USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 6 THR OG1 : rot 160:sc= 0.00865 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00537 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.029 (180deg=0.0271) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 2.13 (180deg=1.94) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 53 SER OG : rot -160:sc= -0.0631 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 151:sc= -0.107 (180deg=-0.882) USER MOD Single : A 66 GLN : amide:sc= 0.0241 X(o=0.024,f=0) USER MOD Single : A 70 SER OG : rot -149:sc= 1.34 USER MOD Single : A 71 THR OG1 : rot -32:sc= 0.0781 USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-1.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -10.251 -11.876 6.459 1.00 3.33 N ATOM 42 CA LEU A 4 -10.493 -10.760 5.559 1.00 13.23 C ATOM 43 C LEU A 4 -9.647 -11.005 4.311 1.00 33.23 C ATOM 44 O LEU A 4 -8.481 -11.377 4.434 1.00 2.23 O ATOM 45 CB LEU A 4 -10.011 -9.464 6.218 1.00 13.44 C ATOM 46 CG LEU A 4 -10.927 -8.758 7.236 1.00 25.31 C ATOM 47 CD1 LEU A 4 -12.030 -7.987 6.518 1.00 5.34 C ATOM 48 CD2 LEU A 4 -11.534 -9.674 8.306 1.00 2.13 C ATOM 0 HA LEU A 4 -11.553 -10.676 5.321 1.00 13.23 H new ATOM 0 HB2 LEU A 4 -9.068 -9.681 6.719 1.00 13.44 H new ATOM 0 HB3 LEU A 4 -9.793 -8.752 5.422 1.00 13.44 H new ATOM 0 HG LEU A 4 -10.274 -8.073 7.776 1.00 25.31 H new ATOM 0 HD11 LEU A 4 -12.667 -7.495 7.253 1.00 5.34 H new ATOM 0 HD12 LEU A 4 -11.584 -7.237 5.864 1.00 5.34 H new ATOM 0 HD13 LEU A 4 -12.628 -8.677 5.923 1.00 5.34 H new ATOM 0 HD21 LEU A 4 -12.162 -9.086 8.975 1.00 2.13 H new ATOM 0 HD22 LEU A 4 -12.137 -10.445 7.826 1.00 2.13 H new ATOM 0 HD23 LEU A 4 -10.735 -10.144 8.879 1.00 2.13 H new ATOM 59 N SER A 5 -10.213 -10.790 3.130 1.00 22.22 N ATOM 60 CA SER A 5 -9.484 -10.889 1.872 1.00 32.53 C ATOM 61 C SER A 5 -8.655 -9.622 1.641 1.00 73.10 C ATOM 62 O SER A 5 -8.987 -8.576 2.211 1.00 12.35 O ATOM 63 CB SER A 5 -10.491 -11.042 0.731 1.00 74.50 C ATOM 64 OG SER A 5 -11.652 -11.741 1.132 1.00 3.05 O ATOM 0 H SER A 5 -11.196 -10.541 3.017 1.00 22.22 H new ATOM 0 HA SER A 5 -8.816 -11.749 1.908 1.00 32.53 H new ATOM 0 HB2 SER A 5 -10.772 -10.055 0.363 1.00 74.50 H new ATOM 0 HB3 SER A 5 -10.020 -11.570 -0.098 1.00 74.50 H new ATOM 0 HG SER A 5 -12.268 -11.814 0.373 1.00 3.05 H new ATOM 69 N THR A 6 -7.677 -9.665 0.726 1.00 1.25 N ATOM 70 CA THR A 6 -6.950 -8.464 0.333 1.00 45.40 C ATOM 71 C THR A 6 -7.935 -7.399 -0.188 1.00 74.20 C ATOM 72 O THR A 6 -7.776 -6.219 0.154 1.00 34.24 O ATOM 73 CB THR A 6 -5.777 -8.810 -0.613 1.00 10.01 C ATOM 74 OG1 THR A 6 -4.805 -9.585 0.060 1.00 32.55 O ATOM 75 CG2 THR A 6 -5.078 -7.551 -1.150 1.00 13.11 C ATOM 0 H THR A 6 -7.377 -10.516 0.250 1.00 1.25 H new ATOM 0 HA THR A 6 -6.468 -8.010 1.199 1.00 45.40 H new ATOM 0 HB THR A 6 -6.209 -9.367 -1.444 1.00 10.01 H new ATOM 0 HG1 THR A 6 -4.252 -10.058 -0.596 1.00 32.55 H new ATOM 0 HG21 THR A 6 -4.261 -7.842 -1.810 1.00 13.11 H new ATOM 0 HG22 THR A 6 -5.795 -6.946 -1.705 1.00 13.11 H new ATOM 0 HG23 THR A 6 -4.682 -6.971 -0.316 1.00 13.11 H new ATOM 83 N ASP A 7 -8.966 -7.799 -0.948 1.00 22.21 N ATOM 84 CA ASP A 7 -9.917 -6.894 -1.596 1.00 31.24 C ATOM 85 C ASP A 7 -10.713 -6.091 -0.574 1.00 2.11 C ATOM 86 O ASP A 7 -11.004 -4.910 -0.791 1.00 30.23 O ATOM 87 CB ASP A 7 -10.854 -7.634 -2.562 1.00 10.24 C ATOM 88 CG ASP A 7 -12.244 -7.994 -2.022 1.00 62.41 C ATOM 89 OD1 ASP A 7 -12.392 -9.011 -1.310 1.00 34.15 O ATOM 90 OD2 ASP A 7 -13.220 -7.302 -2.405 1.00 44.20 O ATOM 0 H ASP A 7 -9.163 -8.783 -1.131 1.00 22.21 H new ATOM 0 HA ASP A 7 -9.327 -6.194 -2.188 1.00 31.24 H new ATOM 0 HB2 ASP A 7 -10.982 -7.018 -3.452 1.00 10.24 H new ATOM 0 HB3 ASP A 7 -10.362 -8.554 -2.878 1.00 10.24 H new ATOM 94 N ILE A 8 -11.051 -6.735 0.545 1.00 63.21 N ATOM 95 CA ILE A 8 -11.933 -6.181 1.554 1.00 3.02 C ATOM 96 C ILE A 8 -11.257 -4.994 2.224 1.00 71.21 C ATOM 97 O ILE A 8 -11.900 -3.960 2.425 1.00 4.21 O ATOM 98 CB ILE A 8 -12.354 -7.246 2.582 1.00 25.14 C ATOM 99 CG1 ILE A 8 -13.028 -8.462 1.939 1.00 64.10 C ATOM 100 CG2 ILE A 8 -13.324 -6.606 3.588 1.00 24.12 C ATOM 101 CD1 ILE A 8 -14.319 -8.175 1.176 1.00 14.22 C ATOM 0 H ILE A 8 -10.710 -7.669 0.772 1.00 63.21 H new ATOM 0 HA ILE A 8 -12.847 -5.836 1.070 1.00 3.02 H new ATOM 0 HB ILE A 8 -11.449 -7.603 3.074 1.00 25.14 H new ATOM 0 HG12 ILE A 8 -12.319 -8.928 1.255 1.00 64.10 H new ATOM 0 HG13 ILE A 8 -13.243 -9.191 2.720 1.00 64.10 H new ATOM 0 HG21 ILE A 8 -13.630 -7.351 4.323 1.00 24.12 H new ATOM 0 HG22 ILE A 8 -12.828 -5.778 4.095 1.00 24.12 H new ATOM 0 HG23 ILE A 8 -14.202 -6.234 3.060 1.00 24.12 H new ATOM 0 HD11 ILE A 8 -14.711 -9.104 0.762 1.00 14.22 H new ATOM 0 HD12 ILE A 8 -15.054 -7.741 1.854 1.00 14.22 H new ATOM 0 HD13 ILE A 8 -14.115 -7.475 0.366 1.00 14.22 H new ATOM 112 N TRP A 9 -9.978 -5.133 2.586 1.00 4.15 N ATOM 113 CA TRP A 9 -9.254 -4.052 3.232 1.00 53.02 C ATOM 114 C TRP A 9 -9.225 -2.840 2.321 1.00 51.13 C ATOM 115 O TRP A 9 -9.646 -1.773 2.756 1.00 61.10 O ATOM 116 CB TRP A 9 -7.841 -4.477 3.600 1.00 71.21 C ATOM 117 CG TRP A 9 -7.736 -5.688 4.472 1.00 14.01 C ATOM 118 CD1 TRP A 9 -8.457 -5.946 5.582 1.00 4.45 C ATOM 119 CD2 TRP A 9 -6.846 -6.824 4.312 1.00 70.12 C ATOM 120 NE1 TRP A 9 -8.027 -7.130 6.146 1.00 10.15 N ATOM 121 CE2 TRP A 9 -7.079 -7.751 5.364 1.00 3.45 C ATOM 122 CE3 TRP A 9 -5.860 -7.150 3.369 1.00 61.10 C ATOM 123 CZ2 TRP A 9 -6.411 -8.979 5.438 1.00 2.02 C ATOM 124 CZ3 TRP A 9 -5.162 -8.372 3.437 1.00 74.41 C ATOM 125 CH2 TRP A 9 -5.451 -9.293 4.461 1.00 50.32 C ATOM 0 H TRP A 9 -9.431 -5.982 2.440 1.00 4.15 H new ATOM 0 HA TRP A 9 -9.771 -3.794 4.156 1.00 53.02 H new ATOM 0 HB2 TRP A 9 -7.286 -4.664 2.681 1.00 71.21 H new ATOM 0 HB3 TRP A 9 -7.350 -3.645 4.104 1.00 71.21 H new ATOM 0 HD1 TRP A 9 -9.249 -5.322 5.970 1.00 4.45 H new ATOM 0 HE1 TRP A 9 -8.369 -7.500 7.033 1.00 10.15 H new ATOM 0 HE3 TRP A 9 -5.632 -6.452 2.577 1.00 61.10 H new ATOM 0 HZ2 TRP A 9 -6.630 -9.675 6.234 1.00 2.02 H new ATOM 0 HZ3 TRP A 9 -4.404 -8.602 2.703 1.00 74.41 H new ATOM 0 HH2 TRP A 9 -4.935 -10.241 4.496 1.00 50.32 H new ATOM 135 N VAL A 10 -8.805 -3.011 1.059 1.00 71.11 N ATOM 136 CA VAL A 10 -8.742 -1.903 0.107 1.00 64.11 C ATOM 137 C VAL A 10 -10.093 -1.199 0.028 1.00 21.45 C ATOM 138 O VAL A 10 -10.144 0.030 0.067 1.00 50.21 O ATOM 139 CB VAL A 10 -8.296 -2.377 -1.288 1.00 42.22 C ATOM 140 CG1 VAL A 10 -8.107 -1.194 -2.246 1.00 65.51 C ATOM 141 CG2 VAL A 10 -6.960 -3.098 -1.240 1.00 52.34 C ATOM 0 H VAL A 10 -8.505 -3.908 0.678 1.00 71.11 H new ATOM 0 HA VAL A 10 -7.994 -1.196 0.466 1.00 64.11 H new ATOM 0 HB VAL A 10 -9.084 -3.045 -1.634 1.00 42.22 H new ATOM 0 HG11 VAL A 10 -7.792 -1.563 -3.222 1.00 65.51 H new ATOM 0 HG12 VAL A 10 -9.049 -0.655 -2.349 1.00 65.51 H new ATOM 0 HG13 VAL A 10 -7.346 -0.522 -1.849 1.00 65.51 H new ATOM 0 HG21 VAL A 10 -6.682 -3.416 -2.245 1.00 52.34 H new ATOM 0 HG22 VAL A 10 -6.197 -2.425 -0.848 1.00 52.34 H new ATOM 0 HG23 VAL A 10 -7.041 -3.971 -0.593 1.00 52.34 H new ATOM 151 N ALA A 11 -11.181 -1.966 -0.070 1.00 71.11 N ATOM 152 CA ALA A 11 -12.488 -1.408 -0.347 1.00 63.43 C ATOM 153 C ALA A 11 -12.919 -0.399 0.713 1.00 21.52 C ATOM 154 O ALA A 11 -13.384 0.690 0.363 1.00 25.41 O ATOM 155 CB ALA A 11 -13.510 -2.549 -0.460 1.00 62.42 C ATOM 0 H ALA A 11 -11.173 -2.980 0.041 1.00 71.11 H new ATOM 0 HA ALA A 11 -12.435 -0.866 -1.291 1.00 63.43 H new ATOM 0 HB1 ALA A 11 -14.496 -2.135 -0.669 1.00 62.42 H new ATOM 0 HB2 ALA A 11 -13.219 -3.219 -1.269 1.00 62.42 H new ATOM 0 HB3 ALA A 11 -13.541 -3.104 0.477 1.00 62.42 H new ATOM 161 N ALA A 12 -12.761 -0.749 1.993 1.00 44.21 N ATOM 162 CA ALA A 12 -13.046 0.185 3.067 1.00 33.52 C ATOM 163 C ALA A 12 -11.928 1.217 3.181 1.00 14.01 C ATOM 164 O ALA A 12 -12.243 2.394 3.268 1.00 23.35 O ATOM 165 CB ALA A 12 -13.277 -0.540 4.387 1.00 62.10 C ATOM 0 H ALA A 12 -12.440 -1.667 2.301 1.00 44.21 H new ATOM 0 HA ALA A 12 -13.970 0.711 2.828 1.00 33.52 H new ATOM 0 HB1 ALA A 12 -13.488 0.188 5.170 1.00 62.10 H new ATOM 0 HB2 ALA A 12 -14.123 -1.219 4.286 1.00 62.10 H new ATOM 0 HB3 ALA A 12 -12.385 -1.108 4.651 1.00 62.10 H new ATOM 171 N LEU A 13 -10.650 0.834 3.179 1.00 33.22 N ATOM 172 CA LEU A 13 -9.499 1.740 3.271 1.00 71.44 C ATOM 173 C LEU A 13 -9.666 2.952 2.355 1.00 73.10 C ATOM 174 O LEU A 13 -9.509 4.075 2.826 1.00 41.24 O ATOM 175 CB LEU A 13 -8.206 0.968 2.947 1.00 61.13 C ATOM 176 CG LEU A 13 -6.977 1.854 2.665 1.00 23.55 C ATOM 177 CD1 LEU A 13 -6.515 2.597 3.921 1.00 72.43 C ATOM 178 CD2 LEU A 13 -5.847 0.964 2.142 1.00 65.22 C ATOM 0 H LEU A 13 -10.377 -0.146 3.111 1.00 33.22 H new ATOM 0 HA LEU A 13 -9.436 2.120 4.291 1.00 71.44 H new ATOM 0 HB2 LEU A 13 -7.975 0.307 3.782 1.00 61.13 H new ATOM 0 HB3 LEU A 13 -8.386 0.334 2.079 1.00 61.13 H new ATOM 0 HG LEU A 13 -7.249 2.606 1.924 1.00 23.55 H new ATOM 0 HD11 LEU A 13 -5.647 3.211 3.682 1.00 72.43 H