 143 CG GLU A 9 -15.610 -6.386 2.427 1.00 1.43 C ATOM 144 CD GLU A 9 -17.140 -6.499 2.276 1.00 51.40 C ATOM 145 OE1 GLU A 9 -17.698 -5.885 1.337 1.00 43.14 O ATOM 146 OE2 GLU A 9 -17.784 -7.238 3.052 1.00 54.50 O ATOM 0 H GLU A 9 -13.643 -4.946 0.775 1.00 41.51 H new ATOM 0 HA GLU A 9 -12.926 -7.326 2.269 1.00 64.34 H new ATOM 0 HB2 GLU A 9 -15.232 -6.751 0.342 1.00 42.22 H new ATOM 0 HB3 GLU A 9 -15.102 -8.177 1.352 1.00 42.22 H new ATOM 0 HG2 GLU A 9 -15.310 -6.801 3.389 1.00 1.43 H new ATOM 0 HG3 GLU A 9 -15.324 -5.334 2.431 1.00 1.43 H new ATOM 153 N VAL A 10 -11.788 -8.708 0.482 1.00 33.30 N ATOM 154 CA VAL A 10 -11.124 -9.579 -0.513 1.00 72.23 C ATOM 155 C VAL A 10 -11.660 -11.032 -0.406 1.00 52.01 C ATOM 156 O VAL A 10 -11.613 -11.646 0.672 1.00 3.52 O ATOM 157 CB VAL A 10 -9.568 -9.564 -0.322 1.00 41.03 C ATOM 158 CG1 VAL A 10 -8.858 -10.392 -1.425 1.00 5.55 C ATOM 159 CG2 VAL A 10 -9.036 -8.107 -0.275 1.00 32.52 C ATOM 0 H VAL A 10 -11.474 -8.868 1.439 1.00 33.30 H new ATOM 0 HA VAL A 10 -11.352 -9.191 -1.506 1.00 72.23 H new ATOM 0 HB VAL A 10 -9.339 -10.035 0.634 1.00 41.03 H new ATOM 0 HG11 VAL A 10 -7.780 -10.362 -1.265 1.00 5.55 H new ATOM 0 HG12 VAL A 10 -9.203 -11.425 -1.383 1.00 5.55 H new ATOM 0 HG13 VAL A 10 -9.092 -9.971 -2.403 1.00 5.55 H new ATOM 0 HG21 VAL A 10 -7.954 -8.119 -0.142 1.00 32.52 H new ATOM 0 HG22 VAL A 10 -9.281 -7.600 -1.208 1.00 32.52 H new ATOM 0 HG23 VAL A 10 -9.498 -7.578 0.558 1.00 32.52 H new ATOM 169 N ALA A 11 -12.170 -11.567 -1.532 1.00 13.22 N ATOM 170 CA ALA A 11 -12.742 -12.926 -1.610 1.00 10.14 C ATOM 171 C ALA A 11 -11.648 -14.013 -1.808 1.00 64.15 C ATOM 172 O ALA A 11 -11.584 -14.663 -2.863 1.00 62.13 O ATOM 173 CB ALA A 11 -13.787 -12.955 -2.743 1.00 63.20 C ATOM 0 H ALA A 11 -12.197 -11.065 -2.420 1.00 13.22 H new ATOM 0 HA ALA A 11 -13.226 -13.163 -0.662 1.00 10.14 H new ATOM 0 HB1 ALA A 11 -14.219 -13.953 -2.814 1.00 63.20 H new ATOM 0 HB2 ALA A 11 -14.575 -12.233 -2.530 1.00 63.20 H new ATOM 0 HB3 ALA A 11 -13.307 -12.700 -3.688 1.00 63.20 H new ATOM 179 N ALA A 12 -10.787 -14.184 -0.780 1.00 4.14 N ATOM 180 CA ALA A 12 -9.709 -15.205 -0.762 1.00 11.41 C ATOM 181 C ALA A 12 -9.041 -15.281 0.647 1.00 24.30 C ATOM 182 O ALA A 12 -9.072 -14.296 1.395 1.00 11.44 O ATOM 183 CB ALA A 12 -8.654 -14.916 -1.861 1.00 73.11 C ATOM 0 H ALA A 12 -10.819 -13.616 0.066 1.00 4.14 H new ATOM 0 HA ALA A 12 -10.158 -16.175 -0.975 1.00 11.41 H new ATOM 0 HB1 ALA A 12 -7.875 -15.678 -1.827 1.00 73.11 H new ATOM 0 HB2 ALA A 12 -9.134 -14.931 -2.839 1.00 73.11 H new ATOM 0 HB3 ALA A 12 -8.210 -13.935 -1.690 1.00 73.11 H new ATOM 189 N PRO A 13 -8.461 -16.471 1.043 1.00 62.15 N ATOM 190 CA PRO A 13 -7.675 -16.616 2.314 1.00 4.23 C ATOM 191 C PRO A 13 -6.450 -15.657 2.389 1.00 42.51 C ATOM 192 O PRO A 13 -5.694 -15.536 1.420 1.00 1.33 O ATOM 193 CB PRO A 13 -7.229 -18.108 2.302 1.00 22.42 C ATOM 194 CG PRO A 13 -7.389 -18.551 0.876 1.00 30.32 C ATOM 195 CD PRO A 13 -8.561 -17.773 0.326 1.00 12.11 C ATOM 0 HA PRO A 13 -8.270 -16.350 3.187 1.00 4.23 H new ATOM 0 HB2 PRO A 13 -6.196 -18.214 2.634 1.00 22.42 H new ATOM 0 HB3 PRO A 13 -7.843 -18.709 2.973 1.00 22.42 H new ATOM 0 HG2 PRO A 13 -6.484 -18.351 0.302 1.00 30.32 H new ATOM 0 HG3 PRO A 13 -7.572 -19.624 0.819 1.00 30.32 H new ATOM 0 HD2 PRO A 13 -8.491 -17.646 -0.754 1.00 12.11 H new ATOM 0 HD3 PRO A 13 -9.508 -18.273 0.527 1.00 12.11 H new ATOM 203 N ALA A 14 -6.274 -15.007 3.565 1.00 34.33 N ATOM 204 CA ALA A 14 -5.284 -13.914 3.800 1.00 53.15 C ATOM 205 C ALA A 14 -3.828 -14.234 3.376 1.00 54.33 C ATOM 206 O ALA A 14 -3.120 -13.346 2.904 1.00 72.10 O ATOM 207 CB ALA A 14 -5.317 -13.504 5.284 1.00 24.42 C ATOM 0 H ALA A 14 -6.824 -15.228 4.395 1.00 34.33 H new ATOM 0 HA ALA A 14 -5.595 -13.095 3.151 1.00 53.15 H new ATOM 0 HB1 ALA A 14 -4.595 -12.706 5.457 1.00 24.42 H new ATOM 0 HB2 ALA A 14 -6.316 -13.152 5.542 1.00 24.42 H new ATOM 0 HB3 ALA A 14 -5.064 -14.364 5.905 1.00 24.42 H new ATOM 213 N ALA A 15 -3.389 -15.484 3.589 1.00 72.52 N ATOM 214 CA ALA A 15 -2.025 -15.940 3.203 1.00 55.34 C ATOM 215 C ALA A 15 -1.835 -15.960 1.664 1.00 15.31 C ATOM 216 O ALA A 15 -0.795 -15.528 1.145 1.00 13.24 O ATOM 217 CB ALA A 15 -1.740 -17.325 3.807 1.00 12.23 C ATOM 0 H ALA A 15 -3.956 -16.209 4.029 1.00 72.52 H new ATOM 0 HA ALA A 15 -1.308 -15.224 3.604 1.00 55.34 H new ATOM 0 HB1 ALA A 15 -0.740 -17.649 3.519 1.00 12.23 H new ATOM 0 HB2 ALA A 15 -1.804 -17.268 4.894 1.00 12.23 H new ATOM 0 HB3 ALA A 15 -2.474 -18.041 3.438 1.00 12.23 H new ATOM 223 N ASP A 16 -2.834 -16.505 0.948 1.00 73.52 N ATOM 224 CA ASP A 16 -2.862 -16.524 -0.536 1.00 40.23 C ATOM 225 C ASP A 16 -2.967 -15.099 -1.142 1.00 11.11 C ATOM 226 O ASP A 16 -2.397 -14.824 -2.204 1.00 64.45 O ATOM 227 CB ASP A 16 -4.030 -17.418 -1.007 1.00 50.02 C ATOM 228 CG ASP A 16 -3.856 -18.887 -0.571 1.00 75.10 C ATOM 229 OD1 ASP A 16 -4.072 -19.198 0.623 1.00 51.12 O ATOM 230 OD2 ASP A 16 -3.495 -19.734 -1.412 1.00 3.34 O ATOM 0 H ASP A 16 -3.648 -16.946 1.376 1.00 73.52 H new ATOM 0 HA ASP A 16 -1.918 -16.937 -0.893 1.00 40.23 H new ATOM 0 HB2 ASP A 16 -4.966 -17.031 -0.605 1.00 50.02 H new ATOM 0 HB3 ASP A 16 -4.106 -17.370 -2.093 1.00 50.02 H new ATOM 235 N VAL A 17 -3.699 -14.206 -0.456 1.00 23.44 N ATOM 236 CA VAL A 17 -3.791 -12.770 -0.829 1.00 1.41 C ATOM 237 C VAL A 17 -2.454 -12.042 -0.554 1.00 33.40 C ATOM 238 O VAL A 17 -2.040 -11.158 -1.313 1.00 24.14 O ATOM 239 CB VAL A 17 -4.952 -12.056 -0.049 1.00 62.11 C ATOM 240 CG1 VAL A 17 -5.059 -10.562 -0.438 1.00 11.01 C ATOM 241 CG2 VAL A 17 -6.291 -12.785 -0.285 1.00 50.35 C ATOM 0 H VAL A 17 -4.245 -14.450 0.371 1.00 23.44 H new ATOM 0 HA VAL A 17 -4.007 -12.723 -1.896 1.00 1.41 H new ATOM 0 HB VAL A 17 -4.719 -12.101 1.015 1.00 62.11 H new ATOM 0 HG11 VAL A 17 -5.872 -10.098 0.120 1.00 11.01 H new ATOM 0 HG12 VAL A 17 -4.122 -10.057 -0.202 1.00 11.01 H new ATOM 0 HG13 VAL A 17 -5.258 -10.478 -1.506 1.00 11.01 H new ATOM 0 HG21 VAL A 17 -7.084 -12.276 0.263 1.00 50.35 H new ATOM 0 HG22 VAL A 17 -6.525 -12.780 -1.350 1.00 50.35 H new ATOM 0 HG23 VAL A 17 -6.211 -13.814 0.064 1.00 50.35 H new ATOM 251 N TRP A 18 -1.783 -12.435 0.548 1.00 13.53 N ATOM 252 CA TRP A 18 -0.461 -11.891 0.917 1.00 64.40 C ATOM 253 C TRP A 18 0.598 -12.262 -0.147 1.00 40.13 C ATOM 254 O TRP A 18 1.542 -11.529 -0.340 1.00 31.43 O ATOM 255 CB TRP A 18 -0.022 -12.353 2.342 1.00 62.14 C ATOM 256 CG TRP A 18 1.364 -11.860 2.727 1.00 71.25 C ATOM 257 CD1 TRP A 18 2.515 -12.597 2.795 1.00 41.34 C ATOM 258 CD2 TRP A 18 1.745 -10.504 3.021 1.00 60.13 C ATOM 259 NE1 TRP A 18 3.569 -11.796 3.123 1.00 42.11 N ATOM 260 CE2 TRP A 18 3.125 -10.507 3.269 1.00 33.20 C ATOM 261 CE3 TRP A 18 1.051 -9.293 3.109 1.00 35.21 C ATOM 262 CZ2 TRP A 18 3.826 -9.348 3.588 1.00 2.32 C ATOM 263 CZ3 TRP A 18 1.747 -8.143 3.422 1.00 70.31 C ATOM 264 CH2 TRP A 18 3.123 -8.183 3.658 1.00 2.31 C ATOM 0 H TRP A 18 -2.139 -13.132 1.202 1.00 13.53 H new ATOM 0 HA TRP A 18 -0.546 -10.805 0.947 1.00 64.40 H new ATOM 0 HB2 TRP A 18 -0.746 -11.993 3.073 1.00 62.14 H new ATOM 0 HB3 TRP A 18 -0.039 -13.442 2.386 1.00 62.14 H new ATOM 0 HD1 TRP A 18 2.579 -13.660 2.615 1.00 41.34 H new ATOM 0 HE1 TRP A 18 4.533 -12.106 3.241 1.00 42.11 H new ATOM 0 HE3 TRP A 18 -0.014 -9.258 2.935 1.00 35.21 H new ATOM 0 HZ2 TRP A 18 4.890 -9.371 3.774 1.00 2.32 H new ATOM 0 HZ3 TRP A 18 1.222 -7.202 3.485 1.00 70.31 H new ATOM 0 HH2 TRP A 18 3.642 -7.268 3.902 1.00 2.31 H new ATOM 275 N THR A 19 0.416 -13.401 -0.840 1.00 23.42 N ATOM 276 CA THR A 19 1.296 -13.815 -1.972 1.00 42.31 C ATOM 277 C THR A 19 1.288 -12.753 -3.120 1.00 54.54 C ATOM 278 O THR A 19 2.270 -12.597 -3.849 1.00 55.32 O ATOM 279 CB THR A 19 0.861 -15.217 -2.528 1.00 4.41 C ATOM 280 OG1 THR A 19 0.719 -16.141 -1.432 1.00 44.20 O ATOM 281 CG2 THR A 19 1.871 -15.795 -3.547 1.00 73.14 C ATOM 0 H THR A 19 -0.335 -14.062 -0.641 1.00 23.42 H new ATOM 0 HA THR A 19 2.313 -13.889 -1.587 1.00 42.31 H new ATOM 0 HB THR A 19 -0.087 -15.078 -3.048 1.00 4.41 H new ATOM 0 HG1 THR A 19 0.446 -17.017 -1.776 1.00 44.20 H new ATOM 0 HG21 THR A 19 1.519 -16.765 -3.898 1.00 73.14 H new ATOM 0 HG22 THR A 19 1.963 -15.115 -4.394 1.00 73.14 H new ATOM 0 HG23 THR A 19 2.843 -15.913 -3.069 1.00 73.14 H new ATOM 289 N LEU A 20 0.173 -12.018 -3.242 1.00 13.45 N ATOM 290 CA LEU A 20 0.006 -10.931 -4.237 1.00 42.41 C ATOM 291 C LEU A 20 0.766 -9.636 -3.809 1.00 15.13 C ATOM 292 O LEU A 20 1.419 -8.981 -4.639 1.00 34.22 O ATOM 293 CB LEU A 20 -1.511 -10.669 -4.427 1.00 42.43 C ATOM 294 CG LEU A 20 -1.940 -9.550 -5.430 1.00 51.52 C ATOM 295 CD1 LEU A 20 -1.355 -9.769 -6.836 1.00 71.21 C ATOM 296 CD2 LEU A 20 -3.477 -9.451 -5.489 1.00 12.24 C ATOM 0 H LEU A 20 -0.648 -12.156 -2.652 1.00 13.45 H new ATOM 0 HA LEU A 20 0.443 -11.238 -5.187 1.00 42.41 H new ATOM 0 HB2 LEU A 20 -1.974 -11.602 -4.749 1.00 42.43 H new ATOM 0 HB3 LEU A 20 -1.933 -10.424 -3.452 1.00 42.43 H new ATOM 0 HG LEU A 20 -1.534 -8.608 -5.062 1.00 51.52 H new ATOM 0 HD11 LEU A 20 -1.682 -8.965 -7.495 1.00 71.21 H new ATOM 0 HD12 LEU A 20 -0.266 -9.772 -6.781 1.00 71.21 H new ATOM 0 HD13 LEU A 20 -1.701 -10.725 -7.229 1.00 71.21 H new ATOM 0 HD21 LEU A 20 -3.764 -8.668 -6.191 1.00 12.24 H new ATOM 0 HD22 LEU A 20 -3.891 -10.404 -5.819 1.00 12.24 H new ATOM 0 HD23 LEU A 20 -3.864 -9.211 -4.499 1.00 12.24 H new ATOM 308 N VAL A 21 0.685 -9.297 -2.507 1.00 14.32 N ATOM 309 CA VAL A 21 1.344 -8.087 -1.914 1.00 71.30 C ATOM 310 C VAL A 21 2.625 -8.438 -1.084 1.00 51.10 C ATOM 311 O VAL A 21 3.161 -7.591 -0.357 1.00 51.14 O ATOM 312 CB VAL A 21 0.310 -7.274 -1.027 1.00 34.15 C ATOM 313 CG1 VAL A 21 -0.776 -6.608 -1.905 1.00 3.23 C ATOM 314 CG2 VAL A 21 -0.341 -8.174 0.050 1.00 13.44 C ATOM 0 H VAL A 21 0.163 -9.847 -1.825 1.00 14.32 H new ATOM 0 HA VAL A 21 1.672 -7.465 -2.747 1.00 71.30 H new ATOM 0 HB VAL A 21 0.868 -6.488 -0.517 1.00 34.15 H new ATOM 0 HG11 VAL A 21 -1.470 -6.058 -1.270 1.00 3.23 H new ATOM 0 HG12 VAL A 21 -0.305 -5.921 -2.608 1.00 3.23 H new ATOM 0 HG13 VAL A 21 -1.319 -7.375 -2.457 1.00 3.23 H new ATOM 0 HG21 VAL A 21 -1.044 -7.585 0.640 1.00 13.44 H new ATOM 0 HG22 VAL A 21 -0.871 -8.995 -0.433 1.00 13.44 H new ATOM 0 HG23 VAL A 21 0.433 -8.577 0.704 1.00 13.44 H new ATOM 324 N GLY A 22 3.130 -9.680 -1.242 1.00 44.42 N ATOM 325 CA GLY A 22 4.301 -10.184 -0.487 1.00 15.23 C ATOM 326 C GLY A 22 5.645 -9.956 -1.178 1.00 60.21 C ATOM 327 O GLY A 22 6.680 -10.439 -0.714 1.00 74.33 O ATOM 0 H GLY A 22 2.740 -10.361 -1.894 1.00 44.42 H new ATOM 0 HA2 GLY A 22 4.323 -9.702 0.490 1.00 15.23 H new ATOM 0 HA3 GLY A 22 4.173 -11.252 -0.313 1.00 15.23 H new ATOM 331 N ASP A 23 5.638 -9.214 -2.291 1.00 13.31 N ATOM 332 CA ASP A 23 6.858 -8.668 -2.917 1.00 4.31 C ATOM 333 C ASP A 23 6.712 -7.143 -3.072 1.00 3.11 C ATOM 334 O ASP A 23 5.663 -6.650 -3.504 1.00 63.33 O ATOM 335 CB ASP A 23 7.144 -9.330 -4.292 1.00 61.44 C ATOM 336 CG ASP A 23 7.853 -10.685 -4.176 1.00 21.21 C ATOM 337 OD1 ASP A 23 7.199 -11.693 -3.847 1.00 1.02 O ATOM 338 OD2 ASP A 23 9.080 -10.740 -4.399 1.00 12.33 O ATOM 0 H ASP A 23 4.782 -8.971 -2.790 1.00 13.31 H new ATOM 0 HA ASP A 23 7.706 -8.891 -2.270 1.00 4.31 H new ATOM 0 HB2 ASP A 23 6.203 -9.464 -4.826 1.00 61.44 H new ATOM 0 HB3 ASP A 23 7.757 -8.657 -4.891 1.00 61.44 H new ATOM 343 N PHE A 24 7.782 -6.417 -2.719 1.00 33.53 N ATOM 344 CA PHE A 24 7.858 -4.944 -2.838 1.00 15.53 C ATOM 345 C PHE A 24 7.769 -4.490 -4.331 1.00 13.03 C ATOM 346 O PHE A 24 7.330 -3.373 -4.633 1.00 32.40 O ATOM 347 CB PHE A 24 9.182 -4.484 -2.169 1.00 74.05 C ATOM 348 CG PHE A 24 9.366 -2.980 -1.985 1.00 32.10 C ATOM 349 CD1 PHE A 24 8.326 -2.186 -1.506 1.00 63.11 C ATOM 350 CD2 PHE A 24 10.588 -2.363 -2.260 1.00 43.14 C ATOM 351 CE1 PHE A 24 8.503 -0.834 -1.314 1.00 72.11 C ATOM 352 CE2 PHE A 24 10.757 -1.008 -2.068 1.00 53.30 C ATOM 353 CZ PHE A 24 9.713 -0.244 -1.592 1.00 73.45 C ATOM 0 H PHE A 24 8.631 -6.835 -2.338 1.00 33.53 H new ATOM 0 HA PHE A 24 7.011 -4.479 -2.333 1.00 15.53 H new ATOM 0 HB2 PHE A 24 9.252 -4.958 -1.190 1.00 74.05 H new ATOM 0 HB3 PHE A 24 10.014 -4.859 -2.765 1.00 74.05 H new ATOM 0 HD1 PHE A 24 7.370 -2.636 -1.283 1.00 63.11 H new ATOM 0 HD2 PHE A 24 11.413 -2.955 -2.628 1.00 43.14 H new ATOM 0 HE1 PHE A 24 7.686 -0.233 -0.943 1.00 72.11 H new ATOM 0 HE2 PHE A 24 11.707 -0.545 -2.291 1.00 53.30 H new ATOM 0 HZ PHE A 24 9.846 0.817 -1.438 1.00 73.45 H new ATOM 363 N SER A 25 8.157 -5.402 -5.250 1.00 73.43 N ATOM 364 CA SER A 25 8.100 -5.187 -6.721 1.00 63.15 C ATOM 365 C SER A 25 6.748 -5.632 -7.343 1.00 72.13 C ATOM 366 O SER A 25 6.397 -5.200 -8.443 1.00 65.45 O ATOM 367 CB SER A 25 9.243 -5.973 -7.400 1.00 25.33 C ATOM 368 OG SER A 25 9.128 -7.368 -7.158 1.00 21.25 O ATOM 0 H SER A 25 8.523 -6.319 -4.993 1.00 73.43 H new ATOM 0 HA SER A 25 8.205 -4.115 -6.891 1.00 63.15 H new ATOM 0 HB2 SER A 25 9.227 -5.786 -8.474 1.00 25.33 H new ATOM 0 HB3 SER A 25 10.203 -5.616 -7.028 1.00 25.33 H new ATOM 0 HG SER A 25 9.864 -7.839 -7.602 1.00 21.25 H new ATOM 374 N ALA A 26 5.953 -6.441 -6.607 1.00 60.44 N ATOM 375 CA ALA A 26 4.760 -7.148 -7.174 1.00 61.24 C ATOM 376 C ALA A 26 3.519 -6.241 -7.232 1.00 22.41 C ATOM 377 O ALA A 26 2.432 -6.685 -7.630 1.00 32.52 O ATOM 378 CB ALA A 26 4.445 -8.400 -6.346 1.00 13.23 C ATOM 0 H ALA A 26 6.108 -6.627 -5.616 1.00 60.44 H new ATOM 0 HA ALA A 26 5.011 -7.433 -8.196 1.00 61.24 H new ATOM 0 HB1 ALA A 26 3.576 -8.906 -6.767 1.00 13.23 H new ATOM 0 HB2 ALA A 26 5.302 -9.074 -6.365 1.00 13.23 H new ATOM 0 HB3 ALA A 26 4.233 -8.112 -5.316 1.00 13.23 H new ATOM 384 N ILE A 27 3.708 -4.973 -6.849 1.00 2.31 N ATOM 385 CA ILE A 27 2.644 -3.974 -6.765 1.00 52.31 C ATOM 386 C ILE A 27 2.003 -3.657 -8.151 1.00 75.04 C ATOM 387 O ILE A 27 0.844 -3.266 -8.213 1.00 20.53 O ATOM 388 CB ILE A 27 3.164 -2.676 -6.028 1.00 33.31 C ATOM 389 CG1 ILE A 27 1.982 -1.693 -5.760 1.00 63.41 C ATOM 390 CG2 ILE A 27 4.312 -2.002 -6.814 1.00 33.33 C ATOM 391 CD1 ILE A 27 2.269 -0.525 -4.834 1.00 53.31 C ATOM 0 H ILE A 27 4.623 -4.609 -6.584 1.00 2.31 H new ATOM 0 HA ILE A 27 1.838 -4.399 -6.166 1.00 52.31 H new ATOM 0 HB ILE A 27 3.577 -2.970 -5.063 1.00 33.31 H new ATOM 0 HG12 ILE A 27 1.646 -1.295 -6.717 1.00 63.41 H new ATOM 0 HG13 ILE A 27 1.152 -2.263 -5.343 1.00 63.41 H new ATOM 0 HG21 ILE A 27 4.646 -1.113 -6.279 1.00 33.33 H new ATOM 0 HG22 ILE A 27 5.144 -2.700 -6.913 1.00 33.33 H new ATOM 0 HG23 ILE A 27 3.957 -1.718 -7.805 1.00 33.33 H new ATOM 0 HD11 ILE A 27 1.371 0.084 -4.727 1.00 53.31 H new ATOM 0 HD12 ILE A 27 2.570 -0.901 -3.856 1.00 53.31 H new ATOM 0 HD13 ILE A 27 3.072 0.082 -5.252 1.00 53.31 H new ATOM 403 N HIS A 28 2.740 -3.907 -9.259 1.00 60.00 N ATOM 404 CA HIS A 28 2.207 -3.712 -10.640 1.00 23.23 C ATOM 405 C HIS A 28 1.024 -4.669 -10.971 1.00 64.02 C ATOM 406 O HIS A 28 0.215 -4.374 -11.857 1.00 72.22 O ATOM 407 CB HIS A 28 3.345 -3.869 -11.690 1.00 40.02 C ATOM 408 CG HIS A 28 3.949 -5.251 -11.785 1.00 24.42 C ATOM 409 ND1 HIS A 28 4.918 -5.710 -10.924 1.00 71.31 N ATOM 410 CD2 HIS A 28 3.709 -6.276 -12.642 1.00 44.21 C ATOM 411 CE1 HIS A 28 5.251 -6.939 -11.248 1.00 13.41 C ATOM 412 NE2 HIS A 28 4.535 -7.310 -12.283 1.00 51.31 N ATOM 0 H HIS A 28 3.703 -4.243 -9.230 1.00 60.00 H new ATOM 0 HA HIS A 28 1.813 -2.697 -10.685 1.00 23.23 H new ATOM 0 HB2 HIS A 28 2.954 -3.593 -12.669 1.00 40.02 H new ATOM 0 HB3 HIS A 28 4.137 -3.160 -11.452 1.00 40.02 H new ATOM 0 HD1 HIS A 28 5.318 -5.177 -10.151 1.00 71.31 H new ATOM 0 HD2 HIS A 28 2.999 -6.277 -13.456 1.00 44.21 H new ATOM 0 HE1 HIS A 28 5.991 -7.544 -10.746 1.00 13.41 H new ATOM 421 N ARG A 29 0.942 -5.811 -10.253 1.00 43.34 N ATOM 422 CA ARG A 29 -0.093 -6.848 -10.496 1.00 64.34 C ATOM 423 C ARG A 29 -1.490 -6.423 -9.982 1.00 63.42 C ATOM 424 O ARG A 29 -2.502 -6.667 -10.648 1.00 4.55 O ATOM 425 CB ARG A 29 0.329 -8.194 -9.846 1.00 12.20 C ATOM 426 CG ARG A 29 1.685 -8.747 -10.342 1.00 3.22 C ATOM 427 CD ARG A 29 2.002 -10.144 -9.776 1.00 33.42 C ATOM 428 NE ARG A 29 2.114 -10.167 -8.301 1.00 23.54 N ATOM 429 CZ ARG A 29 2.396 -11.241 -7.581 1.00 60.21 C ATOM 430 NH1 ARG A 29 2.562 -12.410 -8.129 1.00 34.11 N ATOM 431 NH2 ARG A 29 2.518 -11.128 -6.304 1.00 44.11 N ATOM 0 H ARG A 29 1.584 -6.041 -9.495 1.00 43.34 H new ATOM 0 HA ARG A 29 -0.171 -6.973 -11.576 1.00 64.34 H new ATOM 0 HB2 ARG A 29 0.378 -8.062 -8.765 1.00 12.20 H new ATOM 0 HB3 ARG A 29 -0.445 -8.936 -10.041 1.00 12.20 H new ATOM 0 HG2 ARG A 29 1.677 -8.794 -11.431 1.00 3.22 H new ATOM 0 HG3 ARG A 29 2.479 -8.056 -10.059 1.00 3.22 H new ATOM 0 HD2 ARG A 29 1.221 -10.839 -10.085 1.00 33.42 H new ATOM 0 HD3 ARG A 29 2.936 -10.501 -10.210 1.00 33.42 H new ATOM 0 HE ARG A 29 1.963 -9.290 -7.802 1.00 23.54 H new ATOM 0 HH11 ARG A 29 2.475 -12.516 -9.140 1.00 34.11 H new ATOM 0 HH12 ARG A 29 2.779 -13.220 -7.548 1.00 34.11 H new ATOM 0 HH21 ARG A 29 2.397 -10.218 -5.859 1.00 44.11 H new ATOM 0 HH22 ARG A 29 2.735 -11.948 -5.738 1.00 44.11 H new ATOM 445 N TRP A 30 -1.539 -5.754 -8.813 1.00 30.34 N ATOM 446 CA TRP A 30 -2.822 -5.402 -8.143 1.00 20.24 C ATOM 447 C TRP A 30 -3.115 -3.891 -8.250 1.00 5.24 C ATOM 448 O TRP A 30 -4.282 -3.478 -8.271 1.00 11.20 O ATOM 449 CB TRP A 30 -2.825 -5.855 -6.659 1.00 45.13 C ATOM 450 CG TRP A 30 -1.795 -5.185 -5.780 1.00 43.53 C ATOM 451 CD1 TRP A 30 -0.474 -5.500 -5.672 1.00 10.42 C ATOM 452 CD2 TRP A 30 -2.018 -4.095 -4.868 1.00 72.41 C ATOM 453 NE1 TRP A 30 0.132 -4.662 -4.776 1.00 21.14 N ATOM 454 CE2 TRP A 30 -0.792 -3.799 -4.268 1.00 43.42 C ATOM 455 CE3 TRP A 30 -3.137 -3.343 -4.512 1.00 22.02 C ATOM 456 CZ2 TRP A 30 -0.645 -2.786 -3.328 1.00 45.31 C ATOM 457 CZ3 TRP A 30 -2.995 -2.338 -3.577 1.00 71.22 C ATOM 458 CH2 TRP A 30 -1.752 -2.067 -2.996 1.00 11.33 C ATOM 0 H TRP A 30 -0.709 -5.443 -8.308 1.00 30.34 H new ATOM 0 HA TRP A 30 -3.617 -5.938 -8.662 1.00 20.24 H new ATOM 0 HB2 TRP A 30 -3.814 -5.667 -6.240 1.00 45.13 H new ATOM 0 HB3 TRP A 30 -2.663 -6.932 -6.624 1.00 45.13 H new ATOM 0 HD1 TRP A 30 0.021 -6.293 -6.213 1.00 10.42 H new ATOM 0 HE1 TRP A 30 1.121 -4.680 -4.527 1.00 21.14 H new ATOM 0 HE3 TRP A 30 -4.099 -3.544 -4.961 1.00 22.02 H new ATOM 0 HZ2 TRP A 30 0.314 -2.577 -2.877 1.00 45.31 H new ATOM 0 HZ3 TRP A 30 -3.856 -1.752 -3.290 1.00 71.22 H new ATOM 0 HH2 TRP A 30 -1.669 -1.272 -2.270 1.00 11.33 H new ATOM 469 N HIS A 31 -2.042 -3.071 -8.304 1.00 64.43 N ATOM 470 CA HIS A 31 -2.145 -1.599 -8.424 1.00 33.43 C ATOM 471 C HIS A 31 -1.907 -1.170 -9.907 1.00 62.45 C ATOM 472 O HIS A 31 -0.754 -1.149 -10.363 1.00 75.45 O ATOM 473 CB HIS A 31 -1.133 -0.900 -7.482 1.00 25.20 C ATOM 474 CG HIS A 31 -1.473 0.535 -7.205 1.00 72.04 C ATOM 475 ND1 HIS A 31 -0.977 1.574 -7.959 1.00 40.52 N ATOM 476 CD2 HIS A 31 -2.284 1.034 -6.254 1.00 64.42 C ATOM 477 CE1 HIS A 31 -1.503 2.666 -7.441 1.00 75.13 C ATOM 478 NE2 HIS A 31 -2.299 2.384 -6.408 1.00 61.41 N ATOM 0 H HIS A 31 -1.081 -3.410 -8.266 1.00 64.43 H new ATOM 0 HA HIS A 31 -3.147 -1.292 -8.126 1.00 33.43 H new ATOM 0 HB2 HIS A 31 -1.090 -1.444 -6.539 1.00 25.20 H new ATOM 0 HB3 HIS A 31 -0.139 -0.951 -7.926 1.00 25.20 H new ATOM 0 HD2 HIS A 31 -2.822 0.468 -5.508 1.00 64.42 H new ATOM 0 HE1 HIS A 31 -1.313 3.664 -7.807 1.00 75.13 H new ATOM 0 HE2 HIS A 31 -2.820 3.054 -5.842 1.00 61.41 H new ATOM 486 N PRO A 32 -2.998 -0.844 -10.690 1.00 63.33 N ATOM 487 CA PRO A 32 -2.914 -0.600 -12.178 1.00 35.02 C ATOM 488 C PRO A 32 -2.023 0.600 -12.626 1.00 1.35 C ATOM 489 O PRO A 32 -1.696 0.719 -13.811 1.00 0.32 O ATOM 490 CB PRO A 32 -4.406 -0.365 -12.581 1.00 44.53 C ATOM 491 CG PRO A 32 -5.205 -0.979 -11.471 1.00 20.44 C ATOM 492 CD PRO A 32 -4.407 -0.721 -10.216 1.00 42.34 C ATOM 0 HA PRO A 32 -2.426 -1.443 -12.668 1.00 35.02 H new ATOM 0 HB2 PRO A 32 -4.625 0.698 -12.685 1.00 44.53 H new ATOM 0 HB3 PRO A 32 -4.635 -0.832 -13.539 1.00 44.53 H new ATOM 0 HG2 PRO A 32 -6.197 -0.531 -11.406 1.00 20.44 H new ATOM 0 HG3 PRO A 32 -5.348 -2.047 -11.634 1.00 20.44 H new ATOM 0 HD2 PRO A 32 -4.610 0.267 -9.803 1.00 42.34 H new ATOM 0 HD3 PRO A 32 -4.636 -1.446 -9.435 1.00 42.34 H new ATOM 500 N GLN A 33 -1.632 1.473 -11.684 1.00 50.13 N ATOM 501 CA GLN A 33 -0.858 2.713 -11.985 1.00 72.30 C ATOM 502 C GLN A 33 0.655 2.430 -12.088 1.00 3.30 C ATOM 503 O GLN A 33 1.388 3.169 -12.759 1.00 74.52 O ATOM 504 CB GLN A 33 -1.131 3.806 -10.904 1.00 4.52 C ATOM 505 CG GLN A 33 -2.534 4.472 -10.963 1.00 63.14 C ATOM 506 CD GLN A 33 -3.729 3.526 -10.765 1.00 13.44 C ATOM 507 OE1 GLN A 33 -3.583 2.515 -9.927 1.00 15.32 O flip ATOM 508 NE2 GLN A 33 -4.790 3.718 -11.345 1.00 0.40 N flip ATOM 0 H GLN A 33 -1.837 1.350 -10.692 1.00 50.13 H new ATOM 0 HA GLN A 33 -1.195 3.081 -12.954 1.00 72.30 H new ATOM 0 HB2 GLN A 33 -1.002 3.358 -9.919 1.00 4.52 H new ATOM 0 HB3 GLN A 33 -0.374 4.585 -11.001 1.00 4.52 H new ATOM 0 HG2 GLN A 33 -2.579 5.250 -10.200 1.00 63.14 H new ATOM 0 HG3 GLN A 33 -2.641 4.966 -11.929 1.00 63.14 H new ATOM 0 HE21 GLN A 33 -4.885 4.504 -11.989 1.00 0.40 H new ATOM 0 HE22 GLN A 33 -5.579 3.092 -11.185 1.00 0.40 H new ATOM 517 N VAL A 34 1.113 1.367 -11.411 1.00 2.03 N ATOM 518 CA VAL A 34 2.536 0.979 -11.397 1.00 41.41 C ATOM 519 C VAL A 34 2.975 0.373 -12.763 1.00 53.52 C ATOM 520 O VAL A 34 2.496 -0.691 -13.169 1.00 71.02 O ATOM 521 CB VAL A 34 2.803 -0.040 -10.233 1.00 25.31 C ATOM 522 CG1 VAL A 34 4.276 -0.524 -10.223 1.00 64.22 C ATOM 523 CG2 VAL A 34 2.395 0.570 -8.865 1.00 62.11 C ATOM 0 H VAL A 34 0.513 0.753 -10.860 1.00 2.03 H new ATOM 0 HA VAL A 34 3.130 1.877 -11.229 1.00 41.41 H new ATOM 0 HB VAL A 34 2.181 -0.918 -10.409 1.00 25.31 H new ATOM 0 HG11 VAL A 34 4.422 -1.228 -9.404 1.00 64.22 H new ATOM 0 HG12 VAL A 34 4.504 -1.016 -11.169 1.00 64.22 H new ATOM 0 HG13 VAL A 34 4.939 0.331 -10.090 1.00 64.22 H new ATOM 0 HG21 VAL A 34 2.588 -0.153 -8.072 1.00 62.11 H new ATOM 0 HG22 VAL A 34 2.976 1.474 -8.682 1.00 62.11 H new ATOM 0 HG23 VAL A 34 1.334 0.818 -8.879 1.00 62.11 H new ATOM 533 N SER A 35 3.908 1.069 -13.449 1.00 30.21 N ATOM 534 CA SER A 35 4.441 0.660 -14.782 1.00 40.23 C ATOM 535 C SER A 35 5.765 -0.147 -14.652 1.00 60.41 C ATOM 536 O SER A 35 6.615 -0.125 -15.553 1.00 33.44 O ATOM 537 CB SER A 35 4.651 1.928 -15.649 1.00 74.43 C ATOM 538 OG SER A 35 4.986 1.609 -16.995 1.00 74.42 O ATOM 0 H SER A 35 4.319 1.934 -13.099 1.00 30.21 H new ATOM 0 HA SER A 35 3.717 0.001 -15.262 1.00 40.23 H new ATOM 0 HB2 SER A 35 3.742 2.530 -15.635 1.00 74.43 H new ATOM 0 HB3 SER A 35 5.443 2.537 -15.214 1.00 74.43 H new ATOM 0 HG SER A 35 5.641 0.880 -17.005 1.00 74.42 H new ATOM 544 N ALA A 36 5.892 -0.881 -13.523 1.00 62.32 N ATOM 545 CA ALA A 36 7.059 -1.742 -13.182 1.00 70.43 C ATOM 546 C ALA A 36 8.359 -0.914 -12.907 1.00 4.24 C ATOM 547 O ALA A 36 9.038 -0.496 -13.850 1.00 53.44 O ATOM 548 CB ALA A 36 7.301 -2.841 -14.243 1.00 20.41 C ATOM 0 H ALA A 36 5.170 -0.895 -12.802 1.00 62.32 H new ATOM 0 HA ALA A 36 6.802 -2.242 -12.248 1.00 70.43 H new ATOM 0 HB1 ALA A 36 8.161 -3.444 -13.953 1.00 20.41 H new ATOM 0 HB2 ALA A 36 6.419 -3.478 -14.315 1.00 20.41 H new ATOM 0 HB3 ALA A 36 7.493 -2.377 -15.210 1.00 20.41 H new ATOM 554 N PRO A 37 8.709 -0.650 -11.601 1.00 12.21 N ATOM 555 CA PRO A 37 9.944 0.103 -11.217 1.00 34.11 C ATOM 556 C PRO A 37 11.256 -0.738 -11.290 1.00 62.41 C ATOM 557 O PRO A 37 11.272 -1.858 -11.809 1.00 31.31 O ATOM 558 CB PRO A 37 9.619 0.526 -9.760 1.00 53.44 C ATOM 559 CG PRO A 37 8.766 -0.591 -9.233 1.00 75.41 C ATOM 560 CD PRO A 37 7.913 -1.035 -10.399 1.00 71.15 C ATOM 0 HA PRO A 37 10.152 0.928 -11.898 1.00 34.11 H new ATOM 0 HB2 PRO A 37 10.527 0.647 -9.169 1.00 53.44 H new ATOM 0 HB3 PRO A 37 9.090 1.479 -9.731 1.00 53.44 H new ATOM 0 HG2 PRO A 37 9.380 -1.411 -8.862 1.00 75.41 H new ATOM 0 HG3 PRO A 37 8.148 -0.253 -8.401 1.00 75.41 H new ATOM 0 HD2 PRO A 37 7.728 -2.109 -10.371 1.00 71.15 H new ATOM 0 HD3 PRO A 37 6.940 -0.543 -10.391 1.00 71.15 H new ATOM 568 N THR A 38 12.361 -0.154 -10.782 1.00 50.33 N ATOM 569 CA THR A 38 13.692 -0.819 -10.713 1.00 21.50 C ATOM 570 C THR A 38 14.126 -1.021 -9.243 1.00 4.54 C ATOM 571 O THR A 38 14.218 -0.054 -8.488 1.00 3.13 O ATOM 572 CB THR A 38 14.772 0.029 -11.470 1.00 40.54 C ATOM 573 OG1 THR A 38 14.401 0.151 -12.855 1.00 40.34 O ATOM 574 CG2 THR A 38 16.191 -0.575 -11.371 1.00 13.10 C ATOM 0 H THR A 38 12.362 0.794 -10.406 1.00 50.33 H new ATOM 0 HA THR A 38 13.606 -1.794 -11.193 1.00 21.50 H new ATOM 0 HB THR A 38 14.805 1.007 -10.990 1.00 40.54 H new ATOM 0 HG1 THR A 38 15.075 0.682 -13.329 1.00 40.34 H new ATOM 0 HG21 THR A 38 16.894 0.056 -11.914 1.00 13.10 H new ATOM 0 HG22 THR A 38 16.490 -0.633 -10.324 1.00 13.10 H new ATOM 0 HG23 THR A 38 16.192 -1.575 -11.804 1.00 13.10 H new ATOM 582 N LEU A 39 14.433 -2.277 -8.864 1.00 73.42 N ATOM 583 CA LEU A 39 14.780 -2.645 -7.467 1.00 71.22 C ATOM 584 C LEU A 39 16.303 -2.547 -7.222 1.00 40.30 C ATOM 585 O LEU A 39 17.114 -3.130 -7.952 1.00 54.33 O ATOM 586 CB LEU A 39 14.226 -4.067 -7.106 1.00 15.20 C ATOM 587 CG LEU A 39 12.816 -4.100 -6.428 1.00 4.01 C ATOM 588 CD1 LEU A 39 12.870 -3.534 -4.996 1.00 54.22 C ATOM 589 CD2 LEU A 39 11.762 -3.353 -7.272 1.00 0.33 C ATOM 0 H LEU A 39 14.449 -3.066 -9.511 1.00 73.42 H new ATOM 0 HA LEU A 39 14.300 -1.927 -6.802 1.00 71.22 H new ATOM 0 HB2 LEU A 39 14.183 -4.661 -8.019 1.00 15.20 H new ATOM 0 HB3 LEU A 39 14.939 -4.555 -6.441 1.00 15.20 H new ATOM 0 HG LEU A 39 12.513 -5.145 -6.367 1.00 4.01 H new ATOM 0 HD11 LEU A 39 11.875 -3.571 -4.552 1.00 54.22 H new ATOM 0 HD12 LEU A 39 13.557 -4.129 -4.395 1.00 54.22 H new ATOM 0 HD13 LEU A 39 13.216 -2.501 -5.026 1.00 54.22 H new ATOM 0 HD21 LEU A 39 10.796 -3.397 -6.770 1.00 0.33 H new ATOM 0 HD22 LEU A 39 12.062 -2.312 -7.391 1.00 0.33 H new ATOM 0 HD23 LEU A 39 11.683 -3.822 -8.253 1.00 0.33 H new ATOM 601 N ARG A 40 16.664 -1.792 -6.175 1.00 4.23 N ATOM 602 CA ARG A 40 18.061 -1.531 -5.773 1.00 1.21 C ATOM 603 C ARG A 40 18.362 -2.231 -4.420 1.00 4.53 C ATOM 604 O ARG A 40 17.484 -2.301 -3.566 1.00 1.32 O ATOM 605 CB ARG A 40 18.283 0.002 -5.626 1.00 44.44 C ATOM 606 CG ARG A 40 17.950 0.857 -6.871 1.00 63.31 C ATOM 607 CD ARG A 40 18.804 0.499 -8.106 1.00 2.12 C ATOM 608 NE ARG A 40 18.689 1.515 -9.164 1.00 34.32 N ATOM 609 CZ ARG A 40 19.274 1.474 -10.343 1.00 53.23 C ATOM 610 NH1 ARG A 40 19.962 0.441 -10.730 1.00 2.20 N ATOM 611 NH2 ARG A 40 19.155 2.489 -11.132 1.00 11.33 N ATOM 0 H ARG A 40 15.983 -1.335 -5.569 1.00 4.23 H new ATOM 0 HA ARG A 40 18.732 -1.925 -6.537 1.00 1.21 H new ATOM 0 HB2 ARG A 40 17.678 0.359 -4.792 1.00 44.44 H new ATOM 0 HB3 ARG A 40 19.326 0.174 -5.360 1.00 44.44 H new ATOM 0 HG2 ARG A 40 16.896 0.731 -7.118 1.00 63.31 H new ATOM 0 HG3 ARG A 40 18.097 1.910 -6.630 1.00 63.31 H new ATOM 0 HD2 ARG A 40 19.848 0.400 -7.809 1.00 2.12 H new ATOM 0 HD3 ARG A 40 18.490 -0.469 -8.496 1.00 2.12 H new ATOM 0 HE ARG A 40 18.102 2.326 -8.966 1.00 34.32 H new ATOM 0 HH11 ARG A 40 20.060 -0.366 -10.114 1.00 2.20 H new ATOM 0 HH12 ARG A 40 20.404 0.438 -11.649 1.00 2.20 H new ATOM 0 HH21 ARG A 40 18.615 3.303 -10.838 1.00 11.33 H new ATOM 0 HH22 ARG A 40 19.601 2.477 -12.049 1.00 11.33 H new ATOM 625 N GLY A 41 19.628 -2.661 -4.239 1.00 13.33 N ATOM 626 CA GLY A 41 20.131 -3.330 -3.011 1.00 23.23 C ATOM 627 C GLY A 41 19.292 -4.512 -2.433 1.00 64.01 C ATOM 628 O GLY A 41 18.129 -4.361 -2.051 1.00 53.45 O ATOM 0 H GLY A 41 20.347 -2.553 -4.954 1.00 13.33 H new ATOM 0 HA2 GLY A 41 21.135 -3.701 -3.219 1.00 23.23 H new ATOM 0 HA3 GLY A 41 20.226 -2.574 -2.232 1.00 23.23 H new ATOM 632 N ALA A 42 19.955 -5.687 -2.348 1.00 1.31 N ATOM 633 CA ALA A 42 19.436 -6.923 -1.713 1.00 74.15 C ATOM 634 C ALA A 42 18.262 -7.598 -2.495 1.00 22.21 C ATOM 635 O ALA A 42 18.507 -8.307 -3.483 1.00 41.43 O ATOM 636 CB ALA A 42 19.100 -6.703 -0.217 1.00 74.22 C ATOM 0 H ALA A 42 20.893 -5.807 -2.730 1.00 1.31 H new ATOM 0 HA ALA A 42 20.253 -7.642 -1.763 1.00 74.15 H new ATOM 0 HB1 ALA A 42 18.723 -7.632 0.212 1.00 74.22 H new ATOM 0 HB2 ALA A 42 20.000 -6.396 0.317 1.00 74.22 H new ATOM 0 HB3 ALA A 42 18.341 -5.926 -0.125 1.00 74.22 H new ATOM 642 N SER A 43 16.996 -7.353 -2.076 1.00 62.35 N ATOM 643 CA SER A 43 15.814 -8.153 -2.526 1.00 33.25 C ATOM 644 C SER A 43 14.473 -7.479 -2.114 1.00 52.24 C ATOM 645 O SER A 43 14.412 -6.873 -1.047 1.00 23.44 O ATOM 646 CB SER A 43 15.875 -9.577 -1.901 1.00 42.15 C ATOM 647 OG SER A 43 14.753 -10.374 -2.262 1.00 54.50 O ATOM 0 H SER A 43 16.760 -6.605 -1.424 1.00 62.35 H new ATOM 0 HA SER A 43 15.851 -8.212 -3.614 1.00 33.25 H new ATOM 0 HB2 SER A 43 16.790 -10.074 -2.224 1.00 42.15 H new ATOM 0 HB3 SER A 43 15.924 -9.493 -0.815 1.00 42.15 H new ATOM 0 HG SER A 43 14.834 -11.259 -1.849 1.00 54.50 H new ATOM 653 N PRO A 44 13.364 -7.603 -2.937 1.00 62.42 N ATOM 654 CA PRO A 44 11.995 -7.065 -2.586 1.00 23.45 C ATOM 655 C PRO A 44 11.339 -7.696 -1.314 1.00 53.55 C ATOM 656 O PRO A 44 10.209 -7.340 -0.951 1.00 62.20 O ATOM 657 CB PRO A 44 11.156 -7.379 -3.863 1.00 32.13 C ATOM 658 CG PRO A 44 11.884 -8.517 -4.510 1.00 21.02 C ATOM 659 CD PRO A 44 13.350 -8.225 -4.291 1.00 64.54 C ATOM 0 HA PRO A 44 12.052 -6.008 -2.325 1.00 23.45 H new ATOM 0 HB2 PRO A 44 10.132 -7.654 -3.609 1.00 32.13 H new ATOM 0 HB3 PRO A 44 11.099 -6.515 -4.525 1.00 32.13 H new ATOM 0 HG2 PRO A 44 11.601 -9.470 -4.063 1.00 21.02 H new ATOM 0 HG3 PRO A 44 11.650 -8.581 -5.573 1.00 21.02 H new ATOM 0 HD2 PRO A 44 13.953 -9.133 -4.325 1.00 64.54 H new ATOM 0 HD3 PRO A 44 13.746 -7.550 -5.050 1.00 64.54 H new ATOM 667 N HIS A 45 12.027 -8.656 -0.678 1.00 34.50 N ATOM 668 CA HIS A 45 11.630 -9.214 0.640 1.00 53.34 C ATOM 669 C HIS A 45 12.482 -8.614 1.783 1.00 64.23 C ATOM 670 O HIS A 45 12.047 -8.568 2.936 1.00 21.34 O ATOM 671 CB HIS A 45 11.770 -10.752 0.622 1.00 11.54 C ATOM 672 CG HIS A 45 10.811 -11.432 -0.312 1.00 22.44 C ATOM 673 ND1 HIS A 45 9.641 -12.006 0.117 1.00 51.45 N ATOM 674 CD2 HIS A 45 10.838 -11.609 -1.650 1.00 40.45 C ATOM 675 CE1 HIS A 45 8.996 -12.508 -0.904 1.00 53.31 C ATOM 676 NE2 HIS A 45 9.693 -12.284 -1.991 1.00 14.31 N ATOM 0 H HIS A 45 12.877 -9.073 -1.057 1.00 34.50 H new ATOM 0 HA HIS A 45 10.589 -8.948 0.823 1.00 53.34 H new ATOM 0 HB2 HIS A 45 12.789 -11.012 0.336 1.00 11.54 H new ATOM 0 HB3 HIS A 45 11.615 -11.134 1.631 1.00 11.54 H new ATOM 0 HD2 HIS A 45 11.615 -11.281 -2.325 1.00 40.45 H new ATOM 0 HE1 HIS A 45 8.047 -13.022 -0.859 1.00 53.31 H new ATOM 0 HE2 HIS A 45 9.428 -12.565 -2.935 1.00 14.31 H new ATOM 685 N THR A 46 13.694 -8.149 1.444 1.00 45.34 N ATOM 686 CA THR A 46 14.691 -7.661 2.427 1.00 42.34 C ATOM 687 C THR A 46 14.586 -6.123 2.639 1.00 2.40 C ATOM 688 O THR A 46 14.641 -5.366 1.661 1.00 52.20 O ATOM 689 CB THR A 46 16.143 -8.014 1.962 1.00 5.12 C ATOM 690 OG1 THR A 46 16.228 -9.422 1.675 1.00 21.11 O ATOM 691 CG2 THR A 46 17.204 -7.646 3.026 1.00 14.03 C ATOM 0 H THR A 46 14.018 -8.098 0.478 1.00 45.34 H new ATOM 0 HA THR A 46 14.475 -8.159 3.372 1.00 42.34 H new ATOM 0 HB THR A 46 16.351 -7.428 1.067 1.00 5.12 H new ATOM 0 HG1 THR A 46 17.137 -9.642 1.382 1.00 21.11 H new ATOM 0 HG21 THR A 46 18.195 -7.910 2.658 1.00 14.03 H new ATOM 0 HG22 THR A 46 17.164 -6.575 3.225 1.00 14.03 H new ATOM 0 HG23 THR A 46 17.001 -8.194 3.946 1.00 14.03 H new ATOM 699 N PRO A 47 14.395 -5.639 3.918 1.00 51.35 N ATOM 700 CA PRO A 47 14.496 -4.188 4.269 1.00 61.15 C ATOM 701 C PRO A 47 15.817 -3.538 3.775 1.00 71.31 C ATOM 702 O PRO A 47 16.909 -3.957 4.182 1.00 53.52 O ATOM 703 CB PRO A 47 14.412 -4.200 5.817 1.00 23.22 C ATOM 704 CG PRO A 47 13.600 -5.419 6.129 1.00 35.22 C ATOM 705 CD PRO A 47 14.014 -6.456 5.105 1.00 33.12 C ATOM 0 HA PRO A 47 13.718 -3.591 3.793 1.00 61.15 H new ATOM 0 HB2 PRO A 47 15.402 -4.254 6.270 1.00 23.22 H new ATOM 0 HB3 PRO A 47 13.936 -3.296 6.197 1.00 23.22 H new ATOM 0 HG2 PRO A 47 13.793 -5.770 7.143 1.00 35.22 H new ATOM 0 HG3 PRO A 47 12.533 -5.207 6.063 1.00 35.22 H new ATOM 0 HD2 PRO A 47 14.848 -7.061 5.461 1.00 33.12 H new ATOM 0 HD3 PRO A 47 13.198 -7.142 4.875 1.00 33.12 H new ATOM 713 N GLY A 48 15.705 -2.519 2.895 1.00 74.01 N ATOM 714 CA GLY A 48 16.869 -1.949 2.190 1.00 63.41 C ATOM 715 C GLY A 48 16.692 -1.954 0.665 1.00 52.31 C ATOM 716 O GLY A 48 17.509 -1.381 -0.063 1.00 2.21 O ATOM 0 H GLY A 48 14.818 -2.075 2.657 1.00 74.01 H new ATOM 0 HA2 GLY A 48 17.031 -0.926 2.531 1.00 63.41 H new ATOM 0 HA3 GLY A 48 17.762 -2.517 2.451 1.00 63.41 H new ATOM 720 N ALA A 49 15.634 -2.634 0.184 1.00 51.02 N ATOM 721 CA ALA A 49 15.250 -2.641 -1.241 1.00 42.41 C ATOM 722 C ALA A 49 14.622 -1.294 -1.652 1.00 14.22 C ATOM 723 O ALA A 49 13.732 -0.800 -0.967 1.00 43.02 O ATOM 724 CB ALA A 49 14.270 -3.783 -1.507 1.00 12.44 C ATOM 0 H ALA A 49 15.020 -3.195 0.774 1.00 51.02 H new ATOM 0 HA ALA A 49 16.149 -2.790 -1.839 1.00 42.41 H new ATOM 0 HB1 ALA A 49 13.990 -3.784 -2.560 1.00 12.44 H new ATOM 0 HB2 ALA A 49 14.742 -4.733 -1.256 1.00 12.44 H new ATOM 0 HB3 ALA A 49 13.379 -3.648 -0.894 1.00 12.44 H new ATOM 730 N GLU A 50 15.084 -0.695 -2.763 1.00 64.21 N ATOM 731 CA GLU A 50 14.555 0.604 -3.248 1.00 2.10 C ATOM 732 C GLU A 50 13.938 0.447 -4.653 1.00 31.01 C ATOM 733 O GLU A 50 14.651 0.153 -5.610 1.00 60.12 O ATOM 734 CB GLU A 50 15.694 1.666 -3.258 1.00 24.12 C ATOM 735 CG GLU A 50 16.402 1.837 -1.894 1.00 71.40 C ATOM 736 CD GLU A 50 17.394 3.014 -1.826 1.00 31.04 C ATOM 737 OE1 GLU A 50 17.031 4.133 -2.247 1.00 63.25 O ATOM 738 OE2 GLU A 50 18.515 2.840 -1.297 1.00 63.30 O ATOM 0 H GLU A 50 15.824 -1.086 -3.347 1.00 64.21 H new ATOM 0 HA GLU A 50 13.769 0.941 -2.573 1.00 2.10 H new ATOM 0 HB2 GLU A 50 16.434 1.384 -4.008 1.00 24.12 H new ATOM 0 HB3 GLU A 50 15.279 2.626 -3.564 1.00 24.12 H new ATOM 0 HG2 GLU A 50 15.645 1.973 -1.122 1.00 71.40 H new ATOM 0 HG3 GLU A 50 16.936 0.916 -1.659 1.00 71.40 H new ATOM 745 N ARG A 51 12.608 0.655 -4.776 1.00 4.11 N ATOM 746 CA ARG A 51 11.908 0.576 -6.078 1.00 21.42 C ATOM 747 C ARG A 51 11.819 1.988 -6.714 1.00 70.15 C ATOM 748 O ARG A 51 11.263 2.924 -6.127 1.00 22.13 O ATOM 749 CB ARG A 51 10.511 -0.111 -5.940 1.00 63.41 C ATOM 750 CG ARG A 51 9.430 0.662 -5.159 1.00 54.13 C ATOM 751 CD ARG A 51 8.103 -0.119 -5.046 1.00 53.14 C ATOM 752 NE ARG A 51 7.042 0.692 -4.426 1.00 64.11 N ATOM 753 CZ ARG A 51 5.940 0.236 -3.869 1.00 53.30 C ATOM 754 NH1 ARG A 51 5.716 -1.040 -3.742 1.00 15.14 N ATOM 755 NH2 ARG A 51 5.072 1.082 -3.425 1.00 72.21 N ATOM 0 H ARG A 51 11.998 0.879 -3.990 1.00 4.11 H new ATOM 0 HA ARG A 51 12.486 -0.057 -6.752 1.00 21.42 H new ATOM 0 HB2 ARG A 51 10.130 -0.309 -6.942 1.00 63.41 H new ATOM 0 HB3 ARG A 51 10.654 -1.077 -5.456 1.00 63.41 H new ATOM 0 HG2 ARG A 51 9.801 0.886 -4.159 1.00 54.13 H new ATOM 0 HG3 ARG A 51 9.244 1.616 -5.652 1.00 54.13 H new ATOM 0 HD2 ARG A 51 7.784 -0.438 -6.038 1.00 53.14 H new ATOM 0 HD3 ARG A 51 8.262 -1.022 -4.456 1.00 53.14 H new ATOM 0 HE ARG A 51 7.173 1.703 -4.428 1.00 64.11 H new ATOM 0 HH11 ARG A 51 6.403 -1.714 -4.078 1.00 15.14 H new ATOM 0 HH12 ARG A 51 4.853 -1.365 -3.306 1.00 15.14 H new ATOM 0 HH21 ARG A 51 5.247 2.083 -3.509 1.00 72.21 H new ATOM 0 HH22 ARG A 51 4.212 0.749 -2.990 1.00 72.21 H new ATOM 769 N VAL A 52 12.424 2.135 -7.902 1.00 52.23 N ATOM 770 CA VAL A 52 12.594 3.436 -8.583 1.00 51.13 C ATOM 771 C VAL A 52 11.803 3.450 -9.919 1.00 52.21 C ATOM 772 O VAL A 52 12.183 2.779 -10.882 1.00 24.22 O ATOM 773 CB VAL A 52 14.123 3.723 -8.846 1.00 43.45 C ATOM 774 CG1 VAL A 52 14.333 5.144 -9.415 1.00 1.45 C ATOM 775 CG2 VAL A 52 14.972 3.503 -7.563 1.00 13.31 C ATOM 0 H VAL A 52 12.814 1.351 -8.425 1.00 52.23 H new ATOM 0 HA VAL A 52 12.201 4.221 -7.937 1.00 51.13 H new ATOM 0 HB VAL A 52 14.467 3.008 -9.594 1.00 43.45 H new ATOM 0 HG11 VAL A 52 15.396 5.314 -9.586 1.00 1.45 H new ATOM 0 HG12 VAL A 52 13.793 5.242 -10.357 1.00 1.45 H new ATOM 0 HG13 VAL A 52 13.958 5.880 -8.704 1.00 1.45 H new ATOM 0 HG21 VAL A 52 16.020 3.710 -7.780 1.00 13.31 H new ATOM 0 HG22 VAL A 52 14.625 4.174 -6.778 1.00 13.31 H new ATOM 0 HG23 VAL A 52 14.867 2.470 -7.230 1.00 13.31 H new ATOM 785 N PHE A 53 10.692 4.207 -9.948 1.00 74.32 N ATOM 786 CA PHE A 53 9.735 4.237 -11.085 1.00 44.41 C ATOM 787 C PHE A 53 10.284 5.079 -12.268 1.00 33.23 C ATOM 788 O PHE A 53 9.826 6.200 -12.517 1.00 35.31 O ATOM 789 CB PHE A 53 8.353 4.772 -10.600 1.00 41.22 C ATOM 790 CG PHE A 53 7.656 3.901 -9.543 1.00 53.51 C ATOM 791 CD1 PHE A 53 8.145 3.821 -8.238 1.00 43.53 C ATOM 792 CD2 PHE A 53 6.514 3.163 -9.850 1.00 4.32 C ATOM 793 CE1 PHE A 53 7.522 3.044 -7.287 1.00 1.34 C ATOM 794 CE2 PHE A 53 5.891 2.385 -8.893 1.00 71.24 C ATOM 795 CZ PHE A 53 6.395 2.323 -7.613 1.00 35.33 C ATOM 0 H PHE A 53 10.425 4.823 -9.180 1.00 74.32 H new ATOM 0 HA PHE A 53 9.604 3.220 -11.454 1.00 44.41 H new ATOM 0 HB2 PHE A 53 8.491 5.773 -10.191 1.00 41.22 H new ATOM 0 HB3 PHE A 53 7.694 4.868 -11.463 1.00 41.22 H new ATOM 0 HD1 PHE A 53 9.029 4.379 -7.969 1.00 43.53 H new ATOM 0 HD2 PHE A 53 6.110 3.200 -10.851 1.00 4.32 H new ATOM 0 HE1 PHE A 53 7.918 3.000 -6.283 1.00 1.34 H new ATOM 0 HE2 PHE A 53 5.005 1.823 -9.150 1.00 71.24 H new ATOM 0 HZ PHE A 53 5.908 1.711 -6.868 1.00 35.33 H new ATOM 805 N GLY A 54 11.273 4.518 -12.985 1.00 3.53 N ATOM 806 CA GLY A 54 11.943 5.201 -14.101 1.00 63.41 C ATOM 807 C GLY A 54 13.428 4.843 -14.180 1.00 63.44 C ATOM 808 O GLY A 54 13.879 4.253 -15.170 1.00 62.52 O ATOM 0 H GLY A 54 11.629 3.579 -12.806 1.00 3.53 H new ATOM 0 HA2 GLY A 54 11.454 4.932 -15.037 1.00 63.41 H new ATOM 0 HA3 GLY A 54 11.835 6.279 -13.984 1.00 63.41 H new ATOM 812 N ALA A 55 14.174 5.203 -13.108 1.00 22.14 N ATOM 813 CA ALA A 55 15.632 4.912 -12.952 1.00 61.54 C ATOM 814 C ALA A 55 16.522 5.570 -14.049 1.00 51.13 C ATOM 815 O ALA A 55 17.619 5.086 -14.349 1.00 62.35 O ATOM 816 CB ALA A 55 15.878 3.390 -12.856 1.00 4.25 C ATOM 0 H ALA A 55 13.782 5.710 -12.314 1.00 22.14 H new ATOM 0 HA ALA A 55 15.940 5.375 -12.014 1.00 61.54 H new ATOM 0 HB1 ALA A 55 16.945 3.200 -12.743 1.00 4.25 H new ATOM 0 HB2 ALA A 55 15.345 2.989 -11.994 1.00 4.25 H new ATOM 0 HB3 ALA A 55 15.518 2.905 -13.763 1.00 4.25 H new ATOM 822 N GLY A 56 16.046 6.694 -14.609 1.00 64.50 N ATOM 823 CA GLY A 56 16.789 7.446 -15.632 1.00 11.33 C ATOM 824 C GLY A 56 15.943 8.528 -16.300 1.00 53.23 C ATOM 825 O GLY A 56 16.015 8.725 -17.519 1.00 13.32 O ATOM 0 H GLY A 56 15.144 7.104 -14.368 1.00 64.50 H new ATOM 0 HA2 GLY A 56 17.664 7.906 -15.174 1.00 11.33 H new ATOM 0 HA3 GLY A 56 17.153 6.755 -16.392 1.00 11.33 H new ATOM 829 N THR A 57 15.141 9.243 -15.490 1.00 44.11 N ATOM 830 CA THR A 57 14.210 10.287 -15.973 1.00 64.41 C ATOM 831 C THR A 57 14.074 11.422 -14.935 1.00 14.34 C ATOM 832 O THR A 57 14.403 11.246 -13.756 1.00 54.44 O ATOM 833 CB THR A 57 12.794 9.682 -16.302 1.00 22.51 C ATOM 834 OG1 THR A 57 11.850 10.729 -16.609 1.00 4.32 O ATOM 835 CG2 THR A 57 12.248 8.816 -15.156 1.00 51.41 C ATOM 0 H THR A 57 15.118 9.115 -14.478 1.00 44.11 H new ATOM 0 HA THR A 57 14.627 10.700 -16.892 1.00 64.41 H new ATOM 0 HB THR A 57 12.924 9.040 -17.173 1.00 22.51 H new ATOM 0 HG1 THR A 57 10.977 10.333 -16.812 1.00 4.32 H new ATOM 0 HG21 THR A 57 11.270 8.422 -15.432 1.00 51.41 H new ATOM 0 HG22 THR A 57 12.932 7.989 -14.967 1.00 51.41 H new ATOM 0 HG23 THR A 57 12.154 9.422 -14.255 1.00 51.41 H new ATOM 843 N GLU A 58 13.596 12.591 -15.393 1.00 30.02 N ATOM 844 CA GLU A 58 13.383 13.775 -14.530 1.00 72.44 C ATOM 845 C GLU A 58 12.136 13.608 -13.615 1.00 62.31 C ATOM 846 O GLU A 58 12.000 14.313 -12.607 1.00 62.31 O ATOM 847 CB GLU A 58 13.245 15.046 -15.409 1.00 70.01 C ATOM 848 CG GLU A 58 14.452 15.330 -16.339 1.00 54.41 C ATOM 849 CD GLU A 58 15.778 15.573 -15.582 1.00 23.41 C ATOM 850 OE1 GLU A 58 16.015 16.713 -15.127 1.00 2.34 O ATOM 851 OE2 GLU A 58 16.586 14.629 -15.437 1.00 31.31 O ATOM 0 H GLU A 58 13.345 12.746 -16.369 1.00 30.02 H new ATOM 0 HA GLU A 58 14.250 13.877 -13.878 1.00 72.44 H new ATOM 0 HB2 GLU A 58 12.348 14.951 -16.021 1.00 70.01 H new ATOM 0 HB3 GLU A 58 13.097 15.907 -14.757 1.00 70.01 H new ATOM 0 HG2 GLU A 58 14.581 14.488 -17.019 1.00 54.41 H new ATOM 0 HG3 GLU A 58 14.229 16.203 -16.952 1.00 54.41 H new ATOM 858 N GLU A 59 11.232 12.679 -13.992 1.00 71.40 N ATOM 859 CA GLU A 59 10.026 12.335 -13.201 1.00 33.43 C ATOM 860 C GLU A 59 10.030 10.829 -12.824 1.00 42.05 C ATOM 861 O GLU A 59 9.510 9.976 -13.563 1.00 0.20 O ATOM 862 CB GLU A 59 8.746 12.710 -14.001 1.00 53.15 C ATOM 863 CG GLU A 59 7.411 12.449 -13.267 1.00 43.34 C ATOM 864 CD GLU A 59 6.189 12.762 -14.148 1.00 41.04 C ATOM 865 OE1 GLU A 59 5.834 11.922 -14.998 1.00 20.22 O ATOM 866 OE2 GLU A 59 5.597 13.856 -14.020 1.00 4.30 O ATOM 0 H GLU A 59 11.316 12.143 -14.856 1.00 71.40 H new ATOM 0 HA GLU A 59 10.034 12.908 -12.274 1.00 33.43 H new ATOM 0 HB2 GLU A 59 8.797 13.767 -14.263 1.00 53.15 H new ATOM 0 HB3 GLU A 59 8.744 12.149 -14.936 1.00 53.15 H new ATOM 0 HG2 GLU A 59 7.371 11.407 -12.951 1.00 43.34 H new ATOM 0 HG3 GLU A 59 7.370 13.058 -12.364 1.00 43.34 H new ATOM 873 N GLU A 60 10.700 10.503 -11.703 1.00 4.44 N ATOM 874 CA GLU A 60 10.660 9.150 -11.092 1.00 75.23 C ATOM 875 C GLU A 60 10.399 9.213 -9.572 1.00 33.01 C ATOM 876 O GLU A 60 10.567 10.257 -8.936 1.00 43.04 O ATOM 877 CB GLU A 60 11.981 8.396 -11.390 1.00 21.50 C ATOM 878 CG GLU A 60 13.258 9.115 -10.915 1.00 51.12 C ATOM 879 CD GLU A 60 14.541 8.440 -11.413 1.00 52.23 C ATOM 880 OE1 GLU A 60 14.708 8.316 -12.639 1.00 10.01 O ATOM 881 OE2 GLU A 60 15.383 8.022 -10.592 1.00 21.53 O ATOM 0 H GLU A 60 11.285 11.164 -11.192 1.00 4.44 H new ATOM 0 HA GLU A 60 9.828 8.605 -11.538 1.00 75.23 H new ATOM 0 HB2 GLU A 60 11.937 7.415 -10.918 1.00 21.50 H new ATOM 0 HB3 GLU A 60 12.053 8.230 -12.465 1.00 21.50 H new ATOM 0 HG2 GLU A 60 13.238 10.148 -11.262 1.00 51.12 H new ATOM 0 HG3 GLU A 60 13.268 9.145 -9.825 1.00 51.12 H new ATOM 888 N LEU A 61 9.993 8.068 -9.004 1.00 72.01 N ATOM 889 CA LEU A 61 9.695 7.926 -7.563 1.00 34.41 C ATOM 890 C LEU A 61 10.585 6.826 -6.949 1.00 22.53 C ATOM 891 O LEU A 61 10.557 5.689 -7.403 1.00 53.31 O ATOM 892 CB LEU A 61 8.186 7.581 -7.365 1.00 65.44 C ATOM 893 CG LEU A 61 7.725 7.264 -5.901 1.00 72.42 C ATOM 894 CD1 LEU A 61 8.008 8.442 -4.948 1.00 34.34 C ATOM 895 CD2 LEU A 61 6.234 6.848 -5.864 1.00 11.34 C ATOM 0 H LEU A 61 9.860 7.205 -9.532 1.00 72.01 H new ATOM 0 HA LEU A 61 9.907 8.868 -7.057 1.00 34.41 H new ATOM 0 HB2 LEU A 61 7.594 8.418 -7.735 1.00 65.44 H new ATOM 0 HB3 LEU A 61 7.948 6.721 -7.991 1.00 65.44 H new ATOM 0 HG LEU A 61 8.313 6.418 -5.547 1.00 72.42 H new ATOM 0 HD11 LEU A 61 7.675 8.185 -3.943 1.00 34.34 H new ATOM 0 HD12 LEU A 61 9.078 8.649 -4.934 1.00 34.34 H new ATOM 0 HD13 LEU A 61 7.472 9.326 -5.293 1.00 34.34 H new ATOM 0 HD21 LEU A 61 5.941 6.634 -4.836 1.00 11.34 H new ATOM 0 HD22 LEU A 61 5.620 7.660 -6.255 1.00 11.34 H new ATOM 0 HD23 LEU A 61 6.090 5.957 -6.475 1.00 11.34 H new ATOM 907 N VAL A 62 11.383 7.176 -5.931 1.00 73.31 N ATOM 908 CA