new ATOM 0 HD12 LEU A 13 -7.321 3.234 4.284 1.00 72.43 H new ATOM 0 HD13 LEU A 13 -6.248 1.875 4.693 1.00 72.43 H new ATOM 0 HD21 LEU A 13 -4.968 1.575 1.937 1.00 65.22 H new ATOM 0 HD22 LEU A 13 -5.599 0.212 2.891 1.00 65.22 H new ATOM 0 HD23 LEU A 13 -6.168 0.470 1.225 1.00 65.22 H new ATOM 189 N ILE A 14 -10.025 2.736 1.087 1.00 73.11 N ATOM 190 CA ILE A 14 -10.299 3.810 0.136 1.00 62.21 C ATOM 191 C ILE A 14 -11.335 4.778 0.708 1.00 12.02 C ATOM 192 O ILE A 14 -11.112 5.986 0.736 1.00 21.43 O ATOM 193 CB ILE A 14 -10.692 3.184 -1.230 1.00 52.02 C ATOM 194 CG1 ILE A 14 -9.449 2.607 -1.937 1.00 62.43 C ATOM 195 CG2 ILE A 14 -11.378 4.197 -2.165 1.00 43.42 C ATOM 196 CD1 ILE A 14 -8.289 3.576 -2.103 1.00 22.44 C ATOM 0 H ILE A 14 -10.134 1.802 0.691 1.00 73.11 H new ATOM 0 HA ILE A 14 -9.409 4.415 -0.039 1.00 62.21 H new ATOM 0 HB ILE A 14 -11.404 2.387 -1.014 1.00 52.02 H new ATOM 0 HG12 ILE A 14 -9.100 1.741 -1.374 1.00 62.43 H new ATOM 0 HG13 ILE A 14 -9.745 2.248 -2.923 1.00 62.43 H new ATOM 0 HG21 ILE A 14 -11.632 3.709 -3.106 1.00 43.42 H new ATOM 0 HG22 ILE A 14 -12.287 4.571 -1.693 1.00 43.42 H new ATOM 0 HG23 ILE A 14 -10.701 5.029 -2.359 1.00 43.42 H new ATOM 0 HD11 ILE A 14 -7.465 3.074 -2.611 1.00 22.44 H new ATOM 0 HD12 ILE A 14 -8.612 4.432 -2.695 1.00 22.44 H new ATOM 0 HD13 ILE A 14 -7.957 3.917 -1.123 1.00 22.44 H new ATOM 207 N ARG A 15 -12.440 4.245 1.225 1.00 53.14 N ATOM 208 CA ARG A 15 -13.467 5.047 1.884 1.00 12.34 C ATOM 209 C ARG A 15 -12.871 5.823 3.053 1.00 33.42 C ATOM 210 O ARG A 15 -13.083 7.033 3.091 1.00 3.02 O ATOM 211 CB ARG A 15 -14.683 4.204 2.305 1.00 53.12 C ATOM 212 CG ARG A 15 -15.441 3.641 1.098 1.00 30.51 C ATOM 213 CD ARG A 15 -16.471 2.610 1.564 1.00 31.31 C ATOM 214 NE ARG A 15 -17.501 2.408 0.540 1.00 42.14 N ATOM 215 CZ ARG A 15 -18.565 1.613 0.638 1.00 50.30 C ATOM 216 NH1 ARG A 15 -18.684 0.740 1.629 1.00 73.13 N ATOM 217 NH2 ARG A 15 -19.538 1.701 -0.252 1.00 3.05 N ATOM 0 H ARG A 15 -12.648 3.247 1.199 1.00 53.14 H new ATOM 0 HA ARG A 15 -13.841 5.770 1.159 1.00 12.34 H new ATOM 0 HB2 ARG A 15 -14.351 3.382 2.940 1.00 53.12 H new ATOM 0 HB3 ARG A 15 -15.358 4.816 2.903 1.00 53.12 H new ATOM 0 HG2 ARG A 15 -15.939 4.449 0.562 1.00 30.51 H new ATOM 0 HG3 ARG A 15 -14.741 3.179 0.401 1.00 30.51 H new ATOM 0 HD2 ARG A 15 -15.974 1.664 1.779 1.00 31.31 H new ATOM 0 HD3 ARG A 15 -16.934 2.945 2.492 1.00 31.31 H new ATOM 0 HE ARG A 15 -17.392 2.926 -0.332 1.00 42.14 H new ATOM 0 HH11 ARG A 15 -17.952 0.668 2.336 1.00 73.13 H new ATOM 0 HH12 ARG A 15 -19.508 0.141 1.685 1.00 73.13 H new ATOM 0 HH21 ARG A 15 -19.474 2.377 -1.013 1.00 3.05 H new ATOM 0 HH22 ARG A 15 -20.353 1.093 -0.178 1.00 3.05 H new ATOM 228 N ARG A 16 -12.140 5.209 4.000 1.00 5.01 N ATOM 229 CA ARG A 16 -11.572 5.910 5.142 1.00 45.33 C ATOM 230 C ARG A 16 -10.609 7.020 4.736 1.00 30.22 C ATOM 231 O ARG A 16 -10.521 8.008 5.465 1.00 24.22 O ATOM 232 CB ARG A 16 -10.776 4.901 5.968 1.00 31.24 C ATOM 233 CG ARG A 16 -11.579 3.880 6.770 1.00 70.52 C ATOM 234 CD ARG A 16 -12.510 2.894 6.072 1.00 42.02 C ATOM 235 NE ARG A 16 -13.379 2.170 7.005 1.00 52.42 N ATOM 236 CZ ARG A 16 -13.045 1.179 7.834 1.00 1.04 C ATOM 237 NH1 ARG A 16 -11.792 0.766 7.973 1.00 32.25 N ATOM 238 NH2 ARG A 16 -14.005 0.582 8.521 1.00 31.53 N ATOM 0 H ARG A 16 -11.932 4.211 3.986 1.00 5.01 H new ATOM 0 HA ARG A 16 -12.398 6.358 5.695 1.00 45.33 H new ATOM 0 HB2 ARG A 16 -10.113 4.358 5.294 1.00 31.24 H new ATOM 0 HB3 ARG A 16 -10.142 5.454 6.661 1.00 31.24 H new ATOM 0 HG2 ARG A 16 -10.864 3.292 7.346 1.00 70.52 H new ATOM 0 HG3 ARG A 16 -12.183 4.438 7.485 1.00 70.52 H new ATOM 0 HD2 ARG A 16 -13.127 3.432 5.352 1.00 42.02 H new ATOM 0 HD3 ARG A 16 -11.914 2.177 5.508 1.00 42.02 H new ATOM 0 HE ARG A 16 -14.357 2.459 7.023 1.00 52.42 H new ATOM 0 HH11 ARG A 16 -11.046 1.209 7.436 1.00 32.25 H new ATOM 0 HH12 ARG A 16 -11.574 0.005 8.617 1.00 32.25 H new ATOM 0 HH21 ARG A 16 -14.974 0.882 8.410 1.00 31.53 H new ATOM 0 HH22 ARG A 16 -13.777 -0.178 9.161 1.00 31.53 H new ATOM 249 N ALA A 17 -9.859 6.836 3.650 1.00 73.34 N ATOM 250 CA ALA A 17 -8.853 7.771 3.173 1.00 50.13 C ATOM 251 C ALA A 17 -9.500 8.968 2.480 1.00 11.43 C ATOM 252 O ALA A 17 -9.146 10.112 2.750 1.00 70.11 O ATOM 253 CB ALA A 17 -7.960 7.031 2.186 1.00 45.20 C ATOM 0 H ALA A 17 -9.941 6.006 3.063 1.00 73.34 H new ATOM 0 HA ALA A 17 -8.276 8.148 4.017 1.00 50.13 H new ATOM 0 HB1 ALA A 17 -7.193 7.709 1.810 1.00 45.20 H new ATOM 0 HB2 ALA A 17 -7.485 6.188 2.687 1.00 45.20 H new ATOM 0 HB3 ALA A 17 -8.562 6.666 1.354 1.00 45.20 H new ATOM 259 N GLU A 18 -10.478 8.721 1.608 1.00 74.31 N ATOM 260 CA GLU A 18 -11.235 9.779 0.951 1.00 53.31 C ATOM 261 C GLU A 18 -12.050 10.565 1.997 1.00 65.54 C ATOM 262 O GLU A 18 -12.072 11.796 1.962 1.00 23.41 O ATOM 263 CB GLU A 18 -12.121 9.161 -0.141 1.00 74.12 C ATOM 264 CG GLU A 18 -11.345 8.812 -1.427 1.00 62.42 C ATOM 265 CD GLU A 18 -12.288 8.689 -2.639 1.00 41.30 C ATOM 266 OE1 GLU A 18 -12.994 7.662 -2.796 1.00 12.25 O ATOM 267 OE2 GLU A 18 -12.377 9.661 -3.420 1.00 25.45 O ATOM 0 H GLU A 18 -10.765 7.780 1.339 1.00 74.31 H new ATOM 0 HA GLU A 18 -10.562 10.489 0.470 1.00 53.31 H new ATOM 0 HB2 GLU A 18 -12.590 8.258 0.249 1.00 74.12 H new ATOM 0 HB3 GLU A 18 -12.923 9.857 -0.386 1.00 74.12 H new ATOM 0 HG2 GLU A 18 -10.598 9.581 -1.622 1.00 62.42 H new ATOM 0 HG3 GLU A 18 -10.808 7.874 -1.286 1.00 62.42 H new ATOM 272 N LEU A 19 -12.636 9.879 2.994 1.00 31.43 N ATOM 273 CA LEU A 19 -13.230 10.437 4.218 1.00 70.11 C ATOM 274 C LEU A 19 -12.191 11.103 5.117 1.00 24.43 C ATOM 275 O LEU A 19 -12.529 11.787 6.077 1.00 13.31 O ATOM 276 CB LEU A 19 -13.842 9.255 4.975 1.00 24.53 C ATOM 277 CG LEU A 19 -14.709 9.516 6.213 1.00 51.44 C ATOM 278 CD1 LEU A 19 -15.988 10.267 5.848 1.00 45.42 C ATOM 279 CD2 LEU A 19 -15.071 8.137 6.773 1.00 24.42 C ATOM 0 H LEU A 19 -12.711 8.862 2.964 1.00 31.43 H new ATOM 0 HA LEU A 19 -13.961 11.200 3.950 1.00 70.11 H new ATOM 0 HB2 LEU A 19 -14.448 8.692 4.265 1.00 24.53 H new ATOM 0 HB3 LEU A 19 -13.023 8.605 5.282 1.00 24.53 H new ATOM 0 HG LEU A 19 -14.170 10.130 6.935 1.00 51.44 H new ATOM 0 HD11 LEU A 19 -16.580 10.436 6.748 1.00 45.42 H new ATOM 0 HD12 LEU A 19 -15.731 11.226 5.397 1.00 45.42 H new ATOM 0 HD13 LEU A 19 -16.567 9.676 5.138 1.00 45.42 H new ATOM 0 HD21 LEU A 19 -15.692 8.256 7.661 1.00 24.42 H new ATOM 0 HD22 LEU A 19 -15.620 7.571 6.020 1.00 24.42 H new ATOM 0 HD23 LEU A 19 -14.159 7.601 7.037 1.00 24.42 H new ATOM 290 N GLY A 20 -10.919 10.866 4.832 1.00 74.52 N ATOM 291 CA GLY A 20 -9.772 11.368 5.557 1.00 65.43 C ATOM 292 C GLY A 20 -9.419 12.803 5.186 1.00 10.32 C ATOM 293 O GLY A 20 -8.569 13.404 5.847 1.00 45.02 O ATOM 0 H GLY A 20 -10.649 10.283 4.040 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -9.972 11.313 6.627 1.00 65.43 H new ATOM 0 HA3 GLY A 20 -8.914 10.725 5.360 1.00 65.43 H new ATOM 297 N GLY A 21 -10.055 13.353 4.148 1.00 54.40 N ATOM 298 CA GLY A 21 -9.686 14.630 3.565 1.00 13.12 C ATOM 299 C GLY A 21 -8.458 14.486 2.669 1.00 51.30 C ATOM 300 O GLY A 21 -7.755 15.476 2.453 1.00 25.01 O ATOM 0 H GLY A 21 -10.851 12.911 3.688 1.00 54.40 H new ATOM 0 HA2 GLY A 21 -10.520 15.024 2.985 1.00 13.12 H new ATOM 0 HA3 GLY A 21 -9.481 15.350 4.357 1.00 13.12 H new ATOM 304 N ALA A 22 -8.186 13.284 2.152 1.00 3.21 N ATOM 305 CA ALA A 22 -7.055 12.965 1.288 1.00 53.04 C ATOM 306 C ALA A 22 -7.574 12.490 -0.081 1.00 30.21 C ATOM 307 O ALA A 22 -8.780 12.576 -0.339 1.00 21.12 O ATOM 308 CB ALA A 22 -6.177 11.940 2.017 1.00 51.30 C ATOM 0 H ALA A 22 -8.777 12.473 2.335 1.00 3.21 H new ATOM 0 HA ALA A 22 -6.434 13.837 1.083 1.00 53.04 H new ATOM 0 HB1 ALA A 22 -5.322 11.683 1.392 1.00 51.30 H new ATOM 0 HB2 ALA A 22 -5.825 12.366 2.957 1.00 51.30 H new ATOM 0 HB3 ALA A 22 -6.760 11.042 2.221 1.00 51.30 H new ATOM 314 N PHE A 23 -6.690 12.033 -0.977 1.00 65.14 N ATOM 315 CA PHE A 23 -7.064 11.533 -2.303 1.00 14.24 C ATOM 316 C PHE A 23 -6.504 10.129 -2.473 1.00 50.03 C ATOM 317 O PHE A 23 -5.279 9.951 -2.530 1.00 41.22 O ATOM 318 CB PHE A 23 -6.566 12.468 -3.414 1.00 25.15 C ATOM 319 CG PHE A 23 -7.365 12.370 -4.701 1.00 73.22 C ATOM 320 CD1 PHE A 23 -8.738 12.679 -4.726 1.00 62.34 C ATOM 321 CD2 PHE A 23 -6.722 11.995 -5.891 1.00 72.23 C ATOM 322 CE1 PHE A 23 -9.447 12.637 -5.937 1.00 11.22 C ATOM 323 CE2 PHE A 23 -7.421 12.001 -7.113 1.00 52.13 C ATOM 324 CZ PHE A 23 -8.787 12.326 -7.137 1.00 1.22 C ATOM 0 H PHE A 23 -5.686 12.000 -0.799 1.00 65.14 H new ATOM 0 HA PHE A 23 -8.151 11.502 -2.382 1.00 14.24 H new ATOM 0 HB2 PHE A 23 -6.600 13.496 -3.053 1.00 25.15 H new ATOM 0 HB3 PHE A 23 -5.522 12.240 -3.627 1.00 25.15 H new ATOM 0 HD1 PHE A 23 -9.247 12.949 -3.812 1.00 62.34 H new ATOM 0 HD2 PHE A 23 -5.683 11.700 -5.869 1.00 72.23 H new ATOM 0 HE1 PHE A 23 -10.507 12.845 -5.946 1.00 11.22 H new ATOM 0 HE2 PHE A 23 -6.907 11.756 -8.031 1.00 