VAL A 62 12.179 6.190 -5.162 1.00 64.11 C ATOM 909 C VAL A 62 11.445 5.865 -3.851 1.00 34.41 C ATOM 910 O VAL A 62 11.024 6.781 -3.142 1.00 53.33 O ATOM 911 CB VAL A 62 13.628 6.718 -4.835 1.00 62.43 C ATOM 912 CG1 VAL A 62 14.490 5.614 -4.151 1.00 12.44 C ATOM 913 CG2 VAL A 62 14.315 7.264 -6.109 1.00 72.05 C ATOM 0 H VAL A 62 11.499 8.139 -5.614 1.00 73.31 H new ATOM 0 HA VAL A 62 12.287 5.296 -5.776 1.00 64.11 H new ATOM 0 HB VAL A 62 13.535 7.542 -4.128 1.00 62.43 H new ATOM 0 HG11 VAL A 62 15.484 6.008 -3.938 1.00 12.44 H new ATOM 0 HG12 VAL A 62 14.014 5.306 -3.220 1.00 12.44 H new ATOM 0 HG13 VAL A 62 14.576 4.755 -4.816 1.00 12.44 H new ATOM 0 HG21 VAL A 62 15.313 7.623 -5.859 1.00 72.05 H new ATOM 0 HG22 VAL A 62 14.390 6.469 -6.851 1.00 72.05 H new ATOM 0 HG23 VAL A 62 13.726 8.086 -6.516 1.00 72.05 H new ATOM 923 N GLU A 63 11.273 4.562 -3.548 1.00 3.00 N ATOM 924 CA GLU A 63 10.660 4.091 -2.279 1.00 72.40 C ATOM 925 C GLU A 63 11.549 3.012 -1.622 1.00 55.42 C ATOM 926 O GLU A 63 11.917 2.048 -2.285 1.00 10.42 O ATOM 927 CB GLU A 63 9.227 3.532 -2.530 1.00 13.33 C ATOM 928 CG GLU A 63 8.237 4.565 -3.110 1.00 60.23 C ATOM 929 CD GLU A 63 6.790 4.058 -3.193 1.00 15.44 C ATOM 930 OE1 GLU A 63 6.077 4.108 -2.172 1.00 33.12 O ATOM 931 OE2 GLU A 63 6.366 3.591 -4.270 1.00 64.45 O ATOM 0 H GLU A 63 11.553 3.805 -4.171 1.00 3.00 H new ATOM 0 HA GLU A 63 10.581 4.941 -1.602 1.00 72.40 H new ATOM 0 HB2 GLU A 63 9.294 2.686 -3.214 1.00 13.33 H new ATOM 0 HB3 GLU A 63 8.828 3.151 -1.590 1.00 13.33 H new ATOM 0 HG2 GLU A 63 8.262 5.464 -2.494 1.00 60.23 H new ATOM 0 HG3 GLU A 63 8.569 4.852 -4.108 1.00 60.23 H new ATOM 938 N ARG A 64 11.880 3.174 -0.322 1.00 65.23 N ATOM 939 CA ARG A 64 12.748 2.218 0.425 1.00 4.11 C ATOM 940 C ARG A 64 11.915 1.329 1.368 1.00 44.23 C ATOM 941 O ARG A 64 11.099 1.835 2.137 1.00 71.22 O ATOM 942 CB ARG A 64 13.812 2.972 1.270 1.00 74.12 C ATOM 943 CG ARG A 64 14.648 3.985 0.482 1.00 12.41 C ATOM 944 CD ARG A 64 15.715 4.710 1.337 1.00 12.22 C ATOM 945 NE ARG A 64 16.965 3.935 1.469 1.00 11.22 N ATOM 946 CZ ARG A 64 18.024 4.308 2.160 1.00 2.31 C ATOM 947 NH1 ARG A 64 18.015 5.374 2.898 1.00 4.31 N ATOM 948 NH2 ARG A 64 19.097 3.598 2.105 1.00 41.43 N ATOM 0 H ARG A 64 11.560 3.962 0.241 1.00 65.23 H new ATOM 0 HA ARG A 64 13.245 1.595 -0.319 1.00 4.11 H new ATOM 0 HB2 ARG A 64 13.308 3.492 2.085 1.00 74.12 H new ATOM 0 HB3 ARG A 64 14.482 2.241 1.723 1.00 74.12 H new ATOM 0 HG2 ARG A 64 15.143 3.471 -0.342 1.00 12.41 H new ATOM 0 HG3 ARG A 64 13.983 4.727 0.041 1.00 12.41 H new ATOM 0 HD2 ARG A 64 15.938 5.678 0.887 1.00 12.22 H new ATOM 0 HD3 ARG A 64 15.308 4.906 2.329 1.00 12.22 H new ATOM 0 HE ARG A 64 17.013 3.038 0.986 1.00 11.22 H new ATOM 0 HH11 ARG A 64 17.174 5.948 2.955 1.00 4.31 H new ATOM 0 HH12 ARG A 64 18.849 5.639 3.422 1.00 4.31 H new ATOM 0 HH21 ARG A 64 19.122 2.756 1.531 1.00 41.43 H new ATOM 0 HH22 ARG A 64 19.922 3.878 2.636 1.00 41.43 H new ATOM 962 N LEU A 65 12.160 0.014 1.317 1.00 32.54 N ATOM 963 CA LEU A 65 11.536 -0.974 2.209 1.00 42.43 C ATOM 964 C LEU A 65 12.139 -0.863 3.636 1.00 0.43 C ATOM 965 O LEU A 65 13.317 -1.157 3.847 1.00 54.11 O ATOM 966 CB LEU A 65 11.726 -2.394 1.594 1.00 14.44 C ATOM 967 CG LEU A 65 11.177 -3.613 2.406 1.00 51.01 C ATOM 968 CD1 LEU A 65 9.739 -3.369 2.892 1.00 5.03 C ATOM 969 CD2 LEU A 65 11.264 -4.916 1.571 1.00 14.32 C ATOM 0 H LEU A 65 12.806 -0.401 0.646 1.00 32.54 H new ATOM 0 HA LEU A 65 10.467 -0.783 2.303 1.00 42.43 H new ATOM 0 HB2 LEU A 65 11.251 -2.402 0.613 1.00 14.44 H new ATOM 0 HB3 LEU A 65 12.793 -2.550 1.433 1.00 14.44 H new ATOM 0 HG LEU A 65 11.806 -3.729 3.289 1.00 51.01 H new ATOM 0 HD11 LEU A 65 9.392 -4.237 3.452 1.00 5.03 H new ATOM 0 HD12 LEU A 65 9.717 -2.490 3.536 1.00 5.03 H new ATOM 0 HD13 LEU A 65 9.087 -3.207 2.033 1.00 5.03 H new ATOM 0 HD21 LEU A 65 10.877 -5.750 2.156 1.00 14.32 H new ATOM 0 HD22 LEU A 65 10.673 -4.806 0.662 1.00 14.32 H new ATOM 0 HD23 LEU A 65 12.304 -5.110 1.307 1.00 14.32 H new ATOM 981 N VAL A 66 11.312 -0.398 4.596 1.00 0.43 N ATOM 982 CA VAL A 66 11.736 -0.159 5.998 1.00 2.22 C ATOM 983 C VAL A 66 11.803 -1.476 6.809 1.00 2.45 C ATOM 984 O VAL A 66 12.820 -1.774 7.451 1.00 62.21 O ATOM 985 CB VAL A 66 10.761 0.856 6.716 1.00 24.44 C ATOM 986 CG1 VAL A 66 11.160 1.098 8.201 1.00 34.02 C ATOM 987 CG2 VAL A 66 10.681 2.193 5.936 1.00 52.11 C ATOM 0 H VAL A 66 10.331 -0.177 4.424 1.00 0.43 H new ATOM 0 HA VAL A 66 12.737 0.271 5.959 1.00 2.22 H new ATOM 0 HB VAL A 66 9.770 0.403 6.720 1.00 24.44 H new ATOM 0 HG11 VAL A 66 10.463 1.802 8.655 1.00 34.02 H new ATOM 0 HG12 VAL A 66 11.128 0.154 8.745 1.00 34.02 H new ATOM 0 HG13 VAL A 66 12.169 1.508 8.244 1.00 34.02 H new ATOM 0 HG21 VAL A 66 10.004 2.874 6.451 1.00 52.11 H new ATOM 0 HG22 VAL A 66 11.673 2.641 5.880 1.00 52.11 H new ATOM 0 HG23 VAL A 66 10.310 2.005 4.928 1.00 52.11 H new ATOM 997 N GLU A 67 10.703 -2.251 6.773 1.00 53.22 N ATOM 998 CA GLU A 67 10.583 -3.526 7.522 1.00 21.34 C ATOM 999 C GLU A 67 9.591 -4.479 6.817 1.00 13.51 C ATOM 1000 O GLU A 67 8.654 -4.033 6.130 1.00 70.35 O ATOM 1001 CB GLU A 67 10.140 -3.257 8.994 1.00 41.51 C ATOM 1002 CG GLU A 67 8.742 -2.630 9.136 1.00 11.41 C ATOM 1003 CD GLU A 67 8.416 -2.135 10.553 1.00 20.20 C ATOM 1004 OE1 GLU A 67 8.828 -1.008 10.902 1.00 63.21 O ATOM 1005 OE2 GLU A 67 7.752 -2.861 11.327 1.00 21.33 O ATOM 0 H GLU A 67 9.873 -2.017 6.228 1.00 53.22 H new ATOM 0 HA GLU A 67 11.561 -4.007 7.543 1.00 21.34 H new ATOM 0 HB2 GLU A 67 10.160 -4.198 9.544 1.00 41.51 H new ATOM 0 HB3 GLU A 67 10.869 -2.598 9.465 1.00 41.51 H new ATOM 0 HG2 GLU A 67 8.659 -1.793 8.443 1.00 11.41 H new ATOM 0 HG3 GLU A 67 7.994 -3.365 8.839 1.00 11.41 H new ATOM 1012 N ARG A 68 9.802 -5.793 6.996 1.00 50.14 N ATOM 1013 CA ARG A 68 8.954 -6.840 6.385 1.00 74.01 C ATOM 1014 C ARG A 68 8.584 -7.917 7.430 1.00 31.25 C ATOM 1015 O ARG A 68 9.453 -8.656 7.908 1.00 4.51 O ATOM 1016 CB ARG A 68 9.671 -7.475 5.136 1.00 45.43 C ATOM 1017 CG ARG A 68 8.971 -7.187 3.790 1.00 43.11 C ATOM 1018 CD ARG A 68 7.495 -7.646 3.786 1.00 44.15 C ATOM 1019 NE ARG A 68 6.814 -7.350 2.528 1.00 41.02 N ATOM 1020 CZ ARG A 68 7.092 -7.869 1.357 1.00 61.14 C ATOM 1021 NH1 ARG A 68 7.942 -8.847 1.213 1.00 52.34 N ATOM 1022 NH2 ARG A 68 6.476 -7.418 0.325 1.00 4.44 N ATOM 0 H ARG A 68 10.562 -6.163 7.566 1.00 50.14 H new ATOM 0 HA ARG A 68 8.029 -6.380 6.039 1.00 74.01 H new ATOM 0 HB2 ARG A 68 10.693 -7.100 5.089 1.00 45.43 H new ATOM 0 HB3 ARG A 68 9.733 -8.554 5.277 1.00 45.43 H new ATOM 0 HG2 ARG A 68 9.017 -6.118 3.580 1.00 43.11 H new ATOM 0 HG3 ARG A 68 9.509 -7.693 2.988 1.00 43.11 H new ATOM 0 HD2 ARG A 68 7.452 -8.719 3.973 1.00 44.15 H new ATOM 0 HD3 ARG A 68 6.965 -7.158 4.604 1.00 44.15 H new ATOM 0 HE ARG A 68 6.050 -6.675 2.564 1.00 41.02 H new ATOM 0 HH11 ARG A 68 8.417 -9.234 2.028 1.00 52.34 H new ATOM 0 HH12 ARG A 68 8.132 -9.225 0.285 1.00 52.34 H new ATOM 0 HH21 ARG A 68 5.788 -6.672 0.427 1.00 4.44 H new ATOM 0 HH22 ARG A 68 6.675 -7.805 -0.597 1.00 4.44 H new ATOM 1036 N ASP A 69 7.286 -7.990 7.766 1.00 71.21 N ATOM 1037 CA ASP A 69 6.730 -9.004 8.690 1.00 22.31 C ATOM 1038 C ASP A 69 5.746 -9.907 7.914 1.00 21.44 C ATOM 1039 O ASP A 69 4.538 -9.819 8.082 1.00 61.14 O ATOM 1040 CB ASP A 69 6.028 -8.312 9.892 1.00 71.42 C ATOM 1041 CG ASP A 69 6.981 -7.469 10.750 1.00 53.23 C ATOM 1042 OD1 ASP A 69 7.337 -6.342 10.336 1.00 33.01 O ATOM 1043 OD2 ASP A 69 7.365 -7.921 11.851 1.00 44.21 O ATOM 0 H ASP A 69 6.584 -7.344 7.404 1.00 71.21 H new ATOM 0 HA ASP A 69 7.536 -9.620 9.089 1.00 22.31 H new ATOM 0 HB2 ASP A 69 5.227 -7.674 9.518 1.00 71.42 H new ATOM 0 HB3 ASP A 69 5.563 -9.073 10.519 1.00 71.42 H new ATOM 1048 N GLU A 70 6.291 -10.769 7.049 1.00 45.52 N ATOM 1049 CA GLU A 70 5.500 -11.618 6.121 1.00 2.11 C ATOM 1050 C GLU A 70 4.663 -12.694 6.848 1.00 44.12 C ATOM 1051 O GLU A 70 3.554 -13.026 6.408 1.00 74.22 O ATOM 1052 CB GLU A 70 6.453 -12.240 5.070 1.00 5.20 C ATOM 1053 CG GLU A 70 7.049 -11.182 4.119 1.00 21.20 C ATOM 1054 CD GLU A 70 8.079 -11.712 3.118 1.00 42.44 C ATOM 1055 OE1 GLU A 70 7.781 -12.692 2.409 1.00 51.32 O ATOM 1056 OE2 GLU A 70 9.178 -11.119 2.999 1.00 63.01 O ATOM 0 H GLU A 70 7.298 -10.906 6.964 1.00 45.52 H new ATOM 0 HA GLU A 70 4.770 -10.983 5.619 1.00 2.11 H new ATOM 0 HB2 GLU A 70 7.262 -12.762 5.581 1.00 5.20 H new ATOM 0 HB3 GLU A 70 5.911 -12.984 4.487 1.00 5.20 H new ATOM 0 HG2 GLU A 70 6.235 -10.715 3.565 1.00 21.20 H new ATOM 0 HG3 GLU A 70 7.517 -10.401 4.718 1.00 21.20 H new ATOM 1063 N SER A 71 5.185 -13.203 7.974 1.00 52.41 N ATOM 1064 CA SER A 71 4.451 -14.149 8.856 1.00 71.04 C ATOM 1065 C SER A 71 3.328 -13.436 9.655 1.00 3.34 C ATOM 1066 O SER A 71 2.418 -14.085 10.173 1.00 11.02 O ATOM 1067 CB SER A 71 5.437 -14.839 9.823 1.00 34.34 C ATOM 1068 OG SER A 71 4.781 -15.749 10.696 1.00 32.02 O ATOM 0 H SER A 71 6.123 -12.977 8.306 1.00 52.41 H new ATOM 0 HA SER A 71 3.978 -14.899 8.222 1.00 71.04 H new ATOM 0 HB2 SER A 71 6.195 -15.371 9.248 1.00 34.34 H new ATOM 0 HB3 SER A 71 5.956 -14.083 10.412 1.00 34.34 H new ATOM 0 HG SER A 71 5.440 -16.165 11.290 1.00 32.02 H new ATOM 1074 N ALA A 72 3.409 -12.097 9.759 1.00 63.53 N ATOM 1075 CA ALA A 72 2.373 -11.255 10.422 1.00 42.35 C ATOM 1076 C ALA A 72 1.524 -10.454 9.395 1.00 24.03 C ATOM 1077 O ALA A 72 0.601 -9.731 9.792 1.00 23.13 O ATOM 1078 CB ALA A 72 3.049 -10.302 11.426 1.00 41.50 C ATOM 0 H ALA A 72 4.192 -11.559 9.388 1.00 63.53 H new ATOM 0 HA ALA A 72 1.688 -11.918 10.951 1.00 42.35 H new ATOM 0 HB1 ALA A 72 2.291 -9.687 11.910 1.00 41.50 H new ATOM 0 HB2 ALA A 72 3.580 -10.884 12.179 1.00 41.50 H new ATOM 0 HB3 ALA A 72 3.755 -9.660 10.899 1.00 41.50 H new ATOM 1084 N ARG A 73 1.858 -10.597 8.084 1.00 34.24 N ATOM 1085 CA ARG A 73 1.161 -9.912 6.956 1.00 12.14 C ATOM 1086 C ARG A 73 1.277 -8.357 7.022 1.00 43.21 C ATOM 1087 O ARG A 73 0.321 -7.644 6.733 1.00 33.04 O ATOM 1088 CB ARG A 73 -0.327 -10.379 6.875 1.00 23.32 C ATOM 1089 CG ARG A 73 -0.520 -11.860 6.453 1.00 43.23 C ATOM 1090 CD ARG A 73 -1.881 -12.446 6.907 1.00 75.22 C ATOM 1091 NE ARG A 73 -1.833 -12.962 8.299 1.00 73.44 N ATOM 1092 CZ ARG A 73 -2.197 -12.319 9.399 1.00 42.12 C ATOM 1093 NH1 ARG A 73 -2.567 -11.077 9.378 1.00 34.23 N ATOM 1094 NH2 ARG A 73 -2.155 -12.932 10.534 1.00 44.15 N ATOM 0 H ARG A 73 2.624 -11.195 7.776 1.00 34.24 H new ATOM 0 HA ARG A 73 1.668 -10.206 6.037 1.00 12.14 H new ATOM 0 HB2 ARG A 73 -0.794 -10.229 7.848 1.00 23.32 H new ATOM 0 HB3 ARG A 73 -0.856 -9.742 6.166 1.00 23.32 H new ATOM 0 HG2 ARG A 73 -0.441 -11.936 5.369 1.00 43.23 H new ATOM 0 HG3 ARG A 73 0.287 -12.460 6.874 1.00 43.23 H new ATOM 0 HD2 ARG A 73 -2.649 -11.676 6.833 1.00 75.22 H new ATOM 0 HD3 ARG A 73 -2.171 -13.252 6.232 1.00 75.22 H new ATOM 0 HE ARG A 73 -1.483 -13.912 8.421 1.00 73.44 H new ATOM 0 HH11 ARG A 73 -2.584 -10.565 8.496 1.00 34.23 H new ATOM 0 HH12 ARG A 73 -2.841 -10.612 10.243 1.00 34.23 H new ATOM 0 HH21 ARG A 73 -1.844 -13.902 10.578 1.00 44.15 H new ATOM 0 HH22 ARG A 73 -2.433 -12.446 11.387 1.00 44.15 H new ATOM 1108 N ARG A 74 2.487 -7.856 7.345 1.00 75.50 N ATOM 1109 CA ARG A 74 2.812 -6.403 7.385 1.00 13.44 C ATOM 1110 C ARG A 74 3.946 -6.062 6.372 1.00 12.03 C ATOM 1111 O ARG A 74 4.962 -6.761 6.307 1.00 30.43 O ATOM 1112 CB ARG A 74 3.262 -5.987 8.818 1.00 34.21 C ATOM 1113 CG ARG A 74 3.672 -4.490 8.962 1.00 40.12 C ATOM 1114 CD ARG A 74 4.630 -4.217 10.139 1.00 23.14 C ATOM 1115 NE ARG A 74 3.990 -4.348 11.456 1.00 21.32 N ATOM 1116 CZ ARG A 74 4.617 -4.615 12.583 1.00 22.35 C ATOM 1117 NH1 ARG A 74 5.884 -4.905 12.600 1.00 24.31 N ATOM 1118 NH2 ARG A 74 3.957 -4.594 13.689 1.00 33.31 N ATOM 0 H ARG A 74 3.279 -8.450 7.589 1.00 75.50 H new ATOM 0 HA ARG A 74 1.913 -5.851 7.112 1.00 13.44 H new ATOM 0 HB2 ARG A 74 2.450 -6.196 9.514 1.00 34.21 H new ATOM 0 HB3 ARG A 74 4.105 -6.611 9.115 1.00 34.21 H new ATOM 0 HG2 ARG A 74 4.146 -4.162 8.037 1.00 40.12 H new ATOM 0 HG3 ARG A 74 2.773 -3.888 9.090 1.00 40.12 H new ATOM 0 HD2 ARG A 74 5.470 -4.909 10.081 1.00 23.14 H new ATOM 0 HD3 ARG A 74 5.038 -3.211 10.040 1.00 23.14 H new ATOM 0 HE ARG A 74 2.979 -4.222 11.501 1.00 21.32 H new ATOM 0 HH11 ARG A 74 6.413 -4.929 11.728 1.00 24.31 H new ATOM 0 HH12 ARG A 74 6.349 -5.108 13.485 1.00 24.31 H new ATOM 0 HH21 ARG A 74 2.961 -4.373 13.685 1.00 33.31 H new ATOM 0 HH22 ARG A 74 4.430 -4.799 14.569 1.00 33.31 H new ATOM 1132 N LEU A 75 3.746 -4.988 5.587 1.00 3.21 N ATOM 1133 CA LEU A 75 4.745 -4.444 4.627 1.00 25.12 C ATOM 1134 C LEU A 75 4.875 -2.912 4.808 1.00 14.13 C ATOM 1135 O LEU A 75 3.989 -2.183 4.401 1.00 24.25 O ATOM 1136 CB LEU A 75 4.274 -4.795 3.175 1.00 33.42 C ATOM 1137 CG LEU A 75 4.956 -4.065 1.964 1.00 23.13 C ATOM 1138 CD1 LEU A 75 6.490 -4.164 1.988 1.00 2.32 C ATOM 1139 CD2 LEU A 75 4.394 -4.609 0.634 1.00 3.43 C ATOM 0 H LEU A 75 2.874 -4.459 5.596 1.00 3.21 H new ATOM 0 HA LEU A 75 5.725 -4.885 4.809 1.00 25.12 H new ATOM 0 HB2 LEU A 75 4.410 -5.867 3.034 1.00 33.42 H new ATOM 0 HB3 LEU A 75 3.203 -4.599 3.118 1.00 33.42 H new ATOM 0 HG LEU A 75 4.717 -3.005 2.054 1.00 23.13 H new ATOM 0 HD11 LEU A 75 6.902 -3.640 1.126 1.00 2.32 H new ATOM 0 HD12 LEU A 75 6.870 -3.710 2.904 1.00 2.32 H new ATOM 0 HD13 LEU A 75 6.788 -5.212 1.952 1.00 2.32 H new ATOM 0 HD21 LEU A 75 4.873 -4.097 -0.200 1.00 3.43 H new ATOM 0 HD22 LEU A 75 4.593 -5.679 0.565 1.00 3.43 H new ATOM 0 HD23 LEU A 75 3.318 -4.437 0.596 1.00 3.43 H new ATOM 1151 N VAL A 76 5.999 -2.423 5.379 1.00 45.10 N ATOM 1152 CA VAL A 76 6.203 -0.961 5.623 1.00 72.21 C ATOM 1153 C VAL A 76 7.339 -0.418 4.739 1.00 41.44 C ATOM 1154 O VAL A 76 8.425 -0.997 4.684 1.00 14.20 O ATOM 1155 CB VAL A 76 6.538 -0.630 7.125 1.00 61.22 C ATOM 1156 CG1 VAL A 76 6.690 0.900 7.367 1.00 74.10 C ATOM 1157 CG2 VAL A 76 5.489 -1.232 8.079 1.00 75.11 C ATOM 0 H VAL A 76 6.779 -3.008 5.681 1.00 45.10 H new ATOM 0 HA VAL A 76 5.257 -0.481 5.372 1.00 72.21 H new ATOM 0 HB VAL A 76 7.501 -1.092 7.342 1.00 61.22 H new ATOM 0 HG11 VAL A 76 6.921 1.081 8.417 1.00 74.10 H new ATOM 0 HG12 VAL A 76 7.497 1.288 6.746 1.00 74.10 H new ATOM 0 HG13 VAL A 76 5.759 1.404 7.108 1.00 74.10 H new ATOM 0 HG21 VAL A 76 5.749 -0.985 9.108 1.00 75.11 H new ATOM 0 HG22 VAL A 76 4.507 -0.822 7.845 