52.13 H new ATOM 0 HZ PHE A 23 -9.327 12.337 -8.072 1.00 1.22 H new ATOM 333 N ALA A 24 -7.370 9.121 -2.477 1.00 23.11 N ATOM 334 CA ALA A 24 -6.983 7.720 -2.458 1.00 23.55 C ATOM 335 C ALA A 24 -7.673 6.992 -3.599 1.00 1.45 C ATOM 336 O ALA A 24 -8.795 7.346 -3.967 1.00 42.33 O ATOM 337 CB ALA A 24 -7.371 7.119 -1.114 1.00 45.30 C ATOM 0 H ALA A 24 -8.380 9.261 -2.494 1.00 23.11 H new ATOM 0 HA ALA A 24 -5.905 7.621 -2.589 1.00 23.55 H new ATOM 0 HB1 ALA A 24 -7.085 6.068 -1.089 1.00 45.30 H new ATOM 0 HB2 ALA A 24 -6.858 7.654 -0.315 1.00 45.30 H new ATOM 0 HB3 ALA A 24 -8.449 7.205 -0.974 1.00 45.30 H new ATOM 343 N THR A 25 -7.022 5.957 -4.125 1.00 11.41 N ATOM 344 CA THR A 25 -7.627 5.052 -5.088 1.00 50.03 C ATOM 345 C THR A 25 -6.812 3.758 -5.196 1.00 10.01 C ATOM 346 O THR A 25 -5.735 3.612 -4.602 1.00 31.24 O ATOM 347 CB THR A 25 -7.861 5.750 -6.436 1.00 22.34 C ATOM 348 OG1 THR A 25 -8.793 4.972 -7.165 1.00 54.40 O ATOM 349 CG2 THR A 25 -6.562 5.957 -7.210 1.00 44.01 C ATOM 0 H THR A 25 -6.056 5.725 -3.892 1.00 11.41 H new ATOM 0 HA THR A 25 -8.616 4.762 -4.733 1.00 50.03 H new ATOM 0 HB THR A 25 -8.259 6.751 -6.270 1.00 22.34 H new ATOM 0 HG1 THR A 25 -8.964 5.395 -8.032 1.00 54.40 H new ATOM 0 HG21 THR A 25 -6.777 6.454 -8.156 1.00 44.01 H new ATOM 0 HG22 THR A 25 -5.883 6.574 -6.622 1.00 44.01 H new ATOM 0 HG23 THR A 25 -6.097 4.991 -7.405 1.00 44.01 H new ATOM 357 N VAL A 26 -7.347 2.796 -5.941 1.00 74.43 N ATOM 358 CA VAL A 26 -6.738 1.518 -6.228 1.00 5.33 C ATOM 359 C VAL A 26 -6.483 1.454 -7.733 1.00 53.10 C ATOM 360 O VAL A 26 -7.404 1.457 -8.547 1.00 53.40 O ATOM 361 CB VAL A 26 -7.610 0.403 -5.633 1.00 5.14 C ATOM 362 CG1 VAL A 26 -9.040 0.271 -6.184 1.00 32.22 C ATOM 363 CG2 VAL A 26 -6.869 -0.921 -5.786 1.00 64.13 C ATOM 0 H VAL A 26 -8.262 2.900 -6.379 1.00 74.43 H new ATOM 0 HA VAL A 26 -5.765 1.380 -5.756 1.00 5.33 H new ATOM 0 HB VAL A 26 -7.763 0.684 -4.591 1.00 5.14 H new ATOM 0 HG11 VAL A 26 -9.549 -0.552 -5.682 1.00 32.22 H new ATOM 0 HG12 VAL A 26 -9.586 1.198 -6.006 1.00 32.22 H new ATOM 0 HG13 VAL A 26 -9.000 0.073 -7.255 1.00 32.22 H new ATOM 0 HG21 VAL A 26 -7.473 -1.726 -5.369 1.00 64.13 H new ATOM 0 HG22 VAL A 26 -6.685 -1.115 -6.843 1.00 64.13 H new ATOM 0 HG23 VAL A 26 -5.918 -0.869 -5.256 1.00 64.13 H new ATOM 373 N ALA A 27 -5.208 1.476 -8.113 1.00 71.24 N ATOM 374 CA ALA A 27 -4.783 1.637 -9.496 1.00 50.43 C ATOM 375 C ALA A 27 -4.742 0.309 -10.264 1.00 45.20 C ATOM 376 O ALA A 27 -4.745 0.310 -11.494 1.00 33.22 O ATOM 377 CB ALA A 27 -3.394 2.273 -9.475 1.00 22.53 C ATOM 0 H ALA A 27 -4.432 1.381 -7.458 1.00 71.24 H new ATOM 0 HA ALA A 27 -5.506 2.265 -10.016 1.00 50.43 H new ATOM 0 HB1 ALA A 27 -3.041 2.410 -10.497 1.00 22.53 H new ATOM 0 HB2 ALA A 27 -3.444 3.241 -8.976 1.00 22.53 H new ATOM 0 HB3 ALA A 27 -2.704 1.623 -8.937 1.00 22.53 H new ATOM 383 N ARG A 28 -4.683 -0.824 -9.557 1.00 30.32 N ATOM 384 CA ARG A 28 -4.428 -2.168 -10.106 1.00 21.41 C ATOM 385 C ARG A 28 -5.364 -3.165 -9.424 1.00 63.40 C ATOM 386 O ARG A 28 -5.751 -2.907 -8.282 1.00 45.02 O ATOM 387 CB ARG A 28 -2.958 -2.512 -9.849 1.00 31.14 C ATOM 388 CG ARG A 28 -2.327 -3.584 -10.750 1.00 13.25 C ATOM 389 CD ARG A 28 -1.440 -2.950 -11.833 1.00 52.04 C ATOM 390 NE ARG A 28 -2.237 -2.386 -12.935 1.00 41.30 N ATOM 391 CZ ARG A 28 -2.401 -1.094 -13.245 1.00 65.51 C ATOM 392 NH1 ARG A 28 -1.687 -0.141 -12.660 1.00 71.53 N ATOM 393 NH2 ARG A 28 -3.289 -0.742 -14.157 1.00 63.40 N ATOM 0 H ARG A 28 -4.816 -0.835 -8.546 1.00 30.32 H new ATOM 0 HA ARG A 28 -4.618 -2.206 -11.179 1.00 21.41 H new ATOM 0 HB2 ARG A 28 -2.373 -1.598 -9.949 1.00 31.14 H new ATOM 0 HB3 ARG A 28 -2.862 -2.840 -8.814 1.00 31.14 H new ATOM 0 HG2 ARG A 28 -1.733 -4.268 -10.144 1.00 13.25 H new ATOM 0 HG3 ARG A 28 -3.113 -4.176 -11.220 1.00 13.25 H new ATOM 0 HD2 ARG A 28 -0.829 -2.165 -11.388 1.00 52.04 H new ATOM 0 HD3 ARG A 28 -0.756 -3.701 -12.227 1.00 52.04 H new ATOM 0 HE ARG A 28 -2.720 -3.058 -13.531 1.00 41.30 H new ATOM 0 HH11 ARG A 28 -0.992 -0.385 -11.954 1.00 71.53 H new ATOM 0 HH12 ARG A 28 -1.833 0.836 -12.916 1.00 71.53 H new ATOM 0 HH21 ARG A 28 -3.849 -1.454 -14.625 1.00 63.40 H new ATOM 0 HH22 ARG A 28 -3.414 0.242 -14.394 1.00 63.40 H new ATOM 404 N LYS A 29 -5.707 -4.298 -10.047 1.00 23.13 N ATOM 405 CA LYS A 29 -6.662 -5.254 -9.479 1.00 4.43 C ATOM 406 C LYS A 29 -6.166 -6.679 -9.683 1.00 4.45 C ATOM 407 O LYS A 29 -6.462 -7.329 -10.689 1.00 33.52 O ATOM 408 CB LYS A 29 -8.076 -5.018 -10.045 1.00 65.52 C ATOM 409 CG LYS A 29 -9.105 -5.900 -9.313 1.00 52.33 C ATOM 410 CD LYS A 29 -10.564 -5.489 -9.560 1.00 13.11 C ATOM 411 CE LYS A 29 -10.972 -4.165 -8.894 1.00 13.25 C ATOM 412 NZ LYS A 29 -10.919 -4.190 -7.416 1.00 2.35 N ATOM 0 H LYS A 29 -5.332 -4.576 -10.954 1.00 23.13 H new ATOM 0 HA LYS A 29 -6.734 -5.096 -8.403 1.00 4.43 H new ATOM 0 HB2 LYS A 29 -8.347 -3.968 -9.937 1.00 65.52 H new ATOM 0 HB3 LYS A 29 -8.089 -5.243 -11.112 1.00 65.52 H new ATOM 0 HG2 LYS A 29 -8.971 -6.935 -9.628 1.00 52.33 H new ATOM 0 HG3 LYS A 29 -8.904 -5.864 -8.242 1.00 52.33 H new ATOM 0 HD2 LYS A 29 -10.729 -5.407 -10.634 1.00 13.11 H new ATOM 0 HD3 LYS A 29 -11.218 -6.281 -9.197 1.00 13.11 H new ATOM 0 HE2 LYS A 29 -10.318 -3.372 -9.257 1.00 13.25 H new ATOM 0 HE3 LYS A 29 -11.985 -3.911 -9.206 1.00 13.25 H new ATOM 0 HZ1 LYS A 29 -11.224 -3.269 -7.042 1.00 2.35 H new ATOM 0 HZ2 LYS A 29 -11.551 -4.935 -7.059 1.00 2.35 H new ATOM 0 HZ3 LYS A 29 -9.945 -4.384 -7.107 1.00 2.35 H new ATOM 422 N GLY A 30 -5.425 -7.160 -8.694 1.00 14.42 N ATOM 423 CA GLY A 30 -4.959 -8.523 -8.622 1.00 70.51 C ATOM 424 C GLY A 30 -5.983 -9.434 -7.956 1.00 2.45 C ATOM 425 O GLY A 30 -7.192 -9.156 -7.963 1.00 14.32 O ATOM 0 H GLY A 30 -5.128 -6.591 -7.902 1.00 14.42 H new ATOM 0 HA2 GLY A 30 -4.746 -8.888 -9.627 1.00 70.51 H new ATOM 0 HA3 GLY A 30 -4.023 -8.559 -8.065 1.00 70.51 H new ATOM 429 N ASP A 31 -5.502 -10.521 -7.347 1.00 51.22 N ATOM 430 CA ASP A 31 -6.379 -11.524 -6.749 1.00 74.50 C ATOM 431 C ASP A 31 -7.056 -10.938 -5.511 1.00 53.02 C ATOM 432 O ASP A 31 -6.372 -10.368 -4.656 1.00 61.10 O ATOM 433 CB ASP A 31 -5.663 -12.843 -6.434 1.00 22.23 C ATOM 434 CG ASP A 31 -6.698 -13.964 -6.312 1.00 5.24 C ATOM 435 OD1 ASP A 31 -7.704 -13.799 -5.580 1.00 4.25 O ATOM 436 OD2 ASP A 31 -6.588 -14.951 -7.072 1.00 11.03 O ATOM 0 H ASP A 31 -4.507 -10.727 -7.256 1.00 51.22 H new ATOM 0 HA ASP A 31 -7.139 -11.780 -7.487 1.00 74.50 H new ATOM 0 HB2 ASP A 31 -4.946 -13.078 -7.221 1.00 22.23 H new ATOM 0 HB3 ASP A 31 -5.098 -12.751 -5.506 1.00 22.23 H new ATOM 440 N ALA A 32 -8.387 -11.013 -5.424 1.00 64.14 N ATOM 441 CA ALA A 32 -9.165 -10.554 -4.285 1.00 63.34 C ATOM 442 C ALA A 32 -8.809 -11.279 -2.987 1.00 32.53 C ATOM 443 O ALA A 32 -8.867 -10.669 -1.920 1.00 10.35 O ATOM 444 CB ALA A 32 -10.662 -10.679 -4.575 1.00 23.45 C ATOM 0 H ALA A 32 -8.963 -11.407 -6.168 1.00 64.14 H new ATOM 0 HA ALA A 32 -8.912 -9.504 -4.136 1.00 63.34 H new ATOM 0 HB1 ALA A 32 -11.230 -10.331 -3.712 1.00 23.45 H new ATOM 0 HB2 ALA A 32 -10.916 -10.073 -5.445 1.00 23.45 H new ATOM 0 HB3 ALA A 32 -10.908 -11.722 -4.775 1.00 23.45 H new ATOM 450 N ARG A 33 -8.470 -12.570 -3.047 1.00 23.23 N ATOM 451 CA ARG A 33 -8.252 -13.364 -1.844 1.00 14.33 C ATOM 452 C ARG A 33 -6.890 -13.028 -1.270 1.00 11.32 C ATOM 453 O ARG A 33 -6.807 -12.561 -0.133 1.00 63.53 O ATOM 454 CB ARG A 33 -8.406 -14.870 -2.121 1.00 5.04 C ATOM 455 CG ARG A 33 -9.883 -15.266 -2.277 1.00 62.31 C ATOM 456 CD ARG A 33 -10.449 -15.071 -3.692 1.00 22.24 C ATOM 457 NE ARG A 33 -10.340 -16.288 -4.514 1.00 72.44 N ATOM 458 CZ ARG A 33 -11.262 -17.256 -4.587 1.00 53.00 C ATOM 459 NH1 ARG A 33 -12.360 -17.224 -3.843 1.00 63.12 N ATOM 460 NH2 ARG A 33 -11.071 -18.274 -5.406 1.00 74.32 N ATOM 0 H ARG A 33 -8.342 -13.084 -3.919 1.00 23.23 H new ATOM 0 HA ARG A 33 -9.015 -13.114 -1.107 1.00 14.33 H new ATOM 0 HB2 ARG A 33 -7.860 -15.132 -3.027 1.00 5.04 H new ATOM 0 HB3 ARG A 33 -7.960 -15.439 -1.305 1.00 5.04 H new ATOM 0 HG2 ARG A 33 -9.997 -16.313 -1.995 1.00 62.31 H new ATOM 0 HG3 ARG A 33 -10.479 -14.680 -1.577 1.00 62.31 H new ATOM 0 HD2 ARG A 33 -11.496 -14.775 -3.624 1.00 22.24 H new ATOM 0 HD3 ARG A 33 -9.918 -14.256 -4.183 1.00 22.24 H new ATOM 0 HE ARG A 33 -9.494 -16.403 -5.073 1.00 72.44 H new ATOM 0 HH11 ARG A 33 -12.516 -16.450 -3.197 1.00 63.12 H new ATOM 0 HH12 ARG A 33 -13.048 -17.973 -3.917 1.00 63.12 H new ATOM 0 HH21 ARG A 33 -10.226 -18.318 -5.976 1.00 74.32 H new ATOM 0 HH22 ARG A 33 -11.768 -19.016 -5.468 1.00 74.32 H new ATOM 471 N ALA A 34 -5.846 -13.279 -2.058 1.00 14.15 N ATOM 472 CA ALA A 34 -4.467 -13.309 -1.610 1.00 33.14 C ATOM 473 C ALA A 34 -3.550 -12.786 -2.717 1.00 65.50 C ATOM 474 O ALA A 34 -2.462 -13.323 -2.935 1.00 34.43 O ATOM 475 CB ALA A 34 -4.120 -14.746 -1.213 1.00 54.33 C ATOM 0 H ALA A 34 -5.946 -13.472 -3.055 1.00 14.15 H new ATOM 0 HA ALA A 34 -4.327 -12.663 -0.743 1.00 33.14 H new ATOM 0 HB1 ALA A 34 -3.085 -14.790 -0.873 1.00 54.33 H new ATOM 0 HB2 ALA A 34 -4.780 -15.071 -0.409 1.00 54.33 H new ATOM 0 HB3 ALA A 34 -4.247 -15.402 -2.074 1.00 54.33 H new ATOM 481 N GLY A 35 -3.995 -11.774 -3.458 1.00 12.14 N ATOM 482 CA GLY A 35 -3.105 -10.977 -4.280 1.00 2.14 C ATOM 483 C GLY A 35 -2.202 -10.193 -3.337 1.00 50.14 C ATOM 484 O GLY A 35 -2.681 -9.702 -2.308 1.00 51.21 O ATOM 0 H GLY A 35 -4.974 -11.490 -3.502 1.00 12.14 H new ATOM 0 HA2 GLY A 35 -2.514 -11.615 -4.937 1.00 2.14 H new ATOM 0 HA3 GLY A 35 -3.673 -10.301 -4.919 1.00 2.14 H new ATOM 488 N ALA A 36 -0.918 -10.091 -3.676 1.00 42.11 N ATOM 489 CA ALA A 36 0.014 -9.215 -2.987 1.00 50.03 C ATOM 490 C ALA A 36 -0.306 -7.767 -3.361 1.00 74.53 C ATOM 491 O ALA A 36 -1.049 -7.516 -4.308 1.00 72.54 O ATOM 492 CB ALA A 36 1.446 -9.578 -3.393 1.00 3.14 C ATOM 0 H ALA A 36 -0.498 -10.619 -4.441 1.00 42.11 H new ATOM 0 HA ALA A 36 -0.078 -9.332 -1.907 1.00 50.03 H new ATOM 0 HB1 ALA A 36 2.148 -8.922 -2.878 1.00 3.14 H new ATOM 0 HB2 ALA A 36 1.650 -10.614 -3.121 1.00 3.14 H new ATOM 0 HB3 ALA A 36 1.561 -9.457 -4.470 1.00 3.14 H new ATOM 498 N VAL A 37 0.256 -6.789 -2.656 1.00 51.10 N ATOM 499 CA VAL A 37 -0.121 -5.392 -2.765 1.00 5.31 C ATOM 500 C VAL A 37 1.114 -4.531 -2.576 1.00 63.44 C ATOM 501 O VAL A 37 1.951 -4.840 -1.730 1.00 71.12 O ATOM 502 CB VAL A 37 -1.198 -5.069 -1.698 1.00 54.00 C ATOM 503 CG1 VAL A 37 -1.561 -6.220 -0.759 1.00 61.43 C ATOM 504 CG2 VAL A 37 -1.233 -3.595 -1.278 1.00 22.52 C ATOM 0 H VAL A 37 1.002 -6.954 -1.980 1.00 51.10 H new ATOM 0 HA VAL A 37 -0.541 -5.185 -3.749 1.00 5.31 H new ATOM 0 HB VAL A 37 -2.188 -5.070 -2.153 1.00 54.00 H new ATOM 0 HG11 VAL A 37 -2.322 -5.887 -0.053 1.00 61.43 H new ATOM 0 HG12 VAL A 37 -1.947 -7.057 -1.341 1.00 61.43 H new ATOM 0 HG13 VAL A 37 -0.673 -6.538 -0.212 1.00 61.43 H new ATOM 0 HG21 VAL A 37 -2.012 -3.448 -0.529 1.00 22.52 H new ATOM 0 HG22 VAL A 37 -0.268 -3.314 -0.857 1.00 22.52 H new ATOM 0 HG23 VAL A 37 -1.445 -2.974 -2.148 1.00 22.52 H new ATOM 514 N LEU A 38 1.171 -3.410 -3.286 1.00 33.25 N ATOM 515 CA LEU A 38 1.982 -2.261 -2.940 1.00 61.42 C ATOM 516 C LEU A 38 1.046 -1.164 -2.476 1.00 3.33 C ATOM 517 O LEU A 38 0.043 -0.879 -3.135 1.00 22.42 O ATOM 518 CB LEU A 38 2.792 -1.791 -4.155 1.00 2.02 C ATOM 519 CG LEU A 38 3.839 -2.817 -4.617 1.00 24.21 C ATOM 520 CD1 LEU A 38 4.625 -2.248 -5.794 1.00 52.24 C ATOM 521 CD2 LEU A 38 4.817 -3.206 -3.509 1.00 23.45 C ATOM 0 H LEU A 38 0.635 -3.277 -4.144 1.00 33.25 H new ATOM 0 HA LEU A 38 2.689 -2.519 -2.152 1.00 61.42 H new ATOM 0 HB2 LEU A 38 2.110 -1.581 -4.979 1.00 2.02 H new ATOM 0 HB3 LEU A 38 3.293 -0.855 -3.909 1.00 2.02 H new ATOM 0 HG LEU A 38 3.296 -3.717 -4.908 1.00 24.21 H new ATOM 0 HD11 LEU A 38 5.367 -2.976 -6.122 1.00 52.24 H new ATOM 0 HD12 LEU A 38 3.943 -2.030 -6.616 1.00 52.24 H new ATOM 0 HD13 LEU A 38 5.127 -1.331 -5.487 1.00 52.24 H new ATOM 0 HD21 LEU A 38 5.532 -3.933 -3.894 1.00 23.45 H new ATOM 0 HD22 LEU A 38 5.350 -2.319 -3.166 1.00 23.45 H new ATOM 0 HD23 LEU A 38 4.267 -3.644 -2.676 1.00 23.45 H new ATOM 532 N VAL A 39 1.385 -0.539 -1.356 1.00 74.41 N ATOM 533 CA VAL A 39 0.736 0.674 -0.880 1.00 34.24 C ATOM 534 C VAL A 39 1.827 1.733 -0.831 1.00 5.44 C ATOM 535 O VAL A 39 2.695 1.695 0.041 1.00 50.02 O ATOM 536 CB VAL A 39 0.059 0.486 0.488 1.00 70.53 C ATOM 537 CG1 VAL A 39 -0.812 1.695 0.836 1.00 74.23 C ATOM 538 CG2 VAL A 39 -0.786 -0.789 0.587 1.00 61.51 C ATOM 0 H VAL A 39 2.131 -0.867 -0.743 1.00 74.41 H new ATOM 0 HA VAL A 39 -0.075 0.965 -1.547 1.00 34.24 H new ATOM 0 HB VAL A 39 0.875 0.389 1.204 1.00 70.53 H new ATOM 0 HG11 VAL A 39 -1.280 1.538 1.808 1.00 74.23 H new ATOM 0 HG12 VAL A 39 -0.193 2.591 0.872 1.00 74.23 H new ATOM 0 HG13 VAL A 39 -1.584 1.818 0.077 1.00 74.23 H new ATOM 0 HG21 VAL A 39 -1.232 -0.854 1.579 1.00 61.51 H new ATOM 0 HG22 VAL A 39 -1.575 -0.762 -0.164 1.00 61.51 H new ATOM 0 HG23 VAL A 39 -0.153 -1.659 0.416 1.00 61.51 H new ATOM 548 N LYS A 40 1.846 2.648 -1.793 1.00 72.32 N ATOM 549 CA LYS A 40 2.855 3.695 -1.826 1.00 52.34 C ATOM 550 C LYS A 40 2.159 4.950 -1.301 1.00 41.21 C ATOM 551 O LYS A 40 1.476 5.651 -2.051 1.00 1.32 O ATOM 552 CB LYS A 40 3.397 3.823 -3.259 1.00 10.32 C ATOM 553 CG LYS A 40 4.321 5.023 -3.492 1.00 73.53 C ATOM 554 CD LYS A 40 3.853 5.861 -4.688 1.00 33.52 C ATOM 555 CE LYS A 40 4.823 7.025 -4.861 1.00 33.54 C ATOM 556 NZ LYS A 40 6.002 6.687 -5.678 1.00 23.41 N ATOM 0 H LYS A 40 1.174 2.685 -2.559 1.00 72.32 H new ATOM 0 HA LYS A 40 3.728 3.493 -1.206 1.00 52.34 H new ATOM 0 HB2 LYS A 40 3.939 2.911 -3.510 1.00 10.32 H new ATOM 0 HB3 LYS A 40 2.554 3.893 -3.946 1.00 10.32 H new ATOM 0 HG2 LYS A 40 4.346 5.645 -2.597 1.00 73.53 H new ATOM 0 HG3 LYS A 40 5.339 4.673 -3.666 1.00 73.53 H new ATOM 0 HD2 LYS A 40 3.825 5.252 -5.591 1.00 33.52 H new ATOM 0 HD3 LYS A 40 2.841 6.231 -4.521 1.00 33.52 H new ATOM 0 HE2 LYS A 40 4.297 7.861 -5.323 1.00 33.54 H new ATOM 0 HE3 LYS A 40 5.155 7.361 -3.879 1.00 33.54 H new ATOM 0 HZ1 LYS A 40 6.712 7.442 -5.591 1.00 23.41 H new ATOM 0 HZ2 LYS A 40 6.408 5.789 -5.346 1.00 23.41 H new ATOM 0 HZ3 LYS A 40 5.718 6.592 -6.674 1.00 23.41 H new ATOM 566 N ALA A 41 2.251 5.191 0.008 1.00 23.31 N ATOM 567 CA ALA A 41 1.784 6.447 0.583 1.00 42.32 C ATOM 568 C ALA A 41 2.738 7.564 0.151 1.00 22.15 C ATOM 569 O ALA A 41 3.934 7.311 -0.026 1.00 11.25 O ATOM 570 CB ALA A 41 1.720 6.337 2.111 1.00 25.41 C ATOM 0 H ALA A 41 2.643 4.535 0.684 1.00 23.31 H new ATOM 0 HA ALA A 41 0.779 6.674 0.226 1.00 42.32 H new ATOM 0 HB1 ALA A 41 1.370 7.281 2.529 1.00 25.41 H new ATOM 0 HB2 ALA A 41 1.032 5.539 2.390 1.00 25.41 H new ATOM 0 HB3 ALA A 41 2.713 6.113 2.502 1.00 25.41 H new ATOM 576 N VAL A 42 2.232 8.791 0.010 1.00 23.53 N ATOM 577 CA VAL A 42 3.010 9.948 -0.401 1.00 63.01 C ATOM 578 C VAL A 42 2.699 11.103 0.547 1.00 70.00 C ATOM 579 O VAL A 42 1.555 11.559 0.654 1.00 70.42 O ATOM 580 CB VAL A 42 2.765 10.288 -1.883 1.00 2.52 C ATOM 581 CG1 VAL A 42 3.734 11.388 -2.324 1.00 64.24 C ATOM 582 CG2 VAL A 42 3.005 9.079 -2.799 1.00 1.33 C ATOM 0 H VAL A 42 1.250 9.006 0.183 1.00 23.53 H new ATOM 0 HA VAL A 42 4.076 9.732 -0.332 1.00 63.01 H new ATOM 0 HB VAL A 42 1.726 10.605 -1.968 1.00 2.52 H new ATOM 0 HG11 VAL A 42 3.559 11.628 -3.373 1.00 64.24 H new ATOM 0 HG12 VAL A 42 3.574 12.279 -1.717 1.00 64.24 H new ATOM 0 HG13 VAL A 42 4.760 11.042 -2.197 1.00 64.24 H new ATOM 0 HG21 VAL A 42 2.820 9.365 -3.835 1.00 1.33 H new ATOM 0 HG22 VAL A 42 4.036 8.742 -2.694 1.00 1.33 H new ATOM 0 HG23 VAL A 42 2.329 8.271 -2.520 1.00 1.33 H new ATOM 592 N ASP A 43 3.736 11.562 1.241 1.00 41.54 N ATOM 593 CA ASP A 43 3.761 12.719 2.112 1.00 21.34 C ATOM 594 C ASP A 43 3.910 13.955 1.225 1.00 50.14 C ATOM 595 O ASP A 43 4.933 14.642 1.264 1.00 13.11 O ATOM 596 CB ASP A 43 4.958 12.682 3.085 1.00 32.03 C ATOM 597 CG ASP A 43 5.034 11.546 4.092 1.00 31.33 C ATOM 598 OD1 ASP A 43 4.942 10.360 3.716 1.00 54.13 O ATOM 599 OD2 ASP A 43 5.264 11.834 5.287 1.00 65.42 O ATOM 0 H ASP A 43 4.643 11.097 1.202 1.00 41.54 H new ATOM 0 HA ASP A 43 2.845 12.734 2.702 1.00 21.34 H new ATOM 0 HB2 ASP A 43 5.870 12.659 2.489 1.00 32.03 H new ATOM 0 HB3 ASP A 43 4.964 13.620 3.641 1.00 32.03 H new ATOM 603 N ARG A 44 2.881 14.336 0.459 1.00 42.44 N ATOM 604 CA ARG A 44 2.947 15.590 -0.317 1.00 5.53 C ATOM 605 C ARG A 44 3.189 16.824 0.577 1.00 32.45 C ATOM 606 O ARG A 44 3.447 17.906 0.063 1.00 13.44 O ATOM 607 CB ARG A 44 1.706 15.735 -1.228 1.00 11.51 C ATOM 608 CG ARG A 44 1.842 14.943 -2.543 1.00 3.42 C ATOM 609 CD ARG A 44 2.720 15.658 -3.583 1.00 34.35 C ATOM 610 NE ARG A 44 1.984 16.705 -4.312 1.00 11.25 N ATOM 611 CZ ARG A 44 2.503 17.788 -4.909 1.00 71.32 C ATOM 612 NH1 ARG A 44 3.790 18.096 -4.781 1.00 32.14 N ATOM 613 NH2 ARG A 44 1.713 18.561 -5.643 1.00 43.33 N ATOM 0 H ARG A 44 2.011 13.813 0.357 1.00 42.44 H new ATOM 0 HA ARG A 44 3.819 15.534 -0.969 1.00 5.53 H new ATOM 0 HB2 ARG A 44 0.823 15.391 -0.690 1.00 11.51 H new ATOM 0 HB3 ARG A 44 1.549 16.789 -1.457 1.00 11.51 H new ATOM 0 HG2 ARG A 44 2.267 13.962 -2.329 1.00 3.42 H new ATOM 0 HG3 ARG A 44 0.851 14.776 -2.965 1.00 3.42 H new ATOM 0 HD2 ARG A 44 3.581 16.103 -3.084 1.00 34.35 H new ATOM 0 HD3 ARG A 44 3.106 14.927 -4.293 1.00 34.35 H new ATOM 0 HE ARG A 44 0.972 16.595 -4.369 1.00 11.25 H new ATOM 0 HH11 ARG A 44 4.403 17.504 -4.220 1.00 32.14 H new ATOM 0 HH12 ARG A 44 4.165 18.924 -5.244 1.00 32.14 H new ATOM 0 HH21 ARG A 44 0.725 18.328 -5.747 1.00 43.33 H new ATOM 0 HH22 ARG A 44 2.093 19.388 -6.103 1.00 43.33 H new ATOM 624 N ARG A 45 3.129 16.680 1.907 1.00 44.21 N ATOM 625 CA ARG A 45 3.463 17.694 2.902 1.00 23.11 C ATOM 626 C ARG A 45 4.918 18.144 2.799 1.00 45.21 C ATOM 627 O ARG A 45 5.199 19.304 3.087 1.00 33.15 O ATOM 628 CB ARG A 45 3.109 17.175 4.302 1.00 50.23 C ATOM 629 CG ARG A 45 4.231 16.537 5.120 1.00 53.33 C ATOM 630 CD ARG A 45 3.682 16.005 6.452 1.00 43.24 C ATOM 631 NE ARG A 45 4.738 15.678 7.429 1.00 13.33 N ATOM 632 CZ ARG A 45 5.431 16.556 8.173 1.00 25.03 C ATOM 633 NH1 ARG A 45 5.337 17.869 7.979 1.00 74.43 N ATOM 634 NH2 ARG A 45 6.234 16.127 9.134 1.00 54.43 N ATOM 0 H ARG A 45 2.830 15.804 2.336 1.00 44.21 H new ATOM 0 HA ARG A 45 2.867 18.585 2.705 1.00 23.11 H new ATOM 0 HB2 ARG A 45 2.704 18.008 4.877 1.00 50.23 H new ATOM 0 HB3 ARG A 45 2.310 16.441 4.197 1.00 50.23 H new ATOM 0 HG2 ARG A 45 4.685 15.723 4.555 1.00 53.33 H new ATOM 0 HG3 ARG A 45 5.015 17.270 5.309 1.00 53.33 H new ATOM 0 HD2 ARG A 45 3.014 16.749 6.885 1.00 43.24 H new ATOM 0 HD3 ARG A 45 3.085 15.113 6.261 1.00 43.24 H new ATOM 0 HE ARG A 45 4.963 14.691 7.551 1.00 13.33 H new ATOM 0 HH11 ARG A 45 4.726 18.234 7.249 1.00 74.43 H new ATOM 0 HH12 ARG A 45 5.876 18.510 8.561 1.00 74.43 H new ATOM 0 HH21 ARG A 45 6.328 15.127 9.311 1.00 54.43 H new ATOM 0 HH22 ARG A 45 6.759 16.796 9.697 1.00 54.43 H new ATOM 645 N GLU A 46 5.823 17.239 2.425 1.00 45.54 N ATOM 646 CA GLU A 46 7.236 17.540 2.125 1.00 25.32 C ATOM 647 C GLU A 46 7.659 17.010 0.743 1.00 52.33 C ATOM 648 O GLU A 46 8.822 17.120 0.353 1.00 24.14 O ATOM 649 CB GLU A 46 8.188 17.000 3.212 1.00 53.11 C ATOM 650 CG GLU A 46 7.831 17.425 4.642 1.00 21.31 C ATOM 651 CD GLU A 46 8.981 17.402 5.660 1.00 63.12 C ATOM 652 OE1 GLU A 46 10.166 17.580 5.286 1.00 44.32 O ATOM 653 OE2 GLU A 46 8.690 17.276 6.876 1.00 13.32 O ATOM 0 H GLU A 46 5.595 16.251 2.318 1.00 45.54 H new ATOM 0 HA GLU A 46 7.315 18.627 2.113 1.00 25.32 H new ATOM 0 HB2 GLU A 46 8.195 15.911 3.162 1.00 53.11 H new ATOM 0 HB3 GLU A 46 9.201 17.336 2.989 1.00 53.11 H new ATOM 0 HG2 GLU A 46 7.423 18.435 4.608 1.00 21.31 H new ATOM 0 HG3 GLU A 46 7.037 16.773 5.006 1.00 21.31 H new ATOM 658 N GLY A 47 6.734 16.412 -0.005 1.00 65.41 N ATOM 659 CA GLY A 47 6.987 15.772 -1.285 1.00 45.30 C ATOM 660 C GLY A 47 7.597 14.381 -1.137 1.00 2.42 C ATOM 661 O GLY A 47 7.711 13.663 -2.135 1.00 45.22 O ATOM 0 H GLY A 47 5.755 16.360 0.277 1.00 65.41 H new ATOM 0 HA2 GLY A 47 6.052 15.697 -1.840 1.00 45.30 H new ATOM 0 HA3 GLY A 47 7.658 16.398 -1.873 1.00 45.30 H new ATOM 665 N THR A 48 7.950 13.969 0.079 1.00 21.33 N ATOM 666 CA THR A 48 8.470 12.647 0.364 1.00 51.12 C ATOM 667 C THR A 48 7.425 11.576 0.032 1.00 25.35 C ATOM 668 O THR A 48 6.220 11.832 -0.038 1.00 54.12 O ATOM 669 CB THR A 48 8.946 12.586 1.832 1.00 11.32 C ATOM 670 OG1 THR A 48 8.248 13.502 2.653 1.00 43.54 O ATOM 671 CG2 THR A 48 10.412 12.992 1.959 1.00 45.23 C ATOM 0 H THR A 48 7.878 14.562 0.906 1.00 21.33 H new ATOM 0 HA THR A 48 9.333 12.442 -0.269 1.00 51.12 H new ATOM 0 HB THR A 48 8.774 11.555 2.142 1.00 11.32 H new ATOM 0 HG1 THR A 48 8.576 13.432 3.574 1.00 43.54 H new ATOM 0 HG21 THR A 48 10.715 12.938 3.005 1.00 45.23 H new ATOM 0 HG22 THR A 48 11.029 12.316 1.367 1.00 45.23 H new ATOM 0 HG23 THR A 48 10.540 14.012 1.596 1.00 45.23 H new ATOM 679 N ALA A 49 7.888 10.347 -0.167 1.00 22.02 N ATOM 680 CA ALA A 49 7.066 9.186 -0.432 1.00 62.42 C ATOM 681 C ALA A 49 7.561 8.032 0.431 1.00 45.01 C ATOM 682 O ALA A 49 8.675 8.052 0.969 1.00 34.43 O ATOM 683 CB ALA A 49 7.087 8.857 -1.936 1.00 51.31 C ATOM 0 H ALA A 49 8.885 10.130 -0.146 1.00 22.02 H new ATOM 0 HA ALA A 49 6.026 9.380 -0.171 1.00 62.42 H new ATOM 0 HB1 ALA A 49 6.466 7.982 -2.126 1.00 51.31 H new ATOM 0 HB2 ALA A 49 6.700 9.706 -2.500 1.00 51.31 H new ATOM 0 HB3 ALA A 49 8.110 8.650 -2.249 1.00 51.31 H new ATOM 689 N ARG A 50 6.723 7.007 0.547 1.00 12.22 N ATOM 690 CA ARG A 50 7.014 5.742 1.201 1.00 51.13 C ATOM 691 C ARG A 50 6.837 4.647 0.161 1.00 44.14 C ATOM 692 O ARG A 50 6.374 4.893 -0.953 1.00 44.20 O ATOM 693 CB ARG A 50 6.046 5.485 2.374 1.00 11.41 C ATOM 694 CG ARG A 50 5.752 6.671 3.296 1.00 3.24 C ATOM 695 CD ARG A 50 6.945 7.153 4.123 1.00 64.44 C ATOM 696 NE ARG A 50 6.608 8.395 4.848 1.00 53.42 N ATOM 697 CZ ARG A 50 6.860 8.691 6.130 1.00 65.51 C ATOM 698 NH1 ARG A 50 7.638 7.906 6.862 1.00 72.21 N ATOM 699 NH2 ARG A 50 6.339 9.772 6.693 1.00 61.30 N ATOM 0 H ARG A 50 5.777 7.041 0.168 1.00 12.22 H new ATOM 0 HA ARG A 50 8.027 5.760 1.602 1.00 51.13 H new ATOM 0 HB2 ARG A 50 5.100 5.131 1.963 1.00 11.41 H new ATOM 0 HB3 ARG A 50 6.453 4.676 2.980 1.00 11.41 H new ATOM 0 HG2 ARG A 50 5.388 7.502 2.691 1.00 3.24 H new ATOM 0 HG3 ARG A 50 4.946 6.394 3.975 1.00 3.24 H new ATOM 0 HD2 ARG A 50 7.238 6.380 4.833 1.00 64.44 H new ATOM 0 HD3 ARG A 50 7.800 7.327 3.470 1.00 64.44 H new ATOM 0 HE ARG A 50 6.126 9.113 4.308 1.00 53.42 H new ATOM 0 HH11 ARG A 50 8.050 7.069 6.450 1.00 72.21 H new ATOM 0 HH12 ARG A 50 7.825 8.139 7.837 1.00 72.21 H new ATOM 0 HH21 ARG A 50 5.738 10.391 6.149 1.00 61.30 H new ATOM 0 HH22 ARG A 50 6.539 9.985 7.670 1.00 61.30 H new ATOM 710 N LEU A 51 7.111 3.417 0.564 1.00 51.01 N ATOM 711 CA LEU A 51 6.615 2.230 -0.110 1.00 2.12 C ATOM 712 C LEU A 51 6.340 1.221 0.973 1.00 54.02 C ATOM 713 O LEU A 51 7.210 0.968 1.810 1.00 54.21 O ATOM 714 CB LEU A 51 7.641 1.664 -1.104 1.00 52.01 C ATOM 715 CG LEU A 51 7.075 1.612 -2.531 1.00 64.50 C ATOM 716 CD1 LEU A 51 8.226 1.428 -3.506 1.00 13.41 C ATOM 717 CD2 LEU A 51 6.102 0.450 -2.770 1.00 63.23 C ATOM 0 H LEU A 51 7.691 3.213 1.378 1.00 51.01 H new ATOM 0 HA LEU A 51 5.723 2.469 -0.689 1.00 2.12 H new ATOM 0 HB2 LEU A 51 8.540 2.280 -1.091 1.00 52.01 H new ATOM 0 HB3 LEU A 51 7.937 0.662 -0.792 1.00 52.01 H new ATOM 0 HG LEU A 51 6.531 2.546 -2.677 1.00 64.50 H new ATOM 0 HD11 LEU A 51 7.838 1.389 -4.524 1.00 13.41 H new ATOM 0 HD12 LEU A 51 8.919 2.264 -3.413 1.00 13.41 H new ATOM 0 HD13 LEU A 51 8.748 0.498 -3.281 1.00 13.41 H new ATOM 0 HD21 LEU A 51 5.745 0.480 -3.799 1.00 63.23 H new ATOM 0 HD22 LEU A 51 6.614 -0.496 -2.591 1.00 63.23 H new ATOM 0 HD23 LEU A 51 5.255 0.539 -2.090 1.00 63.23 H new ATOM 728 N PHE A 52 5.147 0.645 0.946 1.00 73.33 N ATOM 729 CA PHE A 52 4.855 -0.510 1.765 1.00 70.51 C ATOM 730 C PHE A 52 4.494 -1.678 0.861 1.00 23.21 C ATOM 731 O PHE A 52 3.810 -1.516 -0.150 1.00 5.21 O ATOM 732 CB PHE A 52 3.740 -0.164 2.744 1.00 34.54 C ATOM 733 CG PHE A 52 3.987 1.081 3.577 1.00 63.41 C ATOM 734 CD1 PHE A 52 5.110 1.152 4.422 1.00 41.41 C ATOM 735 CD2 PHE A 52 3.108 2.178 3.490 1.00 21.42 C ATOM 736 CE1 PHE A 52 5.348 2.311 5.184 1.00 23.32 C ATOM 737 CE2 PHE A 52 3.356 3.340 4.241 1.00 61.14 C ATOM 738 CZ PHE A 52 4.479 3.411 5.084 1.00 5.24 C ATOM 0 H PHE A 52 4.371 0.962 0.365 1.00 73.33 H new ATOM 0 HA PHE A 52 5.725 -0.802 2.353 1.00 70.51 H new ATOM 0 HB2 PHE A 52 2.813 -0.032 2.185 1.00 34.54 H new ATOM 0 HB3 PHE A 52 3.590 -1.009 3.416 1.00 34.54 H new ATOM 0 HD1 PHE A 52 5.790 0.316 4.486 1.00 41.41 H new ATOM 0 HD2 PHE A 52 2.243 2.126 2.846 1.00 21.42 H new ATOM 0 HE1 PHE A 52 6.200 2.355 5.847 1.00 23.32 H new ATOM 0 HE2 PHE A 52 2.682 4.181 4.170 1.00 61.14 H new ATOM 0 HZ PHE A 52 4.673 4.308 5.653 1.00 5.24 H new ATOM 747 N SER A 53 4.931 -2.866 1.257 1.00 41.43 N ATOM 748 CA SER A 53 4.701 -4.148 0.614 1.00 61.30 C ATOM 749 C SER A 53 4.148 -5.084 1.679 1.00 4.22 C ATOM 750 O SER A 53 4.474 -4.916 2.854 1.00 44.13 O ATOM 751 CB SER A 53 6.046 -4.677 0.106 1.00 61.52 C ATOM 752 OG SER A 53 6.057 -4.841 -1.285 1.00 4.34 O ATOM 0 H SER A 53 5.498 -2.963 2.099 1.00 41.43 H new ATOM 0 HA SER A 53 4.007 -4.068 -0.223 1.00 61.30 H new ATOM 0 HB2 SER A 53 6.839 -3.987 0.395 1.00 61.52 H new ATOM 0 HB3 SER A 53 6.264 -5.632 0.585 1.00 61.52 H new ATOM 0 HG SER A 53 6.777 -5.457 -1.536 1.00 4.34 H new ATOM 757 N GLU A 54 3.326 -6.062 1.308 1.00 44.01 N ATOM 758 CA GLU A 54 2.921 -7.060 2.274 1.00 50.31 C ATOM 759 C GLU A 54 4.082 -8.016 2.558 1.00 72.42 C ATOM 760 O GLU A 54 5.050 -8.107 1.796 1.00 4.05 O ATOM 761 CB GLU A 54 1.637 -7.776 1.847 1.00 21.14 C ATOM 762 CG GLU A 54 1.766 -8.702 0.633 1.00 74.12 C ATOM 763 CD GLU A 54 0.652 -9.751 0.661 1.00 1.35 C ATOM 764 OE1 GLU A 54 -0.538 -9.375 0.624 1.00 72.51 O ATOM 765 OE2 GLU A 54 0.939 -10.959 0.805 1.00 33.12 O ATOM 0 H GLU A 54 2.940 -6.178 0.371 1.00 44.01 H new ATOM 0 HA GLU A 54 2.675 -6.564 3.213 1.00 50.31 H new ATOM 0 HB2 GLU A 54 1.271 -8.362 2.691 1.00 21.14 H new ATOM 0 HB3 GLU A 54 0.879 -7.024 1.629 1.00 21.14 H new ATOM 0 HG2 GLU A 54 1.708 -8.121 -0.287 1.00 74.12 H new ATOM 0 HG3 GLU A 54 2.740 -9.192 0.639 1.00 74.12 H new ATOM 770 N ALA A 55 3.973 -8.750 3.656 1.00 34.35 N ATOM 771 CA ALA A 55 4.675 -9.988 3.919 1.00 32.34 C ATOM 772 C ALA A 55 3.856 -10.735 4.971 1.00 32.33 C ATOM 773 O ALA A 55 2.893 -10.196 5.523 1.00 53.10 O ATOM 774 CB ALA A 55 6.104 -9.697 4.397 1.00 43.41 C ATOM 0 H ALA A 55 3.359 -8.480 4.425 1.00 34.35 H new ATOM 0 HA ALA A 55 4.774 -10.598 3.021 1.00 32.34 H new ATOM 0 HB1 ALA A 55 6.621 -10.637 4.591 1.00 43.41 H new ATOM 0 HB2 ALA A 55 6.639 -9.141 3.627 1.00 43.41 H new ATOM 0 HB3 ALA A 55 6.068 -9.106 5.312 1.00 43.41 H new ATOM 780 N