1.00 75.11 H new ATOM 0 HG23 VAL A 76 5.468 -2.315 7.960 1.00 75.11 H new ATOM 1167 N TYR A 77 7.075 0.725 4.091 1.00 44.53 N ATOM 1168 CA TYR A 77 8.046 1.420 3.230 1.00 0.15 C ATOM 1169 C TYR A 77 7.835 2.956 3.267 1.00 45.14 C ATOM 1170 O TYR A 77 6.822 3.444 3.765 1.00 4.33 O ATOM 1171 CB TYR A 77 7.990 0.857 1.784 1.00 2.24 C ATOM 1172 CG TYR A 77 6.590 0.780 1.141 1.00 62.55 C ATOM 1173 CD1 TYR A 77 5.755 -0.324 1.358 1.00 63.43 C ATOM 1174 CD2 TYR A 77 6.117 1.788 0.298 1.00 52.23 C ATOM 1175 CE1 TYR A 77 4.513 -0.415 0.762 1.00 73.22 C ATOM 1176 CE2 TYR A 77 4.876 1.693 -0.305 1.00 64.31 C ATOM 1177 CZ TYR A 77 4.078 0.595 -0.069 1.00 14.35 C ATOM 1178 OH TYR A 77 2.848 0.497 -0.681 1.00 4.23 O ATOM 0 H TYR A 77 6.174 1.199 4.149 1.00 44.53 H new ATOM 0 HA TYR A 77 9.047 1.233 3.618 1.00 0.15 H new ATOM 0 HB2 TYR A 77 8.625 1.475 1.150 1.00 2.24 H new ATOM 0 HB3 TYR A 77 8.421 -0.144 1.788 1.00 2.24 H new ATOM 0 HD1 TYR A 77 6.090 -1.121 2.005 1.00 63.43 H new ATOM 0 HD2 TYR A 77 6.731 2.657 0.114 1.00 52.23 H new ATOM 0 HE1 TYR A 77 3.885 -1.274 0.946 1.00 73.22 H new ATOM 0 HE2 TYR A 77 4.533 2.479 -0.961 1.00 64.31 H new ATOM 0 HH TYR A 77 2.449 1.389 -0.758 1.00 4.23 H new ATOM 1188 N THR A 78 8.814 3.695 2.727 1.00 41.10 N ATOM 1189 CA THR A 78 8.854 5.184 2.763 1.00 32.41 C ATOM 1190 C THR A 78 9.233 5.749 1.381 1.00 32.51 C ATOM 1191 O THR A 78 9.822 5.039 0.573 1.00 51.25 O ATOM 1192 CB THR A 78 9.897 5.698 3.831 1.00 72.45 C ATOM 1193 OG1 THR A 78 9.953 7.141 3.829 1.00 42.22 O ATOM 1194 CG2 THR A 78 11.316 5.141 3.581 1.00 13.24 C ATOM 0 H THR A 78 9.613 3.283 2.246 1.00 41.10 H new ATOM 0 HA THR A 78 7.859 5.531 3.040 1.00 32.41 H new ATOM 0 HB THR A 78 9.554 5.336 4.801 1.00 72.45 H new ATOM 0 HG1 THR A 78 9.236 7.497 4.395 1.00 42.22 H new ATOM 0 HG21 THR A 78 11.996 5.524 4.342 1.00 13.24 H new ATOM 0 HG22 THR A 78 11.293 4.052 3.629 1.00 13.24 H new ATOM 0 HG23 THR A 78 11.661 5.454 2.595 1.00 13.24 H new ATOM 1202 N MET A 79 8.887 7.023 1.114 1.00 52.45 N ATOM 1203 CA MET A 79 9.364 7.757 -0.087 1.00 23.44 C ATOM 1204 C MET A 79 10.506 8.749 0.302 1.00 44.14 C ATOM 1205 O MET A 79 10.228 9.838 0.814 1.00 71.12 O ATOM 1206 CB MET A 79 8.191 8.512 -0.779 1.00 4.33 C ATOM 1207 CG MET A 79 7.051 7.609 -1.283 1.00 51.33 C ATOM 1208 SD MET A 79 5.822 8.500 -2.275 1.00 3.04 S ATOM 1209 CE MET A 79 5.133 9.648 -1.087 1.00 11.10 C ATOM 0 H MET A 79 8.274 7.574 1.716 1.00 52.45 H new ATOM 0 HA MET A 79 9.761 7.032 -0.797 1.00 23.44 H new ATOM 0 HB2 MET A 79 7.779 9.236 -0.076 1.00 4.33 H new ATOM 0 HB3 MET A 79 8.588 9.077 -1.622 1.00 4.33 H new ATOM 0 HG2 MET A 79 7.473 6.800 -1.879 1.00 51.33 H new ATOM 0 HG3 MET A 79 6.555 7.149 -0.428 1.00 51.33 H new ATOM 0 HE1 MET A 79 4.045 9.615 -1.138 1.00 11.10 H new ATOM 0 HE2 MET A 79 5.458 9.372 -0.084 1.00 11.10 H new ATOM 0 HE3 MET A 79 5.476 10.657 -1.315 1.00 11.10 H new ATOM 1219 N PRO A 80 11.819 8.368 0.105 1.00 45.45 N ATOM 1220 CA PRO A 80 12.985 9.295 0.293 1.00 52.43 C ATOM 1221 C PRO A 80 13.000 10.450 -0.739 1.00 63.41 C ATOM 1222 O PRO A 80 13.526 11.535 -0.469 1.00 55.13 O ATOM 1223 CB PRO A 80 14.210 8.363 0.092 1.00 13.52 C ATOM 1224 CG PRO A 80 13.685 7.271 -0.786 1.00 70.33 C ATOM 1225 CD PRO A 80 12.288 7.010 -0.277 1.00 63.31 C ATOM 0 HA PRO A 80 12.962 9.792 1.263 1.00 52.43 H new ATOM 0 HB2 PRO A 80 15.041 8.890 -0.377 1.00 13.52 H new ATOM 0 HB3 PRO A 80 14.576 7.972 1.042 1.00 13.52 H new ATOM 0 HG2 PRO A 80 13.675 7.575 -1.833 1.00 70.33 H new ATOM 0 HG3 PRO A 80 14.305 6.377 -0.719 1.00 70.33 H new ATOM 0 HD2 PRO A 80 11.655 6.564 -1.044 1.00 63.31 H new ATOM 0 HD3 PRO A 80 12.288 6.328 0.573 1.00 63.31 H new ATOM 1233 N ASP A 81 12.426 10.190 -1.930 1.00 4.51 N ATOM 1234 CA ASP A 81 12.203 11.211 -2.971 1.00 61.13 C ATOM 1235 C ASP A 81 10.681 11.277 -3.284 1.00 44.53 C ATOM 1236 O ASP A 81 10.214 10.655 -4.244 1.00 45.02 O ATOM 1237 CB ASP A 81 13.055 10.879 -4.236 1.00 53.03 C ATOM 1238 CG ASP A 81 13.049 12.009 -5.288 1.00 24.22 C ATOM 1239 OD1 ASP A 81 13.914 12.916 -5.209 1.00 33.21 O ATOM 1240 OD2 ASP A 81 12.178 12.011 -6.186 1.00 71.14 O ATOM 0 H ASP A 81 12.102 9.260 -2.198 1.00 4.51 H new ATOM 0 HA ASP A 81 12.524 12.193 -2.623 1.00 61.13 H new ATOM 0 HB2 ASP A 81 14.083 10.680 -3.932 1.00 53.03 H new ATOM 0 HB3 ASP A 81 12.675 9.965 -4.692 1.00 53.03 H new ATOM 1245 N PRO A 82 9.867 11.976 -2.420 1.00 44.14 N ATOM 1246 CA PRO A 82 8.398 12.063 -2.605 1.00 32.40 C ATOM 1247 C PRO A 82 7.977 13.116 -3.675 1.00 41.22 C ATOM 1248 O PRO A 82 8.651 14.141 -3.841 1.00 31.44 O ATOM 1249 CB PRO A 82 7.903 12.455 -1.188 1.00 1.22 C ATOM 1250 CG PRO A 82 9.017 13.280 -0.612 1.00 14.53 C ATOM 1251 CD PRO A 82 10.305 12.717 -1.196 1.00 42.33 C ATOM 0 HA PRO A 82 7.969 11.134 -2.981 1.00 32.40 H new ATOM 0 HB2 PRO A 82 6.974 13.022 -1.236 1.00 1.22 H new ATOM 0 HB3 PRO A 82 7.707 11.573 -0.578 1.00 1.22 H new ATOM 0 HG2 PRO A 82 8.898 14.332 -0.873 1.00 14.53 H new ATOM 0 HG3 PRO A 82 9.024 13.220 0.476 1.00 14.53 H new ATOM 0 HD2 PRO A 82 11.009 13.511 -1.443 1.00 42.33 H new ATOM 0 HD3 PRO A 82 10.806 12.055 -0.489 1.00 42.33 H new ATOM 1259 N PRO A 83 6.853 12.878 -4.430 1.00 4.30 N ATOM 1260 CA PRO A 83 6.308 13.861 -5.397 1.00 51.52 C ATOM 1261 C PRO A 83 5.377 14.915 -4.726 1.00 62.33 C ATOM 1262 O PRO A 83 4.867 15.818 -5.395 1.00 23.23 O ATOM 1263 CB PRO A 83 5.524 12.963 -6.416 1.00 32.01 C ATOM 1264 CG PRO A 83 5.652 11.541 -5.907 1.00 45.52 C ATOM 1265 CD PRO A 83 6.040 11.642 -4.448 1.00 62.44 C ATOM 0 HA PRO A 83 7.091 14.461 -5.861 1.00 51.52 H new ATOM 0 HB2 PRO A 83 4.478 13.263 -6.476 1.00 32.01 H new ATOM 0 HB3 PRO A 83 5.940 13.057 -7.419 1.00 32.01 H new ATOM 0 HG2 PRO A 83 4.712 11.001 -6.022 1.00 45.52 H new ATOM 0 HG3 PRO A 83 6.406 10.993 -6.472 1.00 45.52 H new ATOM 0 HD2 PRO A 83 5.168 11.718 -3.798 1.00 62.44 H new ATOM 0 HD3 PRO A 83 6.610 10.774 -4.116 1.00 62.44 H new ATOM 1273 N PHE A 84 5.179 14.790 -3.395 1.00 65.25 N ATOM 1274 CA PHE A 84 4.201 15.599 -2.624 1.00 51.03 C ATOM 1275 C PHE A 84 4.883 16.346 -1.446 1.00 64.43 C ATOM 1276 O PHE A 84 5.894 15.861 -0.916 1.00 10.02 O ATOM 1277 CB PHE A 84 3.069 14.671 -2.101 1.00 74.42 C ATOM 1278 CG PHE A 84 2.272 13.995 -3.219 1.00 21.31 C ATOM 1279 CD1 PHE A 84 1.453 14.751 -4.060 1.00 0.01 C ATOM 1280 CD2 PHE A 84 2.345 12.617 -3.438 1.00 60.21 C ATOM 1281 CE1 PHE A 84 0.733 14.154 -5.077 1.00 64.12 C ATOM 1282 CE2 PHE A 84 1.625 12.019 -4.455 1.00 11.21 C ATOM 1283 CZ PHE A 84 0.820 12.789 -5.276 1.00 13.43 C ATOM 0 H PHE A 84 5.694 14.123 -2.820 1.00 65.25 H new ATOM 0 HA PHE A 84 3.778 16.356 -3.284 1.00 51.03 H new ATOM 0 HB2 PHE A 84 3.505 13.904 -1.461 1.00 74.42 H new ATOM 0 HB3 PHE A 84 2.388 15.255 -1.481 1.00 74.42 H new ATOM 0 HD1 PHE A 84 1.381 15.819 -3.913 1.00 0.01 H new ATOM 0 HD2 PHE A 84 2.973 12.010 -2.803 1.00 60.21 H new ATOM 0 HE1 PHE A 84 0.102 14.754 -5.716 1.00 64.12 H new ATOM 0 HE2 PHE A 84 1.691 10.952 -4.609 1.00 11.21 H new ATOM 0 HZ PHE A 84 0.259 12.323 -6.073 1.00 13.43 H new ATOM 1293 N PRO A 85 4.345 17.556 -1.030 1.00 55.42 N ATOM 1294 CA PRO A 85 4.891 18.339 0.114 1.00 45.14 C ATOM 1295 C PRO A 85 4.626 17.665 1.493 1.00 53.15 C ATOM 1296 O PRO A 85 3.670 18.010 2.201 1.00 33.33 O ATOM 1297 CB PRO A 85 4.174 19.728 -0.005 1.00 15.44 C ATOM 1298 CG PRO A 85 3.529 19.723 -1.362 1.00 71.43 C ATOM 1299 CD PRO A 85 3.201 18.277 -1.653 1.00 73.10 C ATOM 0 HA PRO A 85 5.977 18.418 0.069 1.00 45.14 H new ATOM 0 HB2 PRO A 85 3.432 19.857 0.783 1.00 15.44 H new ATOM 0 HB3 PRO A 85 4.886 20.548 0.090 1.00 15.44 H new ATOM 0 HG2 PRO A 85 2.629 20.338 -1.370 1.00 71.43 H new ATOM 0 HG3 PRO A 85 4.201 20.132 -2.117 1.00 71.43 H new ATOM 0 HD2 PRO A 85 2.248 17.981 -1.215 1.00 73.10 H new ATOM 0 HD3 PRO A 85 3.134 18.084 -2.724 1.00 73.10 H new ATOM 1307 N ILE A 86 5.468 16.668 1.836 1.00 51.12 N ATOM 1308 CA ILE A 86 5.386 15.892 3.105 1.00 60.01 C ATOM 1309 C ILE A 86 6.798 15.725 3.729 1.00 25.10 C ATOM 1310 O ILE A 86 7.795 15.626 3.003 1.00 74.35 O ATOM 1311 CB ILE A 86 4.738 14.467 2.869 1.00 60.15 C ATOM 1312 CG1 ILE A 86 5.548 13.651 1.807 1.00 5.44 C ATOM 1313 CG2 ILE A 86 3.250 14.590 2.460 1.00 74.23 C ATOM 1314 CD1 ILE A 86 4.985 12.281 1.483 1.00 62.10 C ATOM 0 H ILE A 86 6.237 16.370 1.235 1.00 51.12 H new ATOM 0 HA ILE A 86 4.750 16.450 3.792 1.00 60.01 H new ATOM 0 HB ILE A 86 4.779 13.922 3.812 1.00 60.15 H new ATOM 0 HG12 ILE A 86 5.599 14.233 0.887 1.00 5.44 H new ATOM 0 HG13 ILE A 86 6.570 13.531 2.166 1.00 5.44 H new ATOM 0 HG21 ILE A 86 2.832 13.595 2.305 1.00 74.23 H new ATOM 0 HG22 ILE A 86 2.696 15.097 3.250 1.00 74.23 H new ATOM 0 HG23 ILE A 86 3.173 15.164 1.537 1.00 74.23 H new ATOM 0 HD11 ILE A 86 5.616 11.795 0.738 1.00 62.10 H new ATOM 0 HD12 ILE A 86 4.960 11.675 2.388 1.00 62.10 H new ATOM 0 HD13 ILE A 86 3.974 12.387 1.089 1.00 62.10 H new ATOM 1326 N THR A 87 6.881 15.705 5.074 1.00 54.43 N ATOM 1327 CA THR A 87 8.175 15.543 5.797 1.00 13.13 C ATOM 1328 C THR A 87 8.482 14.050 6.051 1.00 33.03 C ATOM 1329 O THR A 87 9.368 13.467 5.415 1.00 52.23 O ATOM 1330 CB THR A 87 8.178 16.344 7.152 1.00 35.44 C ATOM 1331 OG1 THR A 87 7.764 17.700 6.920 1.00 13.24 O ATOM 1332 CG2 THR A 87 9.568 16.344 7.826 1.00 14.41 C ATOM 0 H THR A 87 6.072 15.798 5.689 1.00 54.43 H new ATOM 0 HA THR A 87 8.960 15.953 5.161 1.00 13.13 H new ATOM 0 HB THR A 87 7.479 15.845 7.824 1.00 35.44 H new ATOM 0 HG1 THR A 87 7.766 18.192 7.767 1.00 13.24 H new ATOM 0 HG21 THR A 87 9.521 16.909 8.757 1.00 14.41 H new ATOM 0 HG22 THR A 87 9.869 15.318 8.038 1.00 14.41 H new ATOM 0 HG23 THR A 87 10.296 16.805 7.159 1.00 14.41 H new ATOM 1340 N ASN A 88 7.738 13.441 6.981 1.00 63.22 N ATOM 1341 CA ASN A 88 7.869 12.008 7.310 1.00 2.43 C ATOM 1342 C ASN A 88 6.906 11.220 6.425 1.00 72.35 C ATOM 1343 O ASN A 88 5.730 11.543 6.411 1.00 10.00 O ATOM 1344 CB ASN A 88 7.508 11.748 8.801 1.00 32.40 C ATOM 1345 CG ASN A 88 8.094 12.774 9.762 1.00 43.42 C ATOM 1346 OD1 ASN A 88 9.169 13.321 9.548 1.00 50.33 O ATOM 1347 ND2 ASN A 88 7.383 13.043 10.828 1.00 65.12 N ATOM 0 H ASN A 88 7.026 13.924 7.530 1.00 63.22 H new ATOM 0 HA ASN A 88 8.900 11.696 7.141 1.00 2.43 H new ATOM 0 HB2 ASN A 88 6.423 11.742 8.907 1.00 32.40 H new ATOM 0 HB3 ASN A 88 7.861 10.756 9.083 1.00 32.40 H new ATOM 0 HD21 ASN A 88 7.721 13.724 11.508 1.00 65.12 H new ATOM 0 HD22 ASN A 88 6.491 12.571 10.979 1.00 65.12 H new ATOM 1354 N HIS A 89 7.382 10.234 5.651 1.00 41.41 N ATOM 1355 CA HIS A 89 6.458 9.322 4.921 1.00 72.11 C ATOM 1356 C HIS A 89 6.538 7.852 5.408 1.00 13.04 C ATOM 1357 O HIS A 89 7.621 7.292 5.584 1.00 55.35 O ATOM 1358 CB HIS A 89 6.675 9.377 3.389 1.00 42.40 C ATOM 1359 CG HIS A 89 5.592 8.626 2.658 1.00 62.11 C ATOM 1360 ND1 HIS A 89 5.843 7.463 1.984 1.00 75.44 N ATOM 1361 CD2 HIS A 89 4.256 8.876 2.635 1.00 55.34 C ATOM 1362 CE1 HIS A 89 4.666 7.027 1.576 1.00 55.11 C ATOM 1363 NE2 HIS A 89 3.671 7.851 1.952 1.00 41.12 N ATOM 0 H HIS A 89 8.374 10.041 5.509 1.00 41.41 H new ATOM 0 HA HIS A 89 5.458 9.692 5.149 1.00 72.11 H new ATOM 0 HB2 HIS A 89 6.688 10.415 3.058 1.00 42.40 H new ATOM 0 HB3 HIS A 89 7.647 8.951 3.141 1.00 42.40 H new ATOM 0 HD2 HIS A 89 3.753 9.725 3.074 1.00 55.34 H new ATOM 0 HE1 HIS A 89 4.519 6.119 1.009 1.00 55.11 H new ATOM 0 HE2 HIS A 89 2.676 7.732 1.763 1.00 41.12 H new ATOM 1371 N ARG A 90 5.353 7.263 5.672 1.00 15.12 N ATOM 1372 CA ARG A 90 5.143 5.805 5.844 1.00 25.32 C ATOM 1373 C ARG A 90 3.963 5.354 4.942 1.00 35.24 C ATOM 1374 O ARG A 90 2.989 6.091 4.769 1.00 74.43 O ATOM 1375 CB ARG A 90 4.821 5.411 7.331 1.00 11.31 C ATOM 1376 CG ARG A 90 6.014 5.407 8.331 1.00 45.41 C ATOM 1377 CD ARG A 90 6.526 6.812 8.699 1.00 14.12 C ATOM 1378 NE ARG A 90 7.664 6.773 9.633 1.00 72.21 N ATOM 1379 CZ ARG A 90 8.916 7.054 9.334 1.00 14.02 C ATOM 1380 NH1 ARG A 90 9.284 7.322 8.110 1.00 43.20 N ATOM 1381 NH2 ARG A 90 9.804 7.047 10.266 1.00 21.11 N ATOM 0 H ARG A 90 4.492 7.800 5.775 1.00 15.12 H new ATOM 0 HA ARG A 90 6.071 5.307 5.563 1.00 25.32 H new ATOM 0 HB2 ARG A 90 4.064 6.099 7.708 1.00 11.31 H new ATOM 0 HB3 ARG A 90 4.376 4.416 7.330 1.00 11.31 H new ATOM 0 HG2 ARG A 90 5.710 4.892 9.242 1.00 45.41 H new ATOM 0 HG3 ARG A 90 6.835 4.834 7.900 1.00 45.41 H new ATOM 0 HD2 ARG A 90 6.824 7.336 7.791 1.00 14.12 H new ATOM 0 HD3 ARG A 90 5.714 7.385 9.146 1.00 14.12 H new ATOM 0 HE ARG A 90 7.465 6.505 10.597 1.00 72.21 H new ATOM 0 HH11 ARG A 90 8.595 7.317 7.358 1.00 43.20 H new ATOM 0 HH12 ARG A 90 10.260 7.536 7.906 1.00 43.20 H new ATOM 0 HH21 ARG A 90 9.535 6.825 11.225 1.00 21.11 H new ATOM 0 HH22 ARG A 90 10.776 7.263 10.046 1.00 21.11 H new ATOM 1395 N ALA A 91 4.076 4.148 4.378 1.00 10.00 N ATOM 1396 CA ALA A 91 2.988 3.477 3.628 1.00 73.31 C ATOM 1397 C ALA A 91 3.053 1.966 3.909 1.00 24.03 C ATOM 1398 O ALA A 91 4.102 1.343 3.718 1.00 21.32 O ATOM 1399 CB ALA A 91 3.092 3.766 2.120 1.00 50.15 C ATOM 0 H ALA A 91 4.932 3.596 4.425 1.00 10.00 H new ATOM 0 HA ALA A 91 2.026 3.867 3.960 1.00 73.31 H new ATOM 0 HB1 ALA A 91 2.281 3.261 1.596 1.00 50.15 H new ATOM 0 HB2 ALA A 91 3.021 4.840 1.950 1.00 50.15 H new ATOM 0 HB3 ALA A 91 4.049 3.402 1.745 1.00 50.15 H new ATOM 1405 N VAL A 92 1.931 1.373 4.368 1.00 14.22 N ATOM 1406 CA VAL A 92 1.926 -0.016 4.885 1.00 53.11 C ATOM 1407 C VAL A 92 0.749 -0.875 4.352 1.00 12.24 C ATOM 1408 O VAL A 92 -0.393 -0.423 4.317 1.00 20.51 O ATOM 1409 CB VAL A 92 1.960 -0.027 6.467 1.00 74.24 C ATOM 1410 CG1 VAL A 92 0.778 0.757 7.088 1.00 14.52 C ATOM 1411 CG2 VAL A 92 2.036 -1.470 7.028 1.00 74.34 C ATOM 0 H VAL A 92 1.020 1.830 4.392 1.00 14.22 H new ATOM 0 HA VAL A 92 2.835 -0.482 4.504 1.00 53.11 H new ATOM 0 HB VAL A 92 2.873 0.491 6.761 1.00 74.24 H new ATOM 0 HG11 VAL A 92 0.847 0.719 8.175 1.00 14.52 H new ATOM 0 HG12 VAL A 92 0.817 1.795 6.758 1.00 14.52 H new ATOM 0 HG13 VAL A 92 -0.163 0.309 6.769 1.00 14.52 H new ATOM 0 HG21 VAL A 92 2.058 -1.436 8.117 1.00 74.34 H new ATOM 0 HG22 VAL A 92 1.163 -2.034 6.700 1.00 74.34 H new ATOM 0 HG23 VAL A 92 2.941 -1.955 6.662 1.00 74.34 H new ATOM 1421 N LEU A 93 1.068 -2.127 3.937 1.00 74.24 N ATOM 1422 CA LEU A 93 0.073 -3.163 3.569 1.00 11.31 C ATOM 1423 C LEU A 93 -0.070 -4.163 4.733 1.00 33.25 C ATOM 1424 O LEU A 93 0.870 -4.900 5.040 1.00 