THR A 56 4.270 -11.958 5.275 1.00 40.31 N ATOM 781 CA THR A 56 3.701 -12.806 6.305 1.00 52.34 C ATOM 782 C THR A 56 4.857 -13.333 7.150 1.00 3.42 C ATOM 783 O THR A 56 5.993 -13.428 6.665 1.00 13.44 O ATOM 784 CB THR A 56 2.848 -13.952 5.709 1.00 54.21 C ATOM 785 OG1 THR A 56 3.116 -14.192 4.335 1.00 23.25 O ATOM 786 CG2 THR A 56 1.348 -13.680 5.849 1.00 22.52 C ATOM 0 H THR A 56 5.047 -12.403 4.786 1.00 40.31 H new ATOM 0 HA THR A 56 3.014 -12.231 6.926 1.00 52.34 H new ATOM 0 HB THR A 56 3.130 -14.833 6.286 1.00 54.21 H new ATOM 0 HG1 THR A 56 2.551 -14.926 4.015 1.00 23.25 H new ATOM 0 HG21 THR A 56 0.786 -14.509 5.418 1.00 22.52 H new ATOM 0 HG22 THR A 56 1.093 -13.579 6.904 1.00 22.52 H new ATOM 0 HG23 THR A 56 1.095 -12.759 5.325 1.00 22.52 H new ATOM 794 N ARG A 57 4.588 -13.638 8.422 1.00 63.24 N ATOM 795 CA ARG A 57 5.555 -14.329 9.278 1.00 33.23 C ATOM 796 C ARG A 57 5.379 -15.832 9.183 1.00 31.53 C ATOM 797 O ARG A 57 4.381 -16.303 8.637 1.00 61.11 O ATOM 798 CB ARG A 57 5.470 -13.836 10.728 1.00 51.13 C ATOM 799 CG ARG A 57 4.098 -13.999 11.386 1.00 53.30 C ATOM 800 CD ARG A 57 4.140 -13.761 12.900 1.00 43.22 C ATOM 801 NE ARG A 57 4.708 -14.906 13.633 1.00 0.31 N ATOM 802 CZ ARG A 57 4.816 -14.985 14.966 1.00 75.20 C ATOM 803 NH1 ARG A 57 4.447 -13.978 15.750 1.00 43.31 N ATOM 804 NH2 ARG A 57 5.292 -16.101 15.503 1.00 52.42 N ATOM 0 H ARG A 57 3.705 -13.416 8.883 1.00 63.24 H new ATOM 0 HA ARG A 57 6.556 -14.091 8.919 1.00 33.23 H new ATOM 0 HB2 ARG A 57 6.208 -14.374 11.323 1.00 51.13 H new ATOM 0 HB3 ARG A 57 5.746 -12.782 10.755 1.00 51.13 H new ATOM 0 HG2 ARG A 57 3.395 -13.301 10.931 1.00 53.30 H new ATOM 0 HG3 ARG A 57 3.722 -15.003 11.190 1.00 53.30 H new ATOM 0 HD2 ARG A 57 4.732 -12.870 13.109 1.00 43.22 H new ATOM 0 HD3 ARG A 57 3.131 -13.566 13.262 1.00 43.22 H new ATOM 0 HE ARG A 57 5.044 -15.698 13.085 1.00 0.31 H new ATOM 0 HH11 ARG A 57 4.073 -13.123 15.339 1.00 43.31 H new ATOM 0 HH12 ARG A 57 4.538 -14.060 16.763 1.00 43.31 H new ATOM 0 HH21 ARG A 57 5.568 -16.878 14.903 1.00 52.42 H new ATOM 0 HH22 ARG A 57 5.382 -16.181 16.516 1.00 52.42 H new ATOM 815 N GLY A 58 6.252 -16.574 9.866 1.00 62.20 N ATOM 816 CA GLY A 58 6.229 -18.028 9.930 1.00 32.15 C ATOM 817 C GLY A 58 5.025 -18.599 10.665 1.00 55.01 C ATOM 818 O GLY A 58 4.970 -19.811 10.840 1.00 62.20 O ATOM 0 H GLY A 58 7.015 -16.164 10.404 1.00 62.20 H new ATOM 0 HA2 GLY A 58 6.244 -18.426 8.915 1.00 32.15 H new ATOM 0 HA3 GLY A 58 7.139 -18.374 10.421 1.00 32.15 H new ATOM 822 N ASP A 59 4.084 -17.761 11.105 1.00 63.14 N ATOM 823 CA ASP A 59 2.804 -18.191 11.655 1.00 31.35 C ATOM 824 C ASP A 59 1.627 -17.678 10.809 1.00 72.34 C ATOM 825 O ASP A 59 0.475 -17.755 11.221 1.00 3.21 O ATOM 826 CB ASP A 59 2.688 -17.826 13.137 1.00 54.20 C ATOM 827 CG ASP A 59 1.653 -18.713 13.830 1.00 74.20 C ATOM 828 OD1 ASP A 59 1.773 -19.957 13.720 1.00 44.43 O ATOM 829 OD2 ASP A 59 0.708 -18.214 14.472 1.00 3.02 O ATOM 0 H ASP A 59 4.196 -16.747 11.087 1.00 63.14 H new ATOM 0 HA ASP A 59 2.758 -19.279 11.604 1.00 31.35 H new ATOM 0 HB2 ASP A 59 3.657 -17.941 13.622 1.00 54.20 H new ATOM 0 HB3 ASP A 59 2.403 -16.779 13.238 1.00 54.20 H new ATOM 833 N GLY A 60 1.904 -17.150 9.611 1.00 74.12 N ATOM 834 CA GLY A 60 0.905 -16.675 8.666 1.00 72.34 C ATOM 835 C GLY A 60 0.148 -15.453 9.179 1.00 30.21 C ATOM 836 O GLY A 60 -1.044 -15.330 8.896 1.00 44.10 O ATOM 0 H GLY A 60 2.859 -17.041 9.269 1.00 74.12 H new ATOM 0 HA2 GLY A 60 1.391 -16.427 7.722 1.00 72.34 H new ATOM 0 HA3 GLY A 60 0.196 -17.477 8.458 1.00 72.34 H new ATOM 840 N GLU A 61 0.813 -14.537 9.892 1.00 62.52 N ATOM 841 CA GLU A 61 0.256 -13.243 10.282 1.00 34.42 C ATOM 842 C GLU A 61 0.856 -12.223 9.312 1.00 11.02 C ATOM 843 O GLU A 61 2.052 -12.321 9.015 1.00 2.33 O ATOM 844 CB GLU A 61 0.646 -12.959 11.740 1.00 65.20 C ATOM 845 CG GLU A 61 -0.253 -11.936 12.428 1.00 24.53 C ATOM 846 CD GLU A 61 0.414 -11.410 13.702 1.00 45.33 C ATOM 847 OE1 GLU A 61 0.647 -12.183 14.665 1.00 14.43 O ATOM 848 OE2 GLU A 61 0.823 -10.230 13.722 1.00 24.53 O ATOM 0 H GLU A 61 1.769 -14.679 10.218 1.00 62.52 H new ATOM 0 HA GLU A 61 -0.832 -13.207 10.230 1.00 34.42 H new ATOM 0 HB2 GLU A 61 0.617 -13.892 12.303 1.00 65.20 H new ATOM 0 HB3 GLU A 61 1.675 -12.602 11.768 1.00 65.20 H new ATOM 0 HG2 GLU A 61 -0.458 -11.108 11.749 1.00 24.53 H new ATOM 0 HG3 GLU A 61 -1.212 -12.392 12.674 1.00 24.53 H new ATOM 853 N ARG A 62 0.043 -11.323 8.751 1.00 25.15 N ATOM 854 CA ARG A 62 0.446 -10.441 7.654 1.00 5.25 C ATOM 855 C ARG A 62 0.874 -9.087 8.220 1.00 72.34 C ATOM 856 O ARG A 62 0.356 -8.671 9.258 1.00 5.44 O ATOM 857 CB ARG A 62 -0.732 -10.321 6.670 1.00 52.33 C ATOM 858 CG ARG A 62 -0.362 -9.801 5.270 1.00 52.20 C ATOM 859 CD ARG A 62 -1.616 -9.452 4.445 1.00 14.33 C ATOM 860 NE ARG A 62 -1.618 -10.077 3.116 1.00 14.14 N ATOM 861 CZ ARG A 62 -2.071 -11.284 2.776 1.00 45.00 C ATOM 862 NH1 ARG A 62 -2.665 -12.076 3.665 1.00 5.14 N ATOM 863 NH2 ARG A 62 -1.904 -11.691 1.530 1.00 70.14 N ATOM 0 H ARG A 62 -0.923 -11.186 9.049 1.00 25.15 H new ATOM 0 HA ARG A 62 1.301 -10.847 7.114 1.00 5.25 H new ATOM 0 HB2 ARG A 62 -1.199 -11.300 6.565 1.00 52.33 H new ATOM 0 HB3 ARG A 62 -1.480 -9.656 7.102 1.00 52.33 H new ATOM 0 HG2 ARG A 62 0.270 -8.918 5.364 1.00 52.20 H new ATOM 0 HG3 ARG A 62 0.222 -10.556 4.744 1.00 52.20 H new ATOM 0 HD2 ARG A 62 -2.504 -9.769 4.991 1.00 14.33 H new ATOM 0 HD3 ARG A 62 -1.681 -8.370 4.332 1.00 14.33 H new ATOM 0 HE ARG A 62 -1.224 -9.518 2.359 1.00 14.14 H new ATOM 0 HH11 ARG A 62 -2.781 -11.763 4.629 1.00 5.14 H new ATOM 0 HH12 ARG A 62 -3.004 -12.996 3.383 1.00 5.14 H new ATOM 0 HH21 ARG A 62 -1.438 -11.086 0.854 1.00 70.14 H new ATOM 0 HH22 ARG A 62 -2.241 -12.610 1.244 1.00 70.14 H new ATOM 874 N PHE A 63 1.788 -8.387 7.550 1.00 21.44 N ATOM 875 CA PHE A 63 2.282 -7.078 7.961 1.00 23.23 C ATOM 876 C PHE A 63 2.634 -6.259 6.725 1.00 45.10 C ATOM 877 O PHE A 63 2.587 -6.773 5.600 1.00 70.33 O ATOM 878 CB PHE A 63 3.492 -7.215 8.904 1.00 14.35 C ATOM 879 CG PHE A 63 4.673 -8.031 8.395 1.00 72.13 C ATOM 880 CD1 PHE A 63 4.642 -9.435 8.529 1.00 34.15 C ATOM 881 CD2 PHE A 63 5.839 -7.409 7.886 1.00 1.04 C ATOM 882 CE1 PHE A 63 5.788 -10.196 8.253 1.00 43.41 C ATOM 883 CE2 PHE A 63 6.970 -8.187 7.587 1.00 33.54 C ATOM 884 CZ PHE A 63 6.950 -9.573 7.789 1.00 0.42 C ATOM 0 H PHE A 63 2.214 -8.724 6.687 1.00 21.44 H new ATOM 0 HA PHE A 63 1.500 -6.560 8.516 1.00 23.23 H new ATOM 0 HB2 PHE A 63 3.850 -6.214 9.144 1.00 14.35 H new ATOM 0 HB3 PHE A 63 3.147 -7.663 9.836 1.00 14.35 H new ATOM 0 HD1 PHE A 63 3.733 -9.926 8.845 1.00 34.15 H new ATOM 0 HD2 PHE A 63 5.859 -6.341 7.728 1.00 1.04 H new ATOM 0 HE1 PHE A 63 5.772 -11.266 8.399 1.00 43.41 H new ATOM 0 HE2 PHE A 63 7.860 -7.714 7.199 1.00 33.54 H new ATOM 0 HZ PHE A 63 7.833 -10.161 7.586 1.00 0.42 H new ATOM 893 N TRP A 64 2.979 -4.990 6.926 1.00 21.14 N ATOM 894 CA TRP A 64 3.437 -4.097 5.877 1.00 32.31 C ATOM 895 C TRP A 64 4.900 -3.762 6.125 1.00 45.41 C ATOM 896 O TRP A 64 5.248 -3.099 7.103 1.00 64.31 O ATOM 897 CB TRP A 64 2.570 -2.851 5.822 1.00 51.42 C ATOM 898 CG TRP A 64 1.156 -3.077 5.414 1.00 50.13 C ATOM 899 CD1 TRP A 64 0.082 -2.879 6.199 1.00 74.14 C ATOM 900 CD2 TRP A 64 0.634 -3.495 4.124 1.00 72.51 C ATOM 901 NE1 TRP A 64 -1.065 -3.119 5.477 1.00 63.23 N ATOM 902 CE2 TRP A 64 -0.790 -3.529 4.187 1.00 42.10 C ATOM 903 CE3 TRP A 64 1.230 -3.734 2.873 1.00 74.13 C ATOM 904 CZ2 TRP A 64 -1.576 -3.895 3.079 1.00 23.31 C ATOM 905 CZ3 TRP A 64 0.462 -4.112 1.765 1.00 23.13 C ATOM 906 CH2 TRP A 64 -0.939 -4.218 1.863 1.00 11.04 C ATOM 0 H TRP A 64 2.946 -4.549 7.845 1.00 21.14 H new ATOM 0 HA TRP A 64 3.351 -4.584 4.905 1.00 32.31 H new ATOM 0 HB2 TRP A 64 2.576 -2.380 6.805 1.00 51.42 H new ATOM 0 HB3 TRP A 64 3.023 -2.144 5.127 1.00 51.42 H new ATOM 0 HD1 TRP A 64 0.115 -2.578 7.236 1.00 74.14 H new ATOM 0 HE1 TRP A 64 -2.007 -3.007 5.851 1.00 63.23 H new ATOM 0 HE3 TRP A 64 2.299 -3.624 2.765 1.00 74.13 H new ATOM 0 HZ2 TRP A 64 -2.653 -3.928 3.159 1.00 23.31 H new ATOM 0 HZ3 TRP A 64 0.949 -4.325 0.825 1.00 23.13 H new ATOM 0 HH2 TRP A 64 -1.521 -4.544 1.014 1.00 11.04 H new ATOM 916 N MET A 65 5.759 -4.266 5.260 1.00 22.23 N ATOM 917 CA MET A 65 7.202 -4.067 5.266 1.00 51.22 C ATOM 918 C MET A 65 7.684 -3.060 4.210 1.00 55.03 C ATOM 919 O MET A 65 6.943 -2.711 3.289 1.00 33.25 O ATOM 920 CB MET A 65 7.854 -5.430 5.060 1.00 11.41 C ATOM 921 CG MET A 65 7.566 -6.072 3.691 1.00 15.03 C ATOM 922 SD MET A 65 9.019 -6.692 2.800 1.00 73.34 S ATOM 923 CE MET A 65 9.837 -7.632 4.120 1.00 62.44 C ATOM 0 H MET A 65 5.454 -4.860 4.489 1.00 22.23 H new ATOM 0 HA MET A 65 7.491 -3.633 6.223 1.00 51.22 H new ATOM 0 HB2 MET A 65 8.932 -5.325 5.179 1.00 11.41 H new ATOM 0 HB3 MET A 65 7.511 -6.105 5.844 1.00 11.41 H new ATOM 0 HG2 MET A 65 6.870 -6.898 3.836 1.00 15.03 H new ATOM 0 HG3 MET A 65 7.062 -5.337 3.063 