43.32 O ATOM 1425 CB LEU A 93 0.476 -3.940 2.268 1.00 11.34 C ATOM 1426 CG LEU A 93 0.132 -3.272 0.902 1.00 62.13 C ATOM 1427 CD1 LEU A 93 -1.375 -2.980 0.784 1.00 54.40 C ATOM 1428 CD2 LEU A 93 0.972 -2.012 0.646 1.00 3.12 C ATOM 0 H LEU A 93 2.032 -2.447 3.848 1.00 74.24 H new ATOM 0 HA LEU A 93 -0.873 -2.658 3.372 1.00 11.31 H new ATOM 0 HB2 LEU A 93 1.552 -4.113 2.298 1.00 11.34 H new ATOM 0 HB3 LEU A 93 -0.005 -4.918 2.296 1.00 11.34 H new ATOM 0 HG LEU A 93 0.392 -3.988 0.123 1.00 62.13 H new ATOM 0 HD11 LEU A 93 -1.581 -2.514 -0.180 1.00 54.40 H new ATOM 0 HD12 LEU A 93 -1.934 -3.913 0.863 1.00 54.40 H new ATOM 0 HD13 LEU A 93 -1.679 -2.306 1.585 1.00 54.40 H new ATOM 0 HD21 LEU A 93 0.698 -1.581 -0.317 1.00 3.12 H new ATOM 0 HD22 LEU A 93 0.786 -1.284 1.436 1.00 3.12 H new ATOM 0 HD23 LEU A 93 2.030 -2.275 0.637 1.00 3.12 H new ATOM 1440 N GLU A 94 -1.239 -4.167 5.378 1.00 53.32 N ATOM 1441 CA GLU A 94 -1.576 -5.121 6.454 1.00 65.41 C ATOM 1442 C GLU A 94 -2.847 -5.908 6.079 1.00 5.31 C ATOM 1443 O GLU A 94 -3.946 -5.353 6.035 1.00 35.24 O ATOM 1444 CB GLU A 94 -1.764 -4.366 7.801 1.00 13.13 C ATOM 1445 CG GLU A 94 -0.476 -3.702 8.333 1.00 54.14 C ATOM 1446 CD GLU A 94 -0.706 -2.791 9.550 1.00 35.34 C ATOM 1447 OE1 GLU A 94 -1.124 -1.623 9.364 1.00 30.11 O ATOM 1448 OE2 GLU A 94 -0.465 -3.230 10.699 1.00 22.44 O ATOM 0 H GLU A 94 -1.988 -3.506 5.172 1.00 53.32 H new ATOM 0 HA GLU A 94 -0.757 -5.830 6.575 1.00 65.41 H new ATOM 0 HB2 GLU A 94 -2.529 -3.600 7.673 1.00 13.13 H new ATOM 0 HB3 GLU A 94 -2.136 -5.066 8.549 1.00 13.13 H new ATOM 0 HG2 GLU A 94 0.238 -4.480 8.603 1.00 54.14 H new ATOM 0 HG3 GLU A 94 -0.023 -3.117 7.533 1.00 54.14 H new ATOM 1455 N VAL A 95 -2.687 -7.217 5.813 1.00 24.11 N ATOM 1456 CA VAL A 95 -3.816 -8.097 5.465 1.00 42.43 C ATOM 1457 C VAL A 95 -4.354 -8.759 6.749 1.00 14.25 C ATOM 1458 O VAL A 95 -3.695 -9.613 7.336 1.00 50.50 O ATOM 1459 CB VAL A 95 -3.401 -9.196 4.412 1.00 51.24 C ATOM 1460 CG1 VAL A 95 -4.630 -10.020 3.941 1.00 22.34 C ATOM 1461 CG2 VAL A 95 -2.656 -8.562 3.208 1.00 13.32 C ATOM 0 H VAL A 95 -1.783 -7.689 5.833 1.00 24.11 H new ATOM 0 HA VAL A 95 -4.596 -7.491 5.004 1.00 42.43 H new ATOM 0 HB VAL A 95 -2.714 -9.884 4.905 1.00 51.24 H new ATOM 0 HG11 VAL A 95 -4.310 -10.768 3.216 1.00 22.34 H new ATOM 0 HG12 VAL A 95 -5.085 -10.516 4.798 1.00 22.34 H new ATOM 0 HG13 VAL A 95 -5.358 -9.354 3.478 1.00 22.34 H new ATOM 0 HG21 VAL A 95 -2.382 -9.342 2.498 1.00 13.32 H new ATOM 0 HG22 VAL A 95 -3.307 -7.838 2.718 1.00 13.32 H new ATOM 0 HG23 VAL A 95 -1.755 -8.060 3.561 1.00 13.32 H new ATOM 1471 N VAL A 96 -5.551 -8.346 7.179 1.00 73.02 N ATOM 1472 CA VAL A 96 -6.208 -8.856 8.401 1.00 62.33 C ATOM 1473 C VAL A 96 -7.297 -9.914 8.039 1.00 61.23 C ATOM 1474 O VAL A 96 -8.287 -9.587 7.370 1.00 33.13 O ATOM 1475 CB VAL A 96 -6.819 -7.676 9.265 1.00 42.43 C ATOM 1476 CG1 VAL A 96 -5.704 -6.909 10.027 1.00 10.04 C ATOM 1477 CG2 VAL A 96 -7.641 -6.693 8.395 1.00 63.34 C ATOM 0 H VAL A 96 -6.102 -7.641 6.688 1.00 73.02 H new ATOM 0 HA VAL A 96 -5.449 -9.345 9.011 1.00 62.33 H new ATOM 0 HB VAL A 96 -7.494 -8.129 9.991 1.00 42.43 H new ATOM 0 HG11 VAL A 96 -6.150 -6.105 10.612 1.00 10.04 H new ATOM 0 HG12 VAL A 96 -5.181 -7.595 10.693 1.00 10.04 H new ATOM 0 HG13 VAL A 96 -4.998 -6.488 9.311 1.00 10.04 H new ATOM 0 HG21 VAL A 96 -8.043 -5.899 9.024 1.00 63.34 H new ATOM 0 HG22 VAL A 96 -6.998 -6.259 7.630 1.00 63.34 H new ATOM 0 HG23 VAL A 96 -8.462 -7.228 7.918 1.00 63.34 H new ATOM 1487 N PRO A 97 -7.105 -11.219 8.436 1.00 44.10 N ATOM 1488 CA PRO A 97 -8.089 -12.292 8.153 1.00 52.33 C ATOM 1489 C PRO A 97 -9.387 -12.170 9.007 1.00 64.41 C ATOM 1490 O PRO A 97 -9.376 -12.409 10.218 1.00 45.00 O ATOM 1491 CB PRO A 97 -7.304 -13.595 8.470 1.00 50.02 C ATOM 1492 CG PRO A 97 -6.281 -13.185 9.492 1.00 31.24 C ATOM 1493 CD PRO A 97 -5.913 -11.750 9.158 1.00 50.22 C ATOM 0 HA PRO A 97 -8.454 -12.252 7.127 1.00 52.33 H new ATOM 0 HB2 PRO A 97 -7.964 -14.370 8.859 1.00 50.02 H new ATOM 0 HB3 PRO A 97 -6.830 -13.999 7.576 1.00 50.02 H new ATOM 0 HG2 PRO A 97 -6.685 -13.260 10.501 1.00 31.24 H new ATOM 0 HG3 PRO A 97 -5.405 -13.833 9.450 1.00 31.24 H new ATOM 0 HD2 PRO A 97 -5.705 -11.173 10.059 1.00 50.22 H new ATOM 0 HD3 PRO A 97 -5.019 -11.704 8.536 1.00 50.22 H new ATOM 1501 N ARG A 98 -10.491 -11.758 8.352 1.00 70.13 N ATOM 1502 CA ARG A 98 -11.859 -11.791 8.937 1.00 64.12 C ATOM 1503 C ARG A 98 -12.303 -13.244 9.238 1.00 63.31 C ATOM 1504 O ARG A 98 -13.076 -13.506 10.163 1.00 14.32 O ATOM 1505 CB ARG A 98 -12.861 -11.129 7.950 1.00 63.15 C ATOM 1506 CG ARG A 98 -12.653 -9.613 7.743 1.00 61.20 C ATOM 1507 CD ARG A 98 -12.951 -8.799 9.015 1.00 42.41 C ATOM 1508 NE ARG A 98 -12.832 -7.347 8.787 1.00 72.20 N ATOM 1509 CZ ARG A 98 -13.817 -6.476 8.877 1.00 21.35 C ATOM 1510 NH1 ARG A 98 -15.036 -6.855 9.119 1.00 24.04 N ATOM 1511 NH2 ARG A 98 -13.573 -5.223 8.704 1.00 42.43 N ATOM 0 H ARG A 98 -10.466 -11.391 7.401 1.00 70.13 H new ATOM 0 HA ARG A 98 -11.845 -11.239 9.877 1.00 64.12 H new ATOM 0 HB2 ARG A 98 -12.783 -11.628 6.984 1.00 63.15 H new ATOM 0 HB3 ARG A 98 -13.874 -11.297 8.315 1.00 63.15 H new ATOM 0 HG2 ARG A 98 -11.625 -9.430 7.431 1.00 61.20 H new ATOM 0 HG3 ARG A 98 -13.298 -9.268 6.935 1.00 61.20 H new ATOM 0 HD2 ARG A 98 -13.958 -9.029 9.364 1.00 42.41 H new ATOM 0 HD3 ARG A 98 -12.263 -9.099 9.806 1.00 42.41 H new ATOM 0 HE ARG A 98 -11.911 -6.987 8.539 1.00 72.20 H new ATOM 0 HH11 ARG A 98 -15.247 -7.845 9.244 1.00 24.04 H new ATOM 0 HH12 ARG A 98 -15.782 -6.162 9.184 1.00 24.04 H new ATOM 0 HH21 ARG A 98 -12.623 -4.912 8.499 1.00 42.43 H new ATOM 0 HH22 ARG A 98 -14.329 -4.542 8.772 1.00 42.43 H new ATOM 1525 N ASP A 99 -11.771 -14.166 8.430 1.00 43.43 N ATOM 1526 CA ASP A 99 -12.059 -15.606 8.476 1.00 63.25 C ATOM 1527 C ASP A 99 -10.844 -16.372 7.881 1.00 43.04 C ATOM 1528 O ASP A 99 -9.895 -15.748 7.387 1.00 50.20 O ATOM 1529 CB ASP A 99 -13.384 -15.861 7.695 1.00 13.11 C ATOM 1530 CG ASP A 99 -13.768 -17.335 7.537 1.00 74.24 C ATOM 1531 OD1 ASP A 99 -14.063 -17.995 8.552 1.00 70.02 O ATOM 1532 OD2 ASP A 99 -13.753 -17.842 6.393 1.00 24.12 O ATOM 0 H ASP A 99 -11.103 -13.923 7.698 1.00 43.43 H new ATOM 0 HA ASP A 99 -12.201 -15.967 9.495 1.00 63.25 H new ATOM 0 HB2 ASP A 99 -14.195 -15.342 8.206 1.00 13.11 H new ATOM 0 HB3 ASP A 99 -13.296 -15.416 6.704 1.00 13.11 H new ATOM 1537 N ASP A 100 -10.853 -17.713 7.963 1.00 42.22 N ATOM 1538 CA ASP A 100 -9.817 -18.567 7.334 1.00 44.40 C ATOM 1539 C ASP A 100 -9.761 -18.352 5.799 1.00 31.44 C ATOM 1540 O ASP A 100 -8.683 -18.212 5.218 1.00 22.12 O ATOM 1541 CB ASP A 100 -10.098 -20.057 7.647 1.00 45.43 C ATOM 1542 CG ASP A 100 -10.132 -20.346 9.156 1.00 13.11 C ATOM 1543 OD1 ASP A 100 -11.194 -20.149 9.780 1.00 42.05 O ATOM 1544 OD2 ASP A 100 -9.096 -20.747 9.728 1.00 23.42 O ATOM 0 H ASP A 100 -11.571 -18.238 8.462 1.00 42.22 H new ATOM 0 HA ASP A 100 -8.850 -18.283 7.750 1.00 44.40 H new ATOM 0 HB2 ASP A 100 -11.052 -20.344 7.204 1.00 45.43 H new ATOM 0 HB3 ASP A 100 -9.331 -20.674 7.180 1.00 45.43 H new ATOM 1549 N ARG A 101 -10.945 -18.299 5.168 1.00 51.31 N ATOM 1550 CA ARG A 101 -11.088 -18.227 3.693 1.00 62.02 C ATOM 1551 C ARG A 101 -11.540 -16.798 3.229 1.00 21.21 C ATOM 1552 O ARG A 101 -11.722 -16.548 2.039 1.00 64.20 O ATOM 1553 CB ARG A 101 -12.075 -19.367 3.247 1.00 31.44 C ATOM 1554 CG ARG A 101 -11.902 -19.906 1.793 1.00 12.40 C ATOM 1555 CD ARG A 101 -12.733 -19.151 0.742 1.00 20.34 C ATOM 1556 NE ARG A 101 -14.174 -19.212 1.035 1.00 42.24 N ATOM 1557 CZ ARG A 101 -15.102 -18.484 0.461 1.00 11.44 C ATOM 1558 NH1 ARG A 101 -14.820 -17.616 -0.461 1.00 73.15 N ATOM 1559 NH2 ARG A 101 -16.324 -18.629 0.830 1.00 70.25 N ATOM 0 H ARG A 101 -11.837 -18.305 5.662 1.00 51.31 H new ATOM 0 HA ARG A 101 -10.126 -18.388 3.206 1.00 62.02 H new ATOM 0 HB2 ARG A 101 -11.964 -20.204 3.937 1.00 31.44 H new ATOM 0 HB3 ARG A 101 -13.095 -18.997 3.355 1.00 31.44 H new ATOM 0 HG2 ARG A 101 -10.849 -19.848 1.518 1.00 12.40 H new ATOM 0 HG3 ARG A 101 -12.180 -20.960 1.772 1.00 12.40 H new ATOM 0 HD2 ARG A 101 -12.414 -18.109 0.706 1.00 20.34 H new ATOM 0 HD3 ARG A 101 -12.545 -19.576 -0.244 1.00 20.34 H new ATOM 0 HE ARG A 101 -14.477 -19.878 1.746 1.00 42.24 H new ATOM 0 HH11 ARG A 101 -13.853 -17.484 -0.759 1.00 73.15 H new ATOM 0 HH12 ARG A 101 -15.565 -17.065 -0.888 1.00 73.15 H new ATOM 0 HH21 ARG A 101 -16.560 -19.302 1.559 1.00 70.25 H new ATOM 0 HH22 ARG A 101 -17.058 -18.071 0.394 1.00 70.25 H new ATOM 1573 N HIS A 102 -11.694 -15.849 4.180 1.00 34.01 N ATOM 1574 CA HIS A 102 -12.053 -14.428 3.870 1.00 24.03 C ATOM 1575 C HIS A 102 -11.061 -13.460 4.561 1.00 74.23 C ATOM 1576 O HIS A 102 -10.669 -13.693 5.704 1.00 22.44 O ATOM 1577 CB HIS A 102 -13.503 -14.110 4.335 1.00 24.03 C ATOM 1578 CG HIS A 102 -14.553 -15.045 3.791 1.00 62.11 C ATOM 1579 ND1 HIS A 102 -15.183 -15.994 4.561 1.00 10.12 N ATOM 1580 CD2 HIS A 102 -15.086 -15.168 2.555 1.00 44.51 C ATOM 1581 CE1 HIS A 102 -16.060 -16.647 3.837 1.00 63.31 C ATOM 1582 NE2 HIS A 102 -16.028 -16.168 2.615 1.00 23.51 N ATOM 0 H HIS A 102 -11.577 -16.034 5.176 1.00 34.01 H new ATOM 0 HA HIS A 102 -11.994 -14.293 2.790 1.00 24.03 H new ATOM 0 HB2 HIS A 102 -13.537 -14.140 5.424 1.00 24.03 H new ATOM 0 HB3 HIS A 102 -13.752 -13.092 4.037 1.00 24.03 H new ATOM 0 HD1 HIS A 102 -14.996 -16.165 5.549 1.00 10.12 H new ATOM 0 HD2 HIS A 102 -14.821 -14.589 1.683 1.00 44.51 H new ATOM 0 HE1 HIS A 102 -16.700 -17.444 4.187 1.00 63.31 H new ATOM 1591 N CYS A 103 -10.677 -12.357 3.887 1.00 50.33 N ATOM 1592 CA CYS A 103 -9.705 -11.377 4.453 1.00 35.23 C ATOM 1593 C CYS A 103 -10.044 -9.923 4.067 1.00 75.22 C ATOM 1594 O CYS A 103 -10.982 -9.659 3.305 1.00 30.50 O ATOM 1595 CB CYS A 103 -8.273 -11.708 3.985 1.00 72.24 C ATOM 1596 SG CYS A 103 -7.956 -11.331 2.253 1.00 70.02 S ATOM 0 H CYS A 103 -11.018 -12.116 2.956 1.00 50.33 H new ATOM 0 HA CYS A 103 -9.771 -11.460 5.538 1.00 35.23 H new ATOM 0 HB2 CYS A 103 -7.564 -11.154 4.601 1.00 72.24 H new ATOM 0 HB3 CYS A 103 -8.083 -12.768 4.155 1.00 72.24 H new ATOM 0 HG CYS A 103 -8.373 -12.314 1.512 1.00 70.02 H new ATOM 1602 N THR A 104 -9.268 -8.985 4.634 1.00 21.11 N ATOM 1603 CA THR A 104 -9.369 -7.538 4.357 1.00 53.31 C ATOM 1604 C THR A 104 -7.953 -6.931 4.242 1.00 1.14 C ATOM 1605 O THR A 104 -7.184 -6.991 5.196 1.00 21.32 O ATOM 1606 CB THR A 104 -10.178 -6.812 5.499 1.00 4.12 C ATOM 1607 OG1 THR A 104 -11.520 -7.336 5.567 1.00 32.12 O ATOM 1608 CG2 THR A 104 -10.248 -5.283 5.313 1.00 52.24 C ATOM 0 H THR A 104 -8.539 -9.212 5.310 1.00 21.11 H new ATOM 0 HA THR A 104 -9.899 -7.396 3.415 1.00 53.31 H new ATOM 0 HB THR A 104 -9.640 -7.007 6.427 1.00 4.12 H new ATOM 0 HG1 THR A 104 -12.014 -6.880 6.280 1.00 32.12 H new ATOM 0 HG21 THR A 104 -10.818 -4.843 6.131 1.00 52.24 H new ATOM 0 HG22 THR A 104 -9.239 -4.870 5.310 1.00 52.24 H new ATOM 0 HG23 THR A 104 -10.737 -5.054 4.366 1.00 52.24 H new ATOM 1616 N VAL A 105 -7.599 -6.358 3.072 1.00 33.03 N ATOM 1617 CA VAL A 105 -6.277 -5.704 2.879 1.00 3.11 C ATOM 1618 C VAL A 105 -6.383 -4.203 3.218 1.00 62.21 C ATOM 1619 O VAL A 105 -7.219 -3.483 2.662 1.00 32.34 O ATOM 1620 CB VAL A 105 -5.708 -5.883 1.421 1.00 33.41 C ATOM 1621 CG1 VAL A 105 -4.291 -5.248 1.277 1.00 73.22 C ATOM 1622 CG2 VAL A 105 -5.670 -7.376 1.025 1.00 24.04 C ATOM 0 H VAL A 105 -8.202 -6.332 2.250 1.00 33.03 H new ATOM 0 HA VAL A 105 -5.578 -6.196 3.555 1.00 3.11 H new ATOM 0 HB VAL A 105 -6.381 -5.359 0.742 1.00 33.41 H new ATOM 0 HG11 VAL A 105 -3.930 -5.391 0.258 1.00 73.22 H new ATOM 0 HG12 VAL A 105 -4.346 -4.182 1.496 1.00 73.22 H new ATOM 0 HG13 VAL A 105 -3.605 -5.727 1.975 1.00 73.22 H new ATOM 0 HG21 VAL A 105 -5.274 -7.474 0.014 1.00 24.04 H new ATOM 0 HG22 VAL A 105 -5.031 -7.921 1.720 1.00 24.04 H new ATOM 0 HG23 VAL A 105 -6.679 -7.788 1.061 1.00 24.04 H new ATOM 1632 N VAL A 106 -5.521 -3.752 4.139 1.00 2.22 N ATOM 1633 CA VAL A 106 -5.482 -2.360 4.624 1.00 70.34 C ATOM 1634 C VAL A 106 -4.203 -1.671 4.100 1.00 32.23 C ATOM 1635 O VAL A 106 -3.107 -2.204 4.251 1.00 0.33 O ATOM 1636 CB VAL A 106 -5.510 -2.313 6.204 1.00 50.15 C ATOM 1637 CG1 VAL A 106 -5.515 -0.855 6.743 1.00 71.41 C ATOM 1638 CG2 VAL A 106 -6.708 -3.126 6.767 1.00 73.25 C ATOM 0 H VAL A 106 -4.820 -4.350 4.576 1.00 2.22 H new ATOM 0 HA VAL A 106 -6.362 -1.835 4.252 1.00 70.34 H new ATOM 0 HB VAL A 106 -4.591 -2.781 6.557 1.00 50.15 H new ATOM 0 HG11 VAL A 106 -5.534 -0.870 7.833 1.00 71.41 H new ATOM 0 HG12 VAL A 106 -4.617 -0.338 6.403 1.00 71.41 H new ATOM 0 HG13 VAL A 106 -6.397 -0.333 6.372 1.00 71.41 H new ATOM 0 HG21 VAL A 106 -6.702 -3.076 7.856 1.00 73.25 H new ATOM 0 HG22 VAL A 106 -7.641 -2.708 6.390 1.00 73.25 H new ATOM 0 HG23 VAL A 106 -6.623 -4.166 6.451 1.00 73.25 H new ATOM 1648 N TRP A 107 -4.351 -0.495 3.475 1.00 62.43 N ATOM 1649 CA TRP A 107 -3.210 0.331 3.029 1.00 11.31 C ATOM 1650 C TRP A 107 -3.301 1.716 3.711 1.00 24.34 C ATOM 1651 O TRP A 107 -4.310 2.419 3.577 1.00 12.22 O ATOM 1652 CB TRP A 107 -3.198 0.439 1.480 1.00 44.14 C ATOM 1653 CG TRP A 107 -1.890 0.905 0.858 1.00 52.53 C ATOM 1654 CD1 TRP A 107 -0.684 1.140 1.477 1.00 43.42 C ATOM 1655 CD2 TRP A 107 -1.676 1.173 -0.529 1.00 34.21 C ATOM 1656 NE1 TRP A 107 0.251 1.534 0.554 1.00 31.42 N ATOM 1657 CE2 TRP A 107 -0.334 1.561 -0.687 1.00 4.44 C ATOM 1658 CE3 TRP A 107 -2.497 1.117 -1.654 1.00 24.04 C ATOM 1659 CZ2 TRP A 107 0.206 1.898 -1.928 1.00 41.05 C ATOM 1660 CZ3 TRP A 107 -1.967 1.454 -2.881 1.00 14.41 C ATOM 1661 CH2 TRP A 107 -0.625 1.838 -3.014 1.00 52.05 C ATOM 0 H TRP A 107 -5.261 -0.086 3.263 1.00 62.43 H new ATOM 0 HA TRP A 107 -2.268 -0.134 3.320 1.00 11.31 H new ATOM 0 HB2 TRP A 107 -3.448 -0.537 1.065 1.00 44.14 H new ATOM 0 HB3 TRP A 107 -3.988 1.126 1.177 1.00 44.14 H new ATOM 0 HD1 TRP A 107 -0.500 1.030 2.536 1.00 43.42 H new ATOM 0 HE1 TRP A 107 1.223 1.769 0.757 1.00 31.42 H new ATOM 0 HE3 TRP A 107 -3.530 0.815 -1.566 1.00 24.04 H new ATOM 0 HZ2 TRP A 107 1.240 2.195 -2.028 1.00 41.05 H new ATOM 0 HZ3 TRP A 107 -2.598 1.422 -3.757 1.00 14.41 H new ATOM 0 HH2 TRP A 107 -0.240 2.091 -3.991 1.00 52.05 H new ATOM 1672 N THR A 108 -2.240 2.097 4.442 1.00 31.10 N ATOM 1673 CA THR A 108 -2.237 3.297 5.317 1.00 11.22 C ATOM 1674 C THR A 108 -1.033 4.224 5.006 1.00 70.41 C ATOM 1675 O THR A 108 0.116 3.786 5.062 1.00 5.41 O ATOM 1676 CB THR A 108 -2.207 2.867 6.830 1.00 60.23 C ATOM 1677 OG1 THR A 108 -3.336 2.026 7.122 1.00 34.34 O ATOM 1678 CG2 THR A 108 -2.202 4.065 7.804 1.00 52.31 C ATOM 0 H THR A 108 -1.357 1.586 4.448 1.00 31.10 H new ATOM 0 HA THR A 108 -3.152 3.855 5.119 1.00 11.22 H new ATOM 0 HB THR A 108 -1.273 2.326 6.979 1.00 60.23 H new ATOM 0 HG1 THR A 108 -3.311 1.760 8.065 1.00 34.34 H new ATOM 0 HG21 THR A 108 -2.181 3.699 8.831 1.00 52.31 H new ATOM 0 HG22 THR A 108 -1.321 4.680 7.620 1.00 52.31 H new ATOM 0 HG23 THR A 108 -3.100 4.663 7.650 1.00 52.31 H new ATOM 1686 N ALA A 109 -1.317 5.512 4.693 1.00 1.12 N ATOM 1687 CA ALA A 109 -0.290 6.552 4.442 1.00 62.35 C ATOM 1688 C ALA A 109 -0.195 7.514 5.643 1.00 43.12 C ATOM 1689 O ALA A 109 -1.088 8.325 5.872 1.00 13.21 O ATOM 1690 CB ALA A 109 -0.611 7.353 3.163 1.00 0.13 C ATOM 0 H ALA A 109 -2.272 5.860 4.607 1.00 1.12 H new ATOM 0 HA ALA A 109 0.667 6.048 4.306 1.00 62.35 H new ATOM 0 HB1 ALA A 109 0.159 8.108 3.004 1.00 0.13 H new ATOM 0 HB2 ALA A 109 -0.639 6.678 2.308 1.00 0.13 H new ATOM 0 HB3 ALA A 109 -1.580 7.840 3.272 1.00 0.13 H new ATOM 1696 N MET A 110 0.894 7.407 6.407 1.00 62.13 N ATOM 1697 CA MET A 110 1.186 8.313 7.535 1.00 74.32 C ATOM 1698 C MET A 110 2.151 9.393 7.063 1.00 52.13 C ATOM 1699 O MET A 110 3.183 9.070 6.463 1.00 51.01 O ATOM 1700 CB MET A 110 1.836 7.531 8.701 1.00 21.11 C ATOM 1701 CG MET A 110 1.041 6.311 9.128 1.00 52.43 C ATOM 1702 SD MET A 110 1.957 5.244 10.257 1.00 24.03 S ATOM 1703 CE MET A 110 0.906 3.798 10.276 1.00 42.22 C ATOM 0 H MET A 110 1.605 6.689 6.266 1.00 62.13 H new ATOM 0 HA MET A 110 0.255 8.759 7.884 1.00 74.32 H new ATOM 0 HB2 MET A 110 2.837 7.217 8.404 1.00 21.11 H new ATOM 0 HB3 MET A 110 1.951 8.198 9.556 1.00 21.11 H new ATOM 0 HG2 MET A 110 0.118 6.634 9.609 1.00 52.43 H new ATOM 0 HG3 MET A 110 0.757 5.740 8.244 1.00 52.43 H new ATOM 0 HE1 MET A 110 1.338 3.043 10.933 1.00 42.22 H new ATOM 0 HE2 MET A 110 -0.084 4.072 10.641 1.00 42.22 H new ATOM 0 HE3 MET A 110 0.822 3.396 9.266 1.00 42.22 H new ATOM 1713 N PHE A 111 1.840 10.661 7.334 1.00 75.34 N ATOM 1714 CA PHE A 111 2.753 11.763 6.993 1.00 5.25 C ATOM 1715 C PHE A 111 2.515 13.017 7.834 1.00 2.15 C ATOM 1716 O PHE A 111 1.424 13.243 8.353 1.00 22.20 O ATOM 1717 CB PHE A 111 2.733 12.082 5.461 1.00 31.42 C ATOM 1718 CG PHE A 111 1.351 12.280 4.830 1.00 11.31 C ATOM 1719 CD1 PHE A 111 0.655 13.480 4.977 1.00 53.11 C ATOM 1720 CD2 PHE A 111 0.760 11.272 4.065 1.00 42.15 C ATOM 1721 CE1 PHE A 111 -0.579 13.666 4.386 1.00 12.41 C ATOM 1722 CE2 PHE A 111 -0.471 11.460 3.472 1.00 55.45 C ATOM 1723 CZ PHE A 111 -1.139 12.658 3.633 1.00 22.51 C ATOM 0 H PHE A 111 0.973 10.953 7.784 1.00 75.34 H new ATOM 0 HA PHE A 111 3.755 11.414 7.243 1.00 5.25 H new ATOM 0 HB2 PHE A 111 3.320 12.985 5.291 1.00 31.42 H new ATOM 0 HB3 PHE A 111 3.237 11.271 4.935 1.00 31.42 H new ATOM 0 HD1 PHE A 111 1.089 14.277 5.563 1.00 53.11 H new ATOM 0 HD2 PHE A 111 1.275 10.331 3.936 1.00 42.15 H new ATOM 0 HE1 PHE A 111 -1.104 14.601 4.514 1.00 12.41 H new ATOM 0 HE2 PHE A 111 -0.912 10.671 2.882 1.00 55.45 H new ATOM 0 HZ PHE A 111 -2.102 12.805 3.167 1.00 22.51 H new ATOM 1733 N ASP A 112 3.585 13.809 7.995 1.00 52.23 N ATOM 1734 CA ASP A 112 3.533 15.122 8.653 1.00 52.41 C ATOM 1735 C ASP A 112 3.509 16.230 7.584 1.00 31.20 C ATOM 1736 O ASP A 112 4.551 16.737 7.152 1.00 52.53 O ATOM 1737 CB ASP A 112 4.709 15.273 9.647 1.00 35.33 C ATOM 1738 CG ASP A 112 4.490 14.436 10.922 1.00 43.22 C ATOM 1739 OD1 ASP A 112 4.469 13.190 10.828 1.00 21.12 O ATOM 1740 OD2 ASP A 112 4.330 15.016 12.020 1.00 73.41 O ATOM 0 H ASP A 112 4.518 13.554 7.670 1.00 52.23 H new ATOM 0 HA ASP A 112 2.618 15.211 9.239 1.00 52.41 H new ATOM 0 HB2 ASP A 112 5.636 14.964 9.164 1.00 35.33 H new ATOM 0 HB3 ASP A 112 4.825 16.323 9.917 1.00 35.33 H new ATOM 1745 N CYS A 113 2.293 16.501 7.099 1.00 13.43 N ATOM 1746 CA CYS A 113 1.997 17.585 6.139 1.00 20.34 C ATOM 1747 C CYS A 113 0.999 18.596 6.747 1.00 63.23 C ATOM 1748 O CYS A 113 0.226 18.251 7.650 1.00 1.13 O ATOM 1749 CB CYS A 113 1.418 16.979 4.847 1.00 74.22 C ATOM 1750 SG CYS A 113 0.951 18.179 3.587 1.00 14.11 S ATOM 0 H CYS A 113 1.466 15.966 7.364 1.00 13.43 H new ATOM 0 HA CYS A 113 2.921 18.116 5.910 1.00 20.34 H new ATOM 0 HB2 CYS A 113 2.154 16.296 4.422 1.00 74.22 H new ATOM 0 HB3 CYS A 113 0.542 16.384 5.103 1.00 74.22 H new ATOM 0 HG CYS A 113 1.947 18.361 2.771 1.00 14.11 H new ATOM 1756 N SER A 114 1.029 19.840 6.231 1.00 61.43 N ATOM 1757 CA SER A 114 0.139 20.947 6.678 1.00 53.43 C ATOM 1758 C SER A 114 -1.362 20.576 6.502 1.00 3.21 C ATOM 1759 O SER A 114 -1.707 20.016 5.471 1.00 53.42 O ATOM 1760 CB SER A 114 0.466 22.220 5.863 1.00 13.12 C ATOM 1761 OG SER A 114 1.841 22.566 5.966 1.00 32.32 O ATOM 0 H SER A 114 1.672 20.114 5.488 1.00 61.43 H new ATOM 0 HA SER A 114 0.314 21.126 7.739 1.00 53.43 H new ATOM 0 HB2 SER A 114 0.208 22.059 4.816 1.00 13.12 H new ATOM 0 HB3 SER A 114 -0.146 23.048 6.219 1.00 13.12 H new ATOM 0 HG SER A 114 2.016 23.373 5.439 1.00 32.32 H new ATOM 1767 N PRO A 115 -2.276 20.909 7.492 1.00 61.25 N ATOM 1768 CA PRO A 115 -3.684 20.376 7.536 1.00 23.15 C ATOM 1769 C PRO A 115 -4.507 20.590 6.229 1.00 10.31 C ATOM 1770 O PRO A 115 -5.225 19.682 5.786 1.00 54.33 O ATOM 1771 CB PRO A 115 -4.325 21.128 8.747 1.00 71.00 C ATOM 1772 CG PRO A 115 -3.422 22.305 8.993 1.00 23.30 C ATOM 1773 CD PRO A 115 -2.029 21.828 8.638 1.00 43.32 C ATOM 0 HA PRO A 115 -3.681 19.291 7.639 1.00 23.15 H new ATOM 0 HB2 PRO A 115 -5.341 21.450 8.519 1.00 71.00 H new ATOM 0 HB3 PRO A 115 -4.384 20.485 9.625 1.00 71.00 H new ATOM 0 HG2 PRO A 115 -3.713 23.158 8.380 1.00 23.30 H new ATOM 0 HG3 PRO A 115 -3.473 22.628 10.033 1.00 23.30 H new ATOM 0 HD2 PRO A 115 -1.377 22.656 8.359 1.00 43.32 H new ATOM 0 HD3 PRO A 115 -1.553 21.314 9.473 1.00 43.32 H new ATOM 1781 N GLU A 116 -4.375 21.783 5.614 1.00 54.35 N ATOM 1782 CA GLU A 116 -5.060 22.119 4.333 1.00 14.13 C ATOM 1783 C GLU A 116 -4.548 21.235 3.169 1.00 33.32 C ATOM 1784 O GLU A 116 -5.323 20.814 2.304 1.00 75.21 O ATOM 1785 CB GLU A 116 -4.864 23.620 3.997 1.00 1.44 C ATOM 1786 CG GLU A 116 -5.441 24.585 5.050 1.00 22.51 C ATOM 1787 CD GLU A 116 -5.094 26.063 4.771 1.00 3.04 C ATOM 1788 OE1 GLU A 116 -4.011 26.519 5.198 1.00 33.30 O ATOM 1789 OE2 GLU A 116 -5.899 26.769 4.126 1.00 5.24 O ATOM 0 H GLU A 116 -3.798 22.540 5.981 1.00 54.35 H new ATOM 0 HA GLU A 116 -6.124 21.919 4.460 1.00 14.13 H new ATOM 0 HB2 GLU A 116 -3.798 23.819 3.884 1.00 1.44 H new ATOM 0 HB3 GLU A 116 -5.331 23.829 3.035 1.00 1.44 H new ATOM 0 HG2 GLU A 116 -6.525 24.472 5.082 1.00 22.51 H new ATOM 0 HG3 GLU A 116 -5.062 24.308 6.034 1.00 22.51 H new ATOM 1796 N THR A 117 -3.238 20.953 3.166 1.00 15.41 N ATOM 1797 CA THR A 117 -2.604 20.072 2.157 1.00 35.32 C ATOM 1798 C THR A 117 -2.847 18.573 2.492 1.00 54.52 C ATOM 1799 O THR A 117 -2.903 17.741 1.600 1.00 52.12 O ATOM 1800 CB THR A 117 -1.059 20.357 2.052 1.00 22.11 C ATOM 1801 OG1 THR A 117 -0.828 21.777 1.985 1.00 32.32 O ATOM 1802 CG2 THR A 117 -0.416 19.684 0.817 1.00 62.12 C ATOM 0 H THR A 117 -2.585 21.324 3.856 1.00 15.41 H new ATOM 0 HA THR A 117 -3.065 20.291 1.194 1.00 35.32 H new ATOM 0 HB THR A 117 -0.595 19.934 2.943 1.00 22.11 H new ATOM 0 HG1 THR A 117 0.135 21.949 1.922 1.00 32.32 H new ATOM 0 HG21 THR A 117 0.650 19.912 0.792 1.00 62.12 H new ATOM 0 HG22 THR A 117 -0.555 18.605 0.877 1.00 62.12 H new ATOM 0 HG23 THR A 117 -0.889 20.060 -0.090 1.00 62.12 H new ATOM 1810 N ALA A 118 -3.034 18.261 3.791 1.00 72.01 N ATOM 1811 CA ALA A 118 -3.216 16.874 4.295 1.00 22.42 C ATOM 1812 C ALA A 118 -4.597 16.291 3.898 1.00 23.11 C ATOM 1813 O ALA A 118 -4.706 15.111 3.571 1.00 35.53 O ATOM 1814 CB ALA A 118 -3.034 16.846 5.823 1.00 15.42 C ATOM 0 H ALA A 118 -3.064 18.965 4.528 1.00 72.01 H new ATOM 0 HA ALA A 118 -2.457 16.245 3.830 1.00 22.42 H new ATOM 0 HB1 ALA A 118 -3.168 15.827 6.187 1.00 15.42 H new ATOM 0 HB2 ALA A 118 -2.032 17.193 6.076 1.00 15.42 H new ATOM 0 HB3 ALA A 118 -3.772 17.498 6.289 1.00 15.42 H new ATOM 1820 N ARG A 119 -5.643 17.144 3.948 1.00 3.13 N ATOM 1821 CA ARG A 119 -7.012 16.797 3.488 1.00 55.55 C ATOM 1822 C ARG A 119 -7.106 16.776 1.934 1.00 75.01 C ATOM 1823 O ARG A 119 -7.939 16.060 1.367 1.00 62.11 O ATOM 1824 CB ARG A 119 -8.060 17.762 4.108 1.00 71.12 C ATOM 1825 CG ARG A 119 -7.877 19.246 3.728 1.00 52.34 C ATOM 1826 CD ARG A 119 -8.799 20.190 4.523 1.00 24.40 C ATOM 1827 NE ARG A 119 -8.554 20.086 5.978 1.00 34.31 N ATOM 1828 CZ ARG A 119 -8.214 21.067 6.785 1.00 23.41 C ATOM 1829 NH1 ARG A 119 -8.058 22.284 6.349 1.00 51.32 N ATOM 1830 NH2 ARG A 119 -8.026 20.815 8.037 1.00 14.04 N ATOM 0 H ARG A 119 -5.565 18.095 4.309 1.00 3.13 H new ATOM 0 HA ARG A 119 -7.236 15.788 3.835 1.00 55.55 H new ATOM 0 HB2 ARG A 119 -9.055 17.442 3.799 1.00 71.12 H new ATOM 0 HB3 ARG A 119 -8.019 17.672 5.193 1.00 71.12 H new ATOM 0 HG2 ARG A 119 -6.839 19.533 3.897 1.00 52.34 H new ATOM 0 HG3 ARG A 119 -8.072 19.369 2.663 1.00 52.34 H new ATOM 0 HD2 ARG A 119 -8.637 21.218 4.198 1.00 24.40 H new ATOM 0 HD3 ARG A 119 -9.840 19.948 4.310 1.00 24.40 H new ATOM 0 HE ARG A 119 -8.659 19.162 6.397 1.00 34.31 H new ATOM 0 HH11 ARG A 119 -8.200 22.494 5.361 1.00 51.32 H new ATOM 0 HH12 ARG A 119 -7.794 23.027 6.996 1.00 51.32 H new ATOM 0 HH21 ARG A 119 -8.141 19.865 8.389 1.00 14.04 H new ATOM 0 HH22 ARG A 119 -7.762 21.566 8.674 1.00 14.04 H new ATOM 1844 N GLU A 120 -6.256 17.578 1.258 1.00 51.22 N ATOM 1845 CA GLU A 120 -6.094 17.513 -0.216 1.00 44.20 C ATOM 1846 C GLU A 120 -5.463 16.157 -0.625 1.00 64.12 C ATOM 1847 O GLU A 120 -5.953 15.471 -1.526 1.00 1.22 O ATOM 1848 CB GLU A 120 -5.230 18.704 -0.705 1.00 45.24 C ATOM 1849 CG GLU A 120 -4.940 18.718 -2.223 1.00 74.03 C ATOM 1850 CD GLU A 120 -4.197 19.983 -2.687 1.00 20.23 C ATOM 1851 OE1 GLU A 120 -2.985 20.111 -2.414 1.00 45.01 O ATOM 1852 OE2 GLU A 120 -4.826 20.869 -3.309 1.00 24.42 O ATOM 0 H GLU A 120 -5.669 18.280 1.708 1.00 51.22 H new ATOM 0 HA GLU A 120 -7.073 17.585 -0.690 1.00 44.20 H new ATOM 0 HB2 GLU A 120 -5.733 19.633 -0.438 1.00 45.24 H new ATOM 0 HB3 GLU A 120 -4.281 18.690 -0.169 1.00 45.24 H new ATOM 0 HG2 GLU A 120 -4.347 17.841 -2.481 1.00 74.03 H new ATOM 0 HG3 GLU A 120 -5.881 18.637 -2.767 1.00 74.03 H new ATOM 1859 N LEU A 121 -4.405 15.762 0.110 1.00 1.44 N ATOM 1860 CA LEU A 121 -3.706 14.471 -0.083 1.00 5.20 C ATOM 1861 C LEU A 121 -4.562 13.292 0.416 1.00 0.21 C ATOM 1862 O LEU A 121 -4.392 12.170 -0.040 1.00 23.32 O ATOM 1863 CB LEU A 121 -2.327 14.487 0.632 1.00 64.14 C ATOM 1864 CG LEU A 121 -1.272 15.474 0.040 1.00 12.52 C ATOM 1865 CD1 LEU A 121 0.023 15.493 0.881 1.00 65.22 C ATOM 1866 CD2 LEU A 121 -0.978 15.145 -1.440 1.00 3.24 C ATOM 0 H LEU A 121 -4.008 16.330 0.858 1.00 1.44 H new ATOM 0 HA LEU A 121 -3.542 14.335 -1.152 1.00 5.20 H new ATOM 0 HB2 LEU A 121 -2.485 14.738 1.681 1.00 64.14 H new ATOM 0 HB3 LEU A 121 -1.912 13.480 0.604 1.00 64.14 H new ATOM 0 HG LEU A 121 -1.697 16.477 0.082 1.00 12.52 H new ATOM 0 HD11 LEU A 121 0.734 16.191 0.439 1.00 65.22 H new ATOM 0 HD12 LEU A 121 -0.209 15.807 1.899 1.00 65.22 H new ATOM 0 HD13 LEU A 121 0.459 14.494 0.900 1.00 65.22 H new ATOM 0 HD21 LEU A 121 -0.240 15.847 -1.829 1.00 3.24 H new ATOM 0 HD22 LEU A 121 -0.589 14.130 -1.517 1.00 3.24 H new ATOM 0 HD23 LEU A 121 -1.897 15.226 -2.020 1.00 3.24 H new ATOM 1878 N GLU A 122 -5.479 13.565 1.358 1.00 62.35 N ATOM 1879 CA GLU A 122 -6.468 12.582 1.842 1.00 62.52 C ATOM 1880 C GLU A 122 -7.333 12.061 0.670 1.00 73.52 C ATOM 1881 O GLU A 122 -7.572 10.856 0.541 1.00 25.24 O ATOM 1882 CB GLU A 122 -7.355 13.253 2.917 1.00 63.43 C ATOM 1883 CG GLU A 122 -8.343 12.333 3.647 1.00 52.44 C ATOM 1884 CD GLU A 122 -9.379 13.116 4.474 1.00 72.44 C ATOM 1885 OE1 GLU A 122 -10.331 13.659 3.872 1.00 70.20 O ATOM 1886 OE2 GLU A 122 -9.240 13.212 5.716 1.00 72.15 O ATOM 0 H GLU A 122 -5.557 14.477 1.809 1.00 62.35 H new ATOM 0 HA GLU A 122 -5.950 11.728 2.279 1.00 62.52 H new ATOM 0 HB2 GLU A 122 -6.704 13.715 3.659 1.00 63.43 H new ATOM 0 HB3 GLU A 122 -7.920 14.056 2.444 1.00 63.43 H new ATOM 0 HG2 GLU A 122 -8.861 11.710 2.918 1.00 52.44 H new ATOM 0 HG3 GLU A 122 -7.791 11.661 4.305 1.00 52.44 H new ATOM 1893 N SER A 123 -7.797 13.004 -0.173 1.00 1.14 N ATOM 1894 CA SER A 123 -8.535 12.694 -1.416 1.00 61.15 C ATOM 1895 C SER A 123 -7.623 12.051 -2.503 1.00 42.22 C ATOM 1896 O SER A 123 -7.952 10.987 -3.022 1.00 62.32 O ATOM 1897 CB SER A 123 -9.196 13.975 -1.971 1.00 24.23 C ATOM 1898 OG SER A 123 -10.069 14.568 -1.021 1.00 44.13 O ATOM 0 H SER A 123 -7.671 14.003 -0.012 1.00 1.14 H new ATOM 0 HA SER A 123 -9.302 11.962 -1.163 1.00 61.15 H new ATOM 0 HB2 SER A 123 -8.424 14.691 -2.252 1.00 24.23 H new ATOM 0 HB3 SER A 123 -9.753 13.734 -2.877 1.00 24.23 H new ATOM 0 HG SER A 123 -10.469 15.377 -1.404 1.00 44.13 H new ATOM 1904 N VAL A 124 -6.485 12.706 -2.836 1.00 24.44 N ATOM 1905 CA VAL A 124 -5.566 12.261 -3.932 1.00 61.10 C ATOM 1906 C VAL A 124 -4.942 10.861 -3.658 1.00 32.40 C ATOM 1907 O VAL A 124 -5.065 9.939 -4.468 1.00 75.02 O ATOM 1908 CB VAL A 124 -4.401 13.315 -4.150 1.00 31.04 C ATOM 1909 CG1 VAL A 124 -3.371 12.835 -5.209 1.00 24.12 C ATOM 1910 CG2 VAL A 124 -4.967 14.711 -4.520 1.00 43.41 C ATOM 0 H VAL A 124 -6.172 13.553 -2.361 1.00 24.44 H new ATOM 0 HA VAL A 124 -6.176 12.188 -4.832 1.00 61.10 H new ATOM 0 HB VAL A 124 -3.872 13.404 -3.201 1.00 31.04 H new ATOM 0 HG11 VAL A 124 -2.591 13.588 -5.326 1.00 24.12 H new ATOM 0 HG12 VAL A 124 -2.923 11.897 -4.882 1.00 24.12 H new ATOM 0 HG13 VAL A 124 -3.875 12.683 -6.164 1.00 24.12 H new ATOM 0 HG21 VAL A 124 -4.144 15.411 -4.663 1.00 43.41 H new ATOM 0 HG22 VAL A 124 -5.544 14.637 -5.441 1.00 43.41 H new ATOM 0 HG23 VAL A 124 -5.611 15.067 -3.716 1.00 43.41 H new ATOM 1920 N ILE A 125 -4.291 10.733 -2.500 1.00 61.54 N ATOM 1921 CA ILE A 125 -3.559 9.512 -2.097 1.00 72.13 C ATOM 1922 C ILE A 125 -4.525 8.442 -1.516 1.00 71.01 C ATOM 1923 O ILE A 125 -4.603 7.334 -2.038 1.00 42.24 O ATOM 1924 CB ILE A 125 -2.425 9.875 -1.054 1.00 23.12 C ATOM 1925 CG1 ILE A 125 -1.399 10.884 -1.677 1.00 41.12 C ATOM 1926 CG2 ILE A 125 -1.712 