1.00 15.03 H new ATOM 0 HE1 MET A 65 10.404 -8.454 3.683 1.00 62.44 H new ATOM 0 HE2 MET A 65 10.513 -6.976 4.668 1.00 62.44 H new ATOM 0 HE3 MET A 65 9.086 -8.031 4.802 1.00 62.44 H new ATOM 931 N GLN A 66 8.958 -2.659 4.300 1.00 4.13 N ATOM 932 CA GLN A 66 9.661 -1.773 3.375 1.00 22.14 C ATOM 933 C GLN A 66 10.808 -2.527 2.675 1.00 75.43 C ATOM 934 O GLN A 66 11.953 -2.470 3.141 1.00 42.11 O ATOM 935 CB GLN A 66 10.174 -0.500 4.070 1.00 41.24 C ATOM 936 CG GLN A 66 9.131 0.148 4.977 1.00 52.04 C ATOM 937 CD GLN A 66 9.528 1.559 5.378 1.00 44.43 C ATOM 938 OE1 GLN A 66 10.550 1.783 6.022 1.00 52.40 O ATOM 939 NE2 GLN A 66 8.761 2.556 4.981 1.00 63.54 N ATOM 0 H GLN A 66 9.557 -2.964 5.067 1.00 4.13 H new ATOM 0 HA GLN A 66 8.945 -1.451 2.619 1.00 22.14 H new ATOM 0 HB2 GLN A 66 11.057 -0.746 4.660 1.00 41.24 H new ATOM 0 HB3 GLN A 66 10.486 0.220 3.313 1.00 41.24 H new ATOM 0 HG2 GLN A 66 8.169 0.173 4.464 1.00 52.04 H new ATOM 0 HG3 GLN A 66 9.000 -0.460 5.872 1.00 52.04 H new ATOM 0 HE21 GLN A 66 7.913 2.366 4.447 1.00 63.54 H new ATOM 0 HE22 GLN A 66 9.016 3.517 5.208 1.00 63.54 H new ATOM 946 N PRO A 67 10.546 -3.238 1.565 1.00 23.24 N ATOM 947 CA PRO A 67 11.571 -3.951 0.792 1.00 44.04 C ATOM 948 C PRO A 67 12.506 -2.994 0.032 1.00 24.34 C ATOM 949 O PRO A 67 13.542 -3.405 -0.496 1.00 62.33 O ATOM 950 CB PRO A 67 10.788 -4.816 -0.195 1.00 21.51 C ATOM 951 CG PRO A 67 9.550 -3.961 -0.450 1.00 20.23 C ATOM 952 CD PRO A 67 9.251 -3.367 0.920 1.00 55.41 C ATOM 0 HA PRO A 67 12.217 -4.532 1.450 1.00 44.04 H new ATOM 0 HB2 PRO A 67 11.351 -5.003 -1.110 1.00 21.51 H new ATOM 0 HB3 PRO A 67 10.533 -5.788 0.227 1.00 21.51 H new ATOM 0 HG2 PRO A 67 9.741 -3.186 -1.192 1.00 20.23 H new ATOM 0 HG3 PRO A 67 8.717 -4.558 -0.821 1.00 20.23 H new ATOM 0 HD2 PRO A 67 8.756 -2.400 0.831 1.00 55.41 H new ATOM 0 HD3 PRO A 67 8.587 -4.013 1.494 1.00 55.41 H new ATOM 957 N VAL A 68 12.146 -1.716 -0.036 1.00 71.50 N ATOM 958 CA VAL A 68 12.982 -0.617 -0.479 1.00 72.33 C ATOM 959 C VAL A 68 12.980 0.387 0.673 1.00 54.41 C ATOM 960 O VAL A 68 11.917 0.810 1.136 1.00 43.24 O ATOM 961 CB VAL A 68 12.499 -0.111 -1.855 1.00 31.31 C ATOM 962 CG1 VAL A 68 11.006 0.235 -1.919 1.00 34.44 C ATOM 963 CG2 VAL A 68 13.302 1.091 -2.359 1.00 32.51 C ATOM 0 H VAL A 68 11.211 -1.408 0.232 1.00 71.50 H new ATOM 0 HA VAL A 68 14.021 -0.882 -0.675 1.00 72.33 H new ATOM 0 HB VAL A 68 12.669 -0.967 -2.508 1.00 31.31 H new ATOM 0 HG11 VAL A 68 10.755 0.581 -2.922 1.00 34.44 H new ATOM 0 HG12 VAL A 68 10.417 -0.651 -1.684 1.00 34.44 H new ATOM 0 HG13 VAL A 68 10.783 1.021 -1.197 1.00 34.44 H new ATOM 0 HG21 VAL A 68 12.918 1.404 -3.330 1.00 32.51 H new ATOM 0 HG22 VAL A 68 13.209 1.914 -1.650 1.00 32.51 H new ATOM 0 HG23 VAL A 68 14.351 0.813 -2.456 1.00 32.51 H new ATOM 973 N ARG A 69 14.168 0.712 1.185 1.00 2.34 N ATOM 974 CA ARG A 69 14.410 1.517 2.376 1.00 71.42 C ATOM 975 C ARG A 69 15.262 2.707 1.932 1.00 55.22 C ATOM 976 O ARG A 69 16.409 2.901 2.341 1.00 62.44 O ATOM 977 CB ARG A 69 15.016 0.615 3.472 1.00 55.30 C ATOM 978 CG ARG A 69 14.740 1.095 4.911 1.00 1.15 C ATOM 979 CD ARG A 69 15.935 1.736 5.621 1.00 74.53 C ATOM 980 NE ARG A 69 16.675 0.763 6.446 1.00 21.22 N ATOM 981 CZ ARG A 69 17.953 0.848 6.821 1.00 73.12 C ATOM 982 NH1 ARG A 69 18.685 1.914 6.527 1.00 33.22 N ATOM 983 NH2 ARG A 69 18.502 -0.164 7.470 1.00 21.25 N ATOM 0 H ARG A 69 15.037 0.400 0.751 1.00 2.34 H new ATOM 0 HA ARG A 69 13.510 1.929 2.832 1.00 71.42 H new ATOM 0 HB2 ARG A 69 14.621 -0.394 3.356 1.00 55.30 H new ATOM 0 HB3 ARG A 69 16.094 0.554 3.322 1.00 55.30 H new ATOM 0 HG2 ARG A 69 13.922 1.815 4.887 1.00 1.15 H new ATOM 0 HG3 ARG A 69 14.399 0.245 5.502 1.00 1.15 H new ATOM 0 HD2 ARG A 69 16.607 2.169 4.880 1.00 74.53 H new ATOM 0 HD3 ARG A 69 15.586 2.554 6.251 1.00 74.53 H new ATOM 0 HE ARG A 69 16.158 -0.058 6.762 1.00 21.22 H new ATOM 0 HH11 ARG A 69 18.273 2.688 6.005 1.00 33.22 H new ATOM 0 HH12 ARG A 69 19.660 1.960 6.822 1.00 33.22 H new ATOM 0 HH21 ARG A 69 17.950 -0.996 7.678 1.00 21.25 H new ATOM 0 HH22 ARG A 69 19.478 -0.113 7.763 1.00 21.25 H new ATOM 994 N SER A 70 14.670 3.480 1.033 1.00 62.20 N ATOM 995 CA SER A 70 15.196 4.636 0.343 1.00 63.31 C ATOM 996 C SER A 70 14.198 5.777 0.549 1.00 4.12 C ATOM 997 O SER A 70 13.055 5.550 0.954 1.00 40.23 O ATOM 998 CB SER A 70 15.293 4.309 -1.159 1.00 64.14 C ATOM 999 OG SER A 70 16.337 3.414 -1.495 1.00 41.24 O ATOM 0 H SER A 70 13.711 3.288 0.743 1.00 62.20 H new ATOM 0 HA SER A 70 16.182 4.911 0.718 1.00 63.31 H new ATOM 0 HB2 SER A 70 14.345 3.883 -1.488 1.00 64.14 H new ATOM 0 HB3 SER A 70 15.434 5.237 -1.712 1.00 64.14 H new ATOM 0 HG SER A 70 16.659 3.612 -2.399 1.00 41.24 H new ATOM 1004 N THR A 71 14.607 6.986 0.175 1.00 52.32 N ATOM 1005 CA THR A 71 13.717 8.133 0.017 1.00 60.21 C ATOM 1006 C THR A 71 13.713 8.618 -1.441 1.00 35.01 C ATOM 1007 O THR A 71 12.886 9.450 -1.801 1.00 31.41 O ATOM 1008 CB THR A 71 13.975 9.184 1.102 1.00 61.32 C ATOM 1009 OG1 THR A 71 12.993 10.202 1.143 1.00 64.10 O ATOM 1010 CG2 THR A 71 15.347 9.762 0.897 1.00 2.11 C ATOM 0 H THR A 71 15.583 7.200 -0.030 1.00 52.32 H new ATOM 0 HA THR A 71 12.681 7.844 0.194 1.00 60.21 H new ATOM 0 HB THR A 71 13.915 8.687 2.070 1.00 61.32 H new ATOM 0 HG1 THR A 71 12.650 10.362 0.239 1.00 64.10 H new ATOM 0 HG21 THR A 71 15.544 10.512 1.663 1.00 2.11 H new ATOM 0 HG22 THR A 71 16.090 8.968 0.967 1.00 2.11 H new ATOM 0 HG23 THR A 71 15.403 10.226 -0.088 1.00 2.11 H new ATOM 1018 N PHE A 72 14.589 8.087 -2.300 1.00 4.13 N ATOM 1019 CA PHE A 72 14.622 8.409 -3.717 1.00 35.15 C ATOM 1020 C PHE A 72 13.263 8.172 -4.359 1.00 53.51 C ATOM 1021 O PHE A 72 12.808 7.038 -4.459 1.00 12.11 O ATOM 1022 CB PHE A 72 15.723 7.609 -4.420 1.00 73.32 C ATOM 1023 CG PHE A 72 16.996 8.385 -4.704 1.00 2.21 C ATOM 1024 CD1 PHE A 72 17.453 9.419 -3.860 1.00 3.35 C ATOM 1025 CD2 PHE A 72 17.715 8.082 -5.870 1.00 64.02 C ATOM 1026 CE1 PHE A 72 18.598 10.157 -4.205 1.00 21.41 C ATOM 1027 CE2 PHE A 72 18.868 8.802 -6.206 1.00 75.40 C ATOM 1028 CZ PHE A 72 19.303 9.847 -5.381 1.00 31.43 C ATOM 0 H PHE A 72 15.302 7.413 -2.020 1.00 4.13 H new ATOM 0 HA PHE A 72 14.854 9.468 -3.828 1.00 35.15 H new ATOM 0 HB2 PHE A 72 15.972 6.744 -3.805 1.00 73.32 H new ATOM 0 HB3 PHE A 72 15.329 7.228 -5.362 1.00 73.32 H new ATOM 0 HD1 PHE A 72 16.922 9.644 -2.947 1.00 3.35 H new ATOM 0 HD2 PHE A 72 17.376 7.285 -6.515 1.00 64.02 H new ATOM 0 HE1 PHE A 72 18.936 10.961 -3.568 1.00 21.41 H new ATOM 0 HE2 PHE A 72 19.421 8.552 -7.100 1.00 75.40 H new ATOM 0 HZ PHE A 72 20.181 10.415 -5.649 1.00 31.43 H new ATOM 1037 N GLU A 73 12.647 9.254 -4.822 1.00 62.33 N ATOM 1038 CA GLU A 73 11.416 9.244 -5.599 1.00 42.44 C ATOM 1039 C GLU A 73 11.435 8.186 -6.722 1.00 61.12 C ATOM 1040 O GLU A 73 10.454 7.453 -6.846 1.00 40.22 O ATOM 1041 CB GLU A 73 11.102 10.647 -6.151 1.00 71.42 C ATOM 1042 CG GLU A 73 11.524 11.823 -5.247 1.00 15.42 C ATOM 1043 CD GLU A 73 11.025 13.165 -5.776 1.00 15.52 C ATOM 1044 OE1 GLU A 73 9.792 13.359 -5.899 1.00 23.42 O ATOM 1045 OE2 GLU A 73 11.874 14.022 -6.122 1.00 64.41 O ATOM 0 H GLU A 73 13.005 10.195 -4.660 1.00 62.33 H new ATOM 0 HA GLU A 73 10.612 8.959 -4.920 1.00 42.44 H new ATOM 0 HB2 GLU A 73 11.595 10.758 -7.117 1.00 71.42 H new ATOM 0 HB3 GLU A 73 10.029 10.716 -6.331 1.00 71.42 H new ATOM 0 HG2 GLU A 73 11.135 11.664 -4.241 1.00 15.42 H new ATOM 0 HG3 GLU A 73 12.611 11.847 -5.168 1.00 15.42 H new ATOM 1050 N PRO A 74 12.509 8.036 -7.531 1.00 54.30 N ATOM 1051 CA PRO A 74 12.557 6.978 -8.536 1.00 1.54 C ATOM 1052 C PRO A 74 12.580 5.578 -7.936 1.00 34.32 C ATOM 1053 O PRO A 74 11.936 4.690 -8.488 1.00 3.53 O ATOM 1054 CB PRO A 74 13.803 7.234 -9.378 1.00 34.33 C ATOM 1055 CG PRO A 74 14.680 8.113 -8.492 1.00 75.04 C ATOM 1056 CD PRO A 74 13.666 8.915 -7.690 1.00 32.44 C ATOM 0 HA PRO A 74 11.649 7.008 -9.138 1.00 1.54 H new ATOM 0 HB2 PRO A 74 14.306 6.303 -9.638 1.00 34.33 H new ATOM 0 HB3 PRO A 74 13.555 7.734 -10.314 1.00 34.33 H new ATOM 0 HG2 PRO A 74 15.325 7.518 -7.846 1.00 75.04 H new ATOM 0 HG3 PRO A 74 15.329 8.760 -9.082 1.00 75.04 H new ATOM 0 HD2 PRO A 74 14.073 9.206 -6.722 1.00 32.44 H new ATOM 0 HD3 PRO A 74 13.393 9.833 -8.210 1.00 32.44 H new ATOM 1061 N ASP A 75 13.267 5.363 -6.810 1.00 72.11 N ATOM 1062 CA ASP A 75 13.329 4.045 -6.175 1.00 63.40 C ATOM 1063 C ASP A 75 11.918 3.641 -5.753 1.00 12.24 C ATOM 1064 O ASP A 75 11.587 2.456 -5.748 1.00 73.33 O ATOM 1065 CB ASP A 75 14.206 4.023 -4.907 1.00 52.01 C ATOM 1066 CG ASP A 75 15.707 4.227 -5.073 1.00 74.21 C ATOM 1067 OD1 ASP A 75 16.207 4.595 -6.161 1.00 11.55 O ATOM 1068 OD2 ASP A 75 16.418 4.066 -4.051 1.00 15.45 O ATOM 0 H ASP A 75 13.789 6.088 -6.319 1.00 72.11 H new ATOM 0 HA ASP A 75 13.765 3.363 -6.905 1.00 63.40 H new ATOM 0 HB2 ASP A 75 13.837 4.795 -4.232 1.00 52.01 H new ATOM 0 HB3 ASP A 75 14.052 3.065 -4.411 1.00 52.01 H new ATOM 