8.616 -0.495 1.00 2.22 C ATOM 1927 CD1 ILE A 125 -0.308 11.363 -0.719 1.00 54.20 C ATOM 0 H ILE A 125 -4.252 11.477 -1.803 1.00 61.54 H new ATOM 0 HA ILE A 125 -3.092 9.085 -2.984 1.00 72.13 H new ATOM 0 HB ILE A 125 -2.909 10.359 -0.206 1.00 23.12 H new ATOM 0 HG12 ILE A 125 -0.925 10.413 -2.538 1.00 41.12 H new ATOM 0 HG13 ILE A 125 -1.944 11.752 -2.048 1.00 41.12 H new ATOM 0 HG21 ILE A 125 -0.943 8.919 0.216 1.00 2.22 H new ATOM 0 HG22 ILE A 125 -2.440 7.979 0.007 1.00 2.22 H new ATOM 0 HG23 ILE A 125 -1.251 8.065 -1.315 1.00 2.22 H new ATOM 0 HD11 ILE A 125 0.353 12.057 -1.238 1.00 54.20 H new ATOM 0 HD12 ILE A 125 -0.766 11.867 0.132 1.00 54.20 H new ATOM 0 HD13 ILE A 125 0.268 10.507 -0.367 1.00 54.20 H new ATOM 1939 N GLY A 126 -5.279 8.800 -0.455 1.00 44.31 N ATOM 1940 CA GLY A 126 -6.135 7.830 0.265 1.00 1.52 C ATOM 1941 C GLY A 126 -7.362 7.358 -0.528 1.00 34.24 C ATOM 1942 O GLY A 126 -7.483 6.176 -0.864 1.00 12.22 O ATOM 0 H GLY A 126 -5.313 9.747 -0.079 1.00 44.31 H new ATOM 0 HA2 GLY A 126 -5.534 6.961 0.532 1.00 1.52 H new ATOM 0 HA3 GLY A 126 -6.472 8.283 1.197 1.00 1.52 H new ATOM 1946 N ASP A 127 -8.267 8.296 -0.843 1.00 72.40 N ATOM 1947 CA ASP A 127 -9.522 7.991 -1.571 1.00 32.31 C ATOM 1948 C ASP A 127 -9.263 7.793 -3.094 1.00 43.43 C ATOM 1949 O ASP A 127 -10.098 7.239 -3.815 1.00 44.43 O ATOM 1950 CB ASP A 127 -10.558 9.118 -1.315 1.00 72.45 C ATOM 1951 CG ASP A 127 -11.988 8.742 -1.746 1.00 71.55 C ATOM 1952 OD1 ASP A 127 -12.701 8.075 -0.960 1.00 31.01 O ATOM 1953 OD2 ASP A 127 -12.407 9.102 -2.869 1.00 22.24 O ATOM 0 H ASP A 127 -8.158 9.282 -0.606 1.00 72.40 H new ATOM 0 HA ASP A 127 -9.925 7.051 -1.195 1.00 32.31 H new ATOM 0 HB2 ASP A 127 -10.560 9.366 -0.254 1.00 72.45 H new ATOM 0 HB3 ASP A 127 -10.249 10.015 -1.851 1.00 72.45 H new ATOM 1958 N GLY A 128 -8.089 8.248 -3.569 1.00 3.55 N ATOM 1959 CA GLY A 128 -7.672 8.065 -4.961 1.00 32.12 C ATOM 1960 C GLY A 128 -6.806 6.822 -5.152 1.00 22.34 C ATOM 1961 O GLY A 128 -7.334 5.739 -5.375 1.00 35.42 O ATOM 0 H GLY A 128 -7.409 8.750 -2.997 1.00 3.55 H new ATOM 0 HA2 GLY A 128 -8.556 7.990 -5.595 1.00 32.12 H new ATOM 0 HA3 GLY A 128 -7.118 8.944 -5.290 1.00 32.12 H new ATOM 1965 N VAL A 129 -5.479 6.987 -4.991 1.00 61.32 N ATOM 1966 CA VAL A 129 -4.447 5.939 -5.260 1.00 14.04 C ATOM 1967 C VAL A 129 -4.739 4.594 -4.529 1.00 15.01 C ATOM 1968 O VAL A 129 -4.687 3.510 -5.134 1.00 73.02 O ATOM 1969 CB VAL A 129 -3.018 6.470 -4.834 1.00 54.41 C ATOM 1970 CG1 VAL A 129 -1.900 5.422 -5.065 1.00 34.34 C ATOM 1971 CG2 VAL A 129 -2.681 7.800 -5.553 1.00 72.11 C ATOM 0 H VAL A 129 -5.076 7.865 -4.665 1.00 61.32 H new ATOM 0 HA VAL A 129 -4.476 5.737 -6.331 1.00 14.04 H new ATOM 0 HB VAL A 129 -3.062 6.656 -3.761 1.00 54.41 H new ATOM 0 HG11 VAL A 129 -0.941 5.839 -4.756 1.00 34.34 H new ATOM 0 HG12 VAL A 129 -2.113 4.528 -4.479 1.00 34.34 H new ATOM 0 HG13 VAL A 129 -1.858 5.161 -6.123 1.00 34.34 H new ATOM 0 HG21 VAL A 129 -1.694 8.142 -5.242 1.00 72.11 H new ATOM 0 HG22 VAL A 129 -2.687 7.642 -6.632 1.00 72.11 H new ATOM 0 HG23 VAL A 129 -3.425 8.553 -5.292 1.00 72.11 H new ATOM 1981 N PHE A 130 -5.071 4.694 -3.236 1.00 55.33 N ATOM 1982 CA PHE A 130 -5.248 3.525 -2.347 1.00 52.42 C ATOM 1983 C PHE A 130 -6.580 2.813 -2.611 1.00 64.05 C ATOM 1984 O PHE A 130 -6.609 1.590 -2.738 1.00 63.04 O ATOM 1985 CB PHE A 130 -5.137 3.947 -0.848 1.00 42.45 C ATOM 1986 CG PHE A 130 -3.735 4.343 -0.364 1.00 1.41 C ATOM 1987 CD1 PHE A 130 -2.730 4.737 -1.252 1.00 62.43 C ATOM 1988 CD2 PHE A 130 -3.420 4.290 0.991 1.00 31.42 C ATOM 1989 CE1 PHE A 130 -1.469 5.064 -0.800 1.00 73.04 C ATOM 1990 CE2 PHE A 130 -2.157 4.613 1.438 1.00 64.45 C ATOM 1991 CZ PHE A 130 -1.182 4.998 0.543 1.00 5.35 C ATOM 0 H PHE A 130 -5.226 5.588 -2.770 1.00 55.33 H new ATOM 0 HA PHE A 130 -4.446 2.820 -2.568 1.00 52.42 H new ATOM 0 HB2 PHE A 130 -5.810 4.787 -0.677 1.00 42.45 H new ATOM 0 HB3 PHE A 130 -5.493 3.122 -0.231 1.00 42.45 H new ATOM 0 HD1 PHE A 130 -2.945 4.786 -2.309 1.00 62.43 H new ATOM 0 HD2 PHE A 130 -4.176 3.992 1.702 1.00 31.42 H new ATOM 0 HE1 PHE A 130 -0.707 5.372 -1.501 1.00 73.04 H new ATOM 0 HE2 PHE A 130 -1.930 4.564 2.493 1.00 64.45 H new ATOM 0 HZ PHE A 130 -0.193 5.248 0.897 1.00 5.35 H new ATOM 2001 N ALA A 131 -7.678 3.589 -2.687 1.00 52.40 N ATOM 2002 CA ALA A 131 -9.017 3.042 -3.009 1.00 73.32 C ATOM 2003 C ALA A 131 -9.028 2.322 -4.378 1.00 63.32 C ATOM 2004 O ALA A 131 -9.588 1.243 -4.502 1.00 72.51 O ATOM 2005 CB ALA A 131 -10.072 4.154 -2.971 1.00 42.02 C ATOM 0 H ALA A 131 -7.668 4.597 -2.530 1.00 52.40 H new ATOM 0 HA ALA A 131 -9.263 2.299 -2.250 1.00 73.32 H new ATOM 0 HB1 ALA A 131 -11.050 3.736 -3.210 1.00 42.02 H new ATOM 0 HB2 ALA A 131 -10.099 4.596 -1.975 1.00 42.02 H new ATOM 0 HB3 ALA A 131 -9.818 4.922 -3.701 1.00 42.02 H new ATOM 2011 N VAL A 132 -8.361 2.918 -5.375 1.00 14.25 N ATOM 2012 CA VAL A 132 -8.192 2.330 -6.727 1.00 74.00 C ATOM 2013 C VAL A 132 -7.502 0.931 -6.677 1.00 51.10 C ATOM 2014 O VAL A 132 -8.050 -0.054 -7.192 1.00 43.53 O ATOM 2015 CB VAL A 132 -7.382 3.334 -7.651 1.00 65.42 C ATOM 2016 CG1 VAL A 132 -6.677 2.631 -8.830 1.00 62.44 C ATOM 2017 CG2 VAL A 132 -8.294 4.478 -8.166 1.00 64.23 C ATOM 0 H VAL A 132 -7.916 3.830 -5.273 1.00 14.25 H new ATOM 0 HA VAL A 132 -9.183 2.173 -7.153 1.00 74.00 H new ATOM 0 HB VAL A 132 -6.599 3.762 -7.024 1.00 65.42 H new ATOM 0 HG11 VAL A 132 -6.140 3.369 -9.425 1.00 62.44 H new ATOM 0 HG12 VAL A 132 -5.973 1.893 -8.445 1.00 62.44 H new ATOM 0 HG13 VAL A 132 -7.420 2.133 -9.453 1.00 62.44 H new ATOM 0 HG21 VAL A 132 -7.713 5.151 -8.796 1.00 64.23 H new ATOM 0 HG22 VAL A 132 -9.115 4.056 -8.746 1.00 64.23 H new ATOM 0 HG23 VAL A 132 -8.696 5.032 -7.318 1.00 64.23 H new ATOM 2027 N GLY A 133 -6.320 0.871 -6.036 1.00 1.13 N ATOM 2028 CA GLY A 133 -5.518 -0.360 -5.974 1.00 50.02 C ATOM 2029 C GLY A 133 -6.171 -1.479 -5.157 1.00 51.12 C ATOM 2030 O GLY A 133 -6.219 -2.630 -5.596 1.00 52.33 O ATOM 0 H GLY A 133 -5.900 1.665 -5.553 1.00 1.13 H new ATOM 0 HA2 GLY A 133 -5.340 -0.719 -6.988 1.00 50.02 H new ATOM 0 HA3 GLY A 133 -4.544 -0.128 -5.542 1.00 50.02 H new ATOM 2034 N LEU A 134 -6.682 -1.123 -3.965 1.00 32.32 N ATOM 2035 CA LEU A 134 -7.359 -2.071 -3.047 1.00 12.12 C ATOM 2036 C LEU A 134 -8.664 -2.636 -3.650 1.00 72.24 C ATOM 2037 O LEU A 134 -8.935 -3.834 -3.525 1.00 10.21 O ATOM 2038 CB LEU A 134 -7.644 -1.392 -1.682 1.00 73.13 C ATOM 2039 CG LEU A 134 -6.393 -1.059 -0.809 1.00 21.31 C ATOM 2040 CD1 LEU A 134 -6.811 -0.409 0.522 1.00 71.40 C ATOM 2041 CD2 LEU A 134 -5.530 -2.316 -0.576 1.00 3.32 C ATOM 0 H LEU A 134 -6.640 -0.169 -3.606 1.00 32.32 H new ATOM 0 HA LEU A 134 -6.682 -2.912 -2.894 1.00 12.12 H new ATOM 0 HB2 LEU A 134 -8.191 -0.467 -1.866 1.00 73.13 H new ATOM 0 HB3 LEU A 134 -8.302 -2.042 -1.106 1.00 73.13 H new ATOM 0 HG LEU A 134 -5.782 -0.338 -1.352 1.00 21.31 H new ATOM 0 HD11 LEU A 134 -5.923 -0.186 1.113 1.00 71.40 H new ATOM 0 HD12 LEU A 134 -7.354 0.514 0.321 1.00 71.40 H new ATOM 0 HD13 LEU A 134 -7.453 -1.094 1.076 1.00 71.40 H new ATOM 0 HD21 LEU A 134 -4.666 -2.056 0.035 1.00 3.32 H new ATOM 0 HD22 LEU A 134 -6.122 -3.074 -0.063 1.00 3.32 H new ATOM 0 HD23 LEU A 134 -5.192 -2.708 -1.535 1.00 3.32 H new ATOM 2053 N ASN A 135 -9.459 -1.769 -4.315 1.00 71.30 N ATOM 2054 CA ASN A 135 -10.708 -2.202 -4.980 1.00 52.24 C ATOM 2055 C ASN A 135 -10.398 -3.155 -6.155 1.00 72.23 C ATOM 2056 O ASN A 135 -11.069 -4.167 -6.309 1.00 5.45 O ATOM 2057 CB ASN A 135 -11.574 -1.001 -5.457 1.00 72.22 C ATOM 2058 CG ASN A 135 -12.248 -0.234 -4.308 1.00 2.10 C ATOM 2059 OD1 ASN A 135 -12.554 -0.793 -3.259 1.00 23.12 O ATOM 2060 ND2 ASN A 135 -12.500 1.046 -4.506 1.00 31.32 N ATOM 0 H ASN A 135 -9.260 -0.773 -4.405 1.00 71.30 H new ATOM 0 HA ASN A 135 -11.295 -2.741 -4.236 1.00 52.24 H new ATOM 0 HB2 ASN A 135 -10.946 -0.313 -6.023 1.00 72.22 H new ATOM 0 HB3 ASN A 135 -12.342 -1.366 -6.139 1.00 72.22 H new ATOM 0 HD21 ASN A 135 -12.959 1.594 -3.778 1.00 31.32 H new ATOM 0 HD22 ASN A 135 -12.236 1.488 -5.387 1.00 31.32 H new ATOM 2067 N ALA A 136 -9.349 -2.838 -6.945 1.00 24.12 N ATOM 2068 CA ALA A 136 -8.884 -3.707 -8.060 1.00 0.32 C ATOM 2069 C ALA A 136 -8.408 -5.089 -7.544 1.00 45.03 C ATOM 2070 O ALA A 136 -8.681 -6.126 -8.166 1.00 3.23 O ATOM 2071 CB ALA A 136 -7.760 -3.002 -8.840 1.00 64.13 C ATOM 0 H ALA A 136 -8.803 -1.984 -6.834 1.00 24.12 H new ATOM 0 HA ALA A 136 -9.727 -3.882 -8.729 1.00 0.32 H new ATOM 0 HB1 ALA A 136 -7.424 -3.644 -9.655 1.00 64.13 H new ATOM 0 HB2 ALA A 136 -8.134 -2.063 -9.248 1.00 64.13 H new ATOM 0 HB3 ALA A 136 -6.924 -2.799 -8.170 1.00 64.13 H new ATOM 2077 N LEU A 137 -7.723 -5.083 -6.382 1.00 13.11 N ATOM 2078 CA LEU A 137 -7.264 -6.313 -5.694 1.00 2.40 C ATOM 2079 C LEU A 137 -8.485 -7.167 -5.252 1.00 4.34 C ATOM 2080 O LEU A 137 -8.475 -8.394 -5.360 1.00 42.15 O ATOM 2081 CB LEU A 137 -6.344 -5.916 -4.486 1.00 32.32 C ATOM 2082 CG LEU A 137 -5.529 -7.068 -3.784 1.00 21.44 C ATOM 2083 CD1 LEU A 137 -4.286 -6.519 -3.048 1.00 25.11 C ATOM 2084 CD2 LEU A 137 -6.384 -7.909 -2.810 1.00 5.13 C ATOM 0 H LEU A 137 -7.471 -4.225 -5.891 1.00 13.11 H new ATOM 0 HA LEU A 137 -6.676 -6.929 -6.375 1.00 2.40 H new ATOM 0 HB2 LEU A 137 -5.634 -5.166 -4.836 1.00 32.32 H new ATOM 0 HB3 LEU A 137 -6.968 -5.437 -3.731 1.00 32.32 H new ATOM 0 HG LEU A 137 -5.205 -7.728 -4.589 1.00 21.44 H new ATOM 0 HD11 LEU A 137 -3.749 -7.342 -2.576 1.00 25.11 H new ATOM 0 HD12 LEU A 137 -3.631 -6.021 -3.762 1.00 25.11 H new ATOM 0 HD13 LEU A 137 -4.600 -5.806 -2.285 1.00 25.11 H new ATOM 0 HD21 LEU A 137 -5.765 -8.685 -2.359 1.00 5.13 H new ATOM 0 HD22 LEU A 137 -6.784 -7.264 -2.028 1.00 5.13 H new ATOM 0 HD23 LEU A 137 -7.207 -8.372 -3.355 1.00 5.13 H new ATOM 2096 N ALA A 138 -9.530 -6.496 -4.766 1.00 61.12 N ATOM 2097 CA ALA A 138 -10.784 -7.156 -4.354 1.00 71.11 C ATOM 2098 C ALA A 138 -11.595 -7.673 -5.571 1.00 65.03 C ATOM 2099 O ALA A 138 -12.267 -8.695 -5.470 1.00 42.43 O ATOM 2100 CB ALA A 138 -11.625 -6.180 -3.530 1.00 23.14 C ATOM 0 H ALA A 138 -9.538 -5.483 -4.644 1.00 61.12 H new ATOM 0 HA ALA A 138 -10.526 -8.025 -3.748 1.00 71.11 H new ATOM 0 HB1 ALA A 138 -12.552 -6.666 -3.225 1.00 23.14 H new ATOM 0 HB2 ALA A 138 -11.066 -5.876 -2.645 1.00 23.14 H new ATOM 0 HB3 ALA A 138 -11.857 -5.302 -4.132 1.00 23.14 H new ATOM 2106 N GLU A 139 -11.521 -6.949 -6.712 1.00 35.01 N ATOM 2107 CA GLU A 139 -12.300 -7.254 -7.945 1.00 5.13 C ATOM 2108 C GLU A 139 -11.736 -8.458 -8.735 1.00 14.22 C ATOM 2109 O GLU A 139 -12.512 -9.202 -9.351 1.00 31.05 O ATOM 2110 CB GLU A 139 -12.392 -5.990 -8.848 1.00 72.30 C ATOM 2111 CG GLU A 139 -13.330 -4.892 -8.297 1.00 21.31 C ATOM 2112 CD GLU A 139 -13.297 -3.606 -9.134 1.00 64.13 C ATOM 2113 OE1 GLU A 139 -13.894 -3.596 -10.233 1.00 51.22 O ATOM 2114 OE2 GLU A 139 -12.682 -2.605 -8.701 1.00 21.12 O ATOM 0 H GLU A 139 -10.918 -6.132 -6.808 1.00 35.01 H new ATOM 0 HA GLU A 139 -13.302 -7.542 -7.626 1.00 5.13 H new ATOM 0 HB2 GLU A 139 -11.393 -5.572 -8.973 1.00 72.30 H new ATOM 0 HB3 GLU A 139 -12.739 -6.287 -9.838 1.00 72.30 H new ATOM 0 HG2 GLU A 139 -14.350 -5.274 -8.267 1.00 21.31 H new ATOM 0 HG3 GLU A 139 -13.046 -4.659 -7.271 1.00 21.31 H new ATOM 2121 N ARG A 140 -10.400 -8.655 -8.719 1.00 43.13 N ATOM 2122 CA ARG A 140 -9.772 -9.848 -9.356 1.00 15.32 C ATOM 2123 C ARG A 140 -10.163 -11.157 -8.612 1.00 53.33 C ATOM 2124 O ARG A 140 -10.288 -12.215 -9.225 1.00 62.43 O ATOM 2125 CB ARG A 140 -8.225 -9.718 -9.439 1.00 24.14 C ATOM 2126 CG ARG A 140 -7.510 -9.487 -8.090 1.00 42.10 C ATOM 2127 CD ARG A 140 -6.019 -9.875 -8.111 1.00 13.41 C ATOM 2128 NE ARG A 140 -5.261 -9.232 -9.202 1.00 42.31 N ATOM 2129 CZ ARG A 140 -4.262 -9.783 -9.867 1.00 45.20 C ATOM 2130 NH1 ARG A 140 -3.872 -10.996 -9.621 1.00 0.03 N ATOM 2131 NH2 ARG A 140 -3.664 -9.111 -10.789 1.00 63.22 N ATOM 0 H ARG A 140 -9.737 -8.016 -8.280 1.00 43.13 H new ATOM 0 HA ARG A 140 -10.157 -9.898 -10.374 1.00 15.32 H new ATOM 0 HB2 ARG A 140 -7.824 -10.624 -9.894 1.00 24.14 H new ATOM 0 HB3 ARG A 140 -7.981 -8.892 -10.107 1.00 24.14 H new ATOM 0 HG2 ARG A 140 -7.600 -8.436 -7.815 1.00 42.10 H new ATOM 0 HG3 ARG A 140 -8.017 -10.063 -7.316 1.00 42.10 H new ATOM 0 HD2 ARG A 140 -5.567 -9.605 -7.156 1.00 13.41 H new ATOM 0 HD3 ARG A 140 -5.934 -10.957 -8.209 1.00 13.41 H new ATOM 0 HE ARG A 140 -5.531 -8.284 -9.464 1.00 42.31 H new ATOM 0 HH11 ARG A 140 -4.340 -11.546 -8.900 1.00 0.03 H new ATOM 0 HH12 ARG A 140 -3.098 -11.400 -10.148 1.00 0.03 H new ATOM 0 HH21 ARG A 140 -3.963 -8.159 -11.002 1.00 63.22 H new ATOM 0 HH22 ARG A 140 -2.892 -9.531 -11.306 1.00 63.22 H new ATOM 2145 N TYR A 141 -10.362 -11.060 -7.281 1.00 13.42 N ATOM 2146 CA TYR A 141 -10.887 -12.176 -6.453 1.00 53.31 C ATOM 2147 C TYR A 141 -12.436 -12.096 -6.343 1.00 13.12 C ATOM 2148 O TYR A 141 -13.083 -13.049 -5.907 1.00 63.10 O ATOM 2149 CB TYR A 141 -10.234 -12.147 -5.042 1.00 74.24 C ATOM 2150 CG TYR A 141 -8.713 -12.417 -5.036 1.00 11.35 C ATOM 2151 CD1 TYR A 141 -8.207 -13.690 -5.332 1.00 35.42 C ATOM 2152 CD2 TYR A 141 -7.786 -11.415 -4.723 1.00 63.24 C ATOM 2153 CE1 TYR A 141 -6.846 -13.944 -5.318 1.00 11.11 C ATOM 2154 CE2 TYR A 141 -6.430 -11.667 -4.708 1.00 52.15 C ATOM 2155 CZ TYR A 141 -5.962 -12.928 -5.004 1.00 11.32 C ATOM 2156 OH TYR A 141 -4.605 -13.178 -4.996 1.00 65.24 O ATOM 0 H TYR A 141 -10.166 -10.213 -6.748 1.00 13.42 H new ATOM 0 HA TYR A 141 -10.631 -13.119 -6.936 1.00 53.31 H new ATOM 0 HB2 TYR A 141 -10.419 -11.173 -4.589 1.00 74.24 H new ATOM 0 HB3 TYR A 141 -10.725 -12.889 -4.413 1.00 74.24 H new ATOM 0 HD1 TYR A 141 -8.892 -14.488 -5.576 1.00 35.42 H new ATOM 0 HD2 TYR A 141 -8.141 -10.422 -4.488 1.00 63.24 H new ATOM 0 HE1 TYR A 141 -6.476 -14.932 -5.551 1.00 11.11 H new ATOM 0 HE2 TYR A 141 -5.736 -10.876 -4.464 1.00 52.15 H new ATOM 0 HH TYR A 141 -4.123 -12.359 -4.757 1.00 65.24 H new ATOM 2166 N GLY A 142 -13.013 -10.956 -6.782 1.00 72.10 N ATOM 2167 CA GLY A 142 -14.466 -10.697 -6.709 1.00 34.14 C ATOM 2168 C GLY A 142 -15.296 -11.407 -7.788 1.00 21.24 C ATOM 2169 O GLY A 142 -16.492 -11.139 -7.928 1.00 14.44 O ATOM 0 H GLY A 142 -12.483 -10.190 -7.197 1.00 72.10 H new ATOM 0 HA2 GLY A 142 -14.828 -11.006 -5.728 1.00 34.14 H new ATOM 0 HA3 GLY A 142 -14.635 -9.623 -6.787 1.00 34.14 H new