1072 N LEU A 76 11.097 4.631 -5.391 1.00 15.35 N ATOM 1073 CA LEU A 76 9.791 4.464 -4.777 1.00 41.21 C ATOM 1074 C LEU A 76 8.646 4.449 -5.787 1.00 21.52 C ATOM 1075 O LEU A 76 7.490 4.265 -5.402 1.00 0.04 O ATOM 1076 CB LEU A 76 9.557 5.578 -3.750 1.00 33.23 C ATOM 1077 CG LEU A 76 10.562 5.597 -2.583 1.00 20.43 C ATOM 1078 CD1 LEU A 76 10.405 6.936 -1.876 1.00 15.52 C ATOM 1079 CD2 LEU A 76 10.346 4.457 -1.586 1.00 71.40 C ATOM 0 H LEU A 76 11.342 5.612 -5.527 1.00 15.35 H new ATOM 0 HA LEU A 76 9.795 3.488 -4.291 1.00 41.21 H new ATOM 0 HB2 LEU A 76 9.596 6.540 -4.262 1.00 33.23 H new ATOM 0 HB3 LEU A 76 8.551 5.474 -3.344 1.00 33.23 H new ATOM 0 HG LEU A 76 11.566 5.460 -2.984 1.00 20.43 H new ATOM 0 HD11 LEU A 76 11.102 6.990 -1.040 1.00 15.52 H new ATOM 0 HD12 LEU A 76 10.616 7.744 -2.576 1.00 15.52 H new ATOM 0 HD13 LEU A 76 9.385 7.034 -1.505 1.00 15.52 H new ATOM 0 HD21 LEU A 76 11.085 4.526 -0.788 1.00 71.40 H new ATOM 0 HD22 LEU A 76 9.345 4.530 -1.161 1.00 71.40 H new ATOM 0 HD23 LEU A 76 10.453 3.501 -2.098 1.00 71.40 H new ATOM 1090 N ASP A 77 8.935 4.663 -7.063 1.00 75.41 N ATOM 1091 CA ASP A 77 7.958 4.571 -8.149 1.00 2.44 C ATOM 1092 C ASP A 77 8.307 3.414 -9.068 1.00 35.31 C ATOM 1093 O ASP A 77 7.465 2.553 -9.320 1.00 53.12 O ATOM 1094 CB ASP A 77 7.871 5.899 -8.911 1.00 72.10 C ATOM 1095 CG ASP A 77 6.421 6.194 -9.277 1.00 75.00 C ATOM 1096 OD1 ASP A 77 5.725 6.740 -8.394 1.00 44.32 O ATOM 1097 OD2 ASP A 77 5.970 5.869 -10.396 1.00 4.15 O ATOM 0 H ASP A 77 9.872 4.910 -7.383 1.00 75.41 H new ATOM 0 HA ASP A 77 6.972 4.375 -7.727 1.00 2.44 H new ATOM 0 HB2 ASP A 77 8.272 6.707 -8.298 1.00 72.10 H new ATOM 0 HB3 ASP A 77 8.480 5.851 -9.814 1.00 72.10 H new ATOM 1101 N ALA A 78 9.580 3.318 -9.472 1.00 4.25 N ATOM 1102 CA ALA A 78 10.068 2.262 -10.345 1.00 75.30 C ATOM 1103 C ALA A 78 9.835 0.877 -9.754 1.00 72.52 C ATOM 1104 O ALA A 78 9.732 -0.086 -10.511 1.00 61.20 O ATOM 1105 CB ALA A 78 11.566 2.438 -10.576 1.00 11.35 C ATOM 0 H ALA A 78 10.302 3.983 -9.194 1.00 4.25 H new ATOM 0 HA ALA A 78 9.516 2.338 -11.282 1.00 75.30 H new ATOM 0 HB1 ALA A 78 11.929 1.645 -11.230 1.00 11.35 H new ATOM 0 HB2 ALA A 78 11.751 3.406 -11.041 1.00 11.35 H new ATOM 0 HB3 ALA A 78 12.090 2.388 -9.621 1.00 11.35 H new ATOM 1111 N TYR A 79 9.754 0.774 -8.423 1.00 15.32 N ATOM 1112 CA TYR A 79 9.408 -0.457 -7.730 1.00 34.42 C ATOM 1113 C TYR A 79 8.074 -0.998 -8.244 1.00 31.12 C ATOM 1114 O TYR A 79 7.970 -2.152 -8.656 1.00 4.31 O ATOM 1115 CB TYR A 79 9.334 -0.194 -6.221 1.00 44.10 C ATOM 1116 CG TYR A 79 9.398 -1.457 -5.398 1.00 62.30 C ATOM 1117 CD1 TYR A 79 8.298 -2.328 -5.371 1.00 20.52 C ATOM 1118 CD2 TYR A 79 10.569 -1.781 -4.693 1.00 44.02 C ATOM 1119 CE1 TYR A 79 8.378 -3.552 -4.696 1.00 34.44 C ATOM 1120 CE2 TYR A 79 10.650 -2.991 -3.988 1.00 63.52 C ATOM 1121 CZ TYR A 79 9.566 -3.893 -4.005 1.00 44.31 C ATOM 1122 OH TYR A 79 9.710 -5.078 -3.358 1.00 72.12 O ATOM 0 H TYR A 79 9.931 1.558 -7.795 1.00 15.32 H new ATOM 0 HA TYR A 79 10.177 -1.205 -7.923 1.00 34.42 H new ATOM 0 HB2 TYR A 79 10.154 0.463 -5.932 1.00 44.10 H new ATOM 0 HB3 TYR A 79 8.407 0.334 -5.995 1.00 44.10 H new ATOM 0 HD1 TYR A 79 7.383 -2.052 -5.874 1.00 20.52 H new ATOM 0 HD2 TYR A 79 11.406 -1.099 -4.694 1.00 44.02 H new ATOM 0 HE1 TYR A 79 7.539 -4.232 -4.702 1.00 34.44 H new ATOM 0 HE2 TYR A 79 11.544 -3.232 -3.431 1.00 63.52 H new ATOM 0 HH TYR A 79 10.657 -5.227 -3.155 1.00 72.12 H new ATOM 1131 N ALA A 80 7.037 -0.162 -8.217 1.00 12.12 N ATOM 1132 CA ALA A 80 5.707 -0.552 -8.637 1.00 41.44 C ATOM 1133 C ALA A 80 5.652 -0.789 -10.141 1.00 1.32 C ATOM 1134 O ALA A 80 4.924 -1.670 -10.584 1.00 40.42 O ATOM 1135 CB ALA A 80 4.711 0.518 -8.189 1.00 42.30 C ATOM 0 H ALA A 80 7.104 0.806 -7.901 1.00 12.12 H new ATOM 0 HA ALA A 80 5.439 -1.498 -8.167 1.00 41.44 H new ATOM 0 HB1 ALA A 80 3.706 0.233 -8.501 1.00 42.30 H new ATOM 0 HB2 ALA A 80 4.741 0.611 -7.103 1.00 42.30 H new ATOM 0 HB3 ALA A 80 4.975 1.473 -8.643 1.00 42.30 H new ATOM 1141 N GLU A 81 6.449 -0.063 -10.931 1.00 52.12 N ATOM 1142 CA GLU A 81 6.492 -0.271 -12.376 1.00 1.02 C ATOM 1143 C GLU A 81 7.014 -1.681 -12.639 1.00 13.31 C ATOM 1144 O GLU A 81 6.463 -2.402 -13.473 1.00 34.45 O ATOM 1145 CB GLU A 81 7.359 0.786 -13.082 1.00 4.21 C ATOM 1146 CG GLU A 81 6.843 2.217 -12.881 1.00 12.42 C ATOM 1147 CD GLU A 81 7.409 3.161 -13.937 1.00 72.24 C ATOM 1148 OE1 GLU A 81 6.778 3.280 -15.011 1.00 24.34 O ATOM 1149 OE2 GLU A 81 8.510 3.723 -13.744 1.00 33.14 O ATOM 0 H GLU A 81 7.071 0.671 -10.592 1.00 52.12 H new ATOM 0 HA GLU A 81 5.488 -0.163 -12.787 1.00 1.02 H new ATOM 0 HB2 GLU A 81 8.381 0.718 -12.708 1.00 4.21 H new ATOM 0 HB3 GLU A 81 7.395 0.565 -14.149 1.00 4.21 H new ATOM 0 HG2 GLU A 81 5.754 2.224 -12.929 1.00 12.42 H new ATOM 0 HG3 GLU A 81 7.120 2.570 -11.888 1.00 12.42 H new ATOM 1154 N ARG A 82 8.032 -2.077 -11.872 1.00 72.40 N ATOM 1155 CA ARG A 82 8.688 -3.363 -11.950 1.00 53.11 C ATOM 1156 C ARG A 82 7.757 -4.488 -11.564 1.00 0.35 C ATOM 1157 O ARG A 82 7.508 -5.359 -12.392 1.00 24.31 O ATOM 1158 CB ARG A 82 9.926 -3.332 -11.041 1.00 12.22 C ATOM 1159 CG ARG A 82 10.964 -4.416 -11.333 1.00 12.41 C ATOM 1160 CD ARG A 82 12.072 -4.316 -10.274 1.00 55.22 C ATOM 1161 NE ARG A 82 13.304 -5.028 -10.650 1.00 1.43 N ATOM 1162 CZ ARG A 82 14.295 -4.561 -11.421 1.00 43.44 C ATOM 1163 NH1 ARG A 82 14.162 -3.409 -12.067 1.00 13.42 N ATOM 1164 NH2 ARG A 82 15.416 -5.263 -11.538 1.00 11.14 N ATOM 0 H ARG A 82 8.431 -1.476 -11.151 1.00 72.40 H new ATOM 0 HA ARG A 82 8.990 -3.551 -12.980 1.00 53.11 H new ATOM 0 HB2 ARG A 82 10.404 -2.357 -11.135 1.00 12.22 H new ATOM 0 HB3 ARG A 82 9.601 -3.430 -10.005 1.00 12.22 H new ATOM 0 HG2 ARG A 82 10.501 -5.403 -11.307 1.00 12.41 H new ATOM 0 HG3 ARG A 82 11.380 -4.285 -12.332 1.00 12.41 H new ATOM 0 HD2 ARG A 82 12.306 -3.266 -10.102 1.00 55.22 H new ATOM 0 HD3 ARG A 82 11.701 -4.719 -9.331 1.00 55.22 H new ATOM 0 HE ARG A 82 13.415 -5.974 -10.286 1.00 1.43 H new ATOM 0 HH11 ARG A 82 13.300 -2.871 -11.979 1.00 13.42 H new ATOM 0 HH12 ARG A 82 14.922 -3.061 -12.652 1.00 13.42 H new ATOM 0 HH21 ARG A 82 15.517 -6.149 -11.043 1.00 11.14 H new ATOM 0 HH22 ARG A 82 16.176 -4.916 -12.123 1.00 11.14 H new ATOM 1175 N ALA A 83 7.270 -4.474 -10.322 1.00 75.21 N ATOM 1176 CA ALA A 83 6.494 -5.561 -9.749 1.00 23.31 C ATOM 1177 C ALA A 83 5.288 -5.829 -10.650 1.00 4.11 C ATOM 1178 O ALA A 83 5.015 -6.969 -11.040 1.00 42.24 O ATOM 1179 CB ALA A 83 6.076 -5.193 -8.314 1.00 62.24 C ATOM 0 H ALA A 83 7.409 -3.693 -9.681 1.00 75.21 H new ATOM 0 HA ALA A 83 7.086 -6.474 -9.691 1.00 23.31 H new ATOM 0 HB1 ALA A 83 5.494 -6.008 -7.884 1.00 62.24 H new ATOM 0 HB2 ALA A 83 6.966 -5.024 -7.708 1.00 62.24 H new ATOM 0 HB3 ALA A 83 5.472 -4.286 -8.332 1.00 62.24 H new ATOM 1185 N ALA A 84 4.629 -4.750 -11.075 1.00 23.14 N ATOM 1186 CA ALA A 84 3.403 -4.796 -11.853 1.00 60.31 C ATOM 1187 C ALA A 84 3.700 -4.957 -13.352 1.00 74.43 C ATOM 1188 O ALA A 84 3.036 -4.347 -14.190 1.00 40.24 O ATOM 1189 CB ALA A 84 2.574 -3.546 -11.543 1.00 12.13 C ATOM 0 H ALA A 84 4.945 -3.800 -10.880 1.00 23.14 H new ATOM 0 HA ALA A 84 2.818 -5.672 -11.573 1.00 60.31 H new ATOM 0 HB1 ALA A 84 1.651 -3.569 -12.122 1.00 12.13 H new ATOM 0 HB2 ALA A 84 2.336 -3.522 -10.480 1.00 12.13 H new ATOM 0 HB3 ALA A 84 3.145 -2.656 -11.807 1.00 12.13 H new ATOM 1195 N ARG A 85 4.727 -5.732 -13.717 1.00 51.41 N ATOM 1196 CA ARG A 85 4.925 -6.263 -15.069 1.00 4.34 C ATOM 1197 C ARG A 85 4.952 -7.786 -15.063 1.00 60.43 C ATOM 1198 O ARG A 85 4.632 -8.380 -16.098 1.00 1.42 O ATOM 1199 CB ARG A 85 6.232 -5.725 -15.674 1.00 52.12 C ATOM 1200 CG ARG A 85 6.084 -4.284 -16.171 1.00 63.41 C ATOM 1201 CD ARG A 85 7.470 -3.670 -16.363 1.00 72.32 C ATOM 1202 NE ARG A 85 7.392 -2.288 -16.857 1.00 20.53 N ATOM 1203 CZ ARG A 85 7.793 -1.838 -18.048 1.00 4.05 C ATOM 1204 NH1 ARG A 85 8.100 -2.682 -19.030 1.00 21.42 N ATOM 1205 NH2 ARG A 85 7.900 -0.536 -18.273 1.00 44.22 N ATOM 0 H ARG A 85 5.460 -6.013 -13.066 1.00 51.41 H new ATOM 0 HA ARG A 85 4.085 -5.933 -15.680 1.00 4.34 H new ATOM 0 HB2 ARG A 85 7.024 -5.771 -14.926 1.00 52.12 H new ATOM 0 HB3 ARG A 85 6.538 -6.364 -16.502 1.00 52.12 H new ATOM 0 HG2 ARG A 85 5.533 -4.266 -17.111 1.00 63.41 H new ATOM 0 HG3 ARG A 85 5.510 -3.697 -15.454 1.00 63.41 H new ATOM 0 HD2 ARG A 85 8.009 -3.687 -15.416 1.00 72.32 H new ATOM 0 HD3 ARG A 85 8.041 -4.276 -17.066 1.00 72.32 H new ATOM 0 HE ARG A 85 6.988 -1.599 -16.222 1.00 20.53 H new ATOM 0 HH11 ARG A 85 8.030 -3.688 -18.878 1.00 21.42 H new ATOM 0 HH12 ARG A 85 8.405 -2.323 -19.935 1.00 21.42 H new ATOM 0 HH21 ARG A 85 7.675 0.130 -17.533 1.00 44.22 H new ATOM 0 HH22 ARG A 85 8.207 -0.200 -19.186 1.00 44.22 H new ATOM 1216 N ILE A 86 5.350 -8.425 -13.956 1.00 40.03 N ATOM 1217 CA ILE A 86 5.544 -9.877 -13.908 1.00 55.34 C ATOM 1218 C ILE A 86 4.482 -10.526 -13.016 1.00 11.33 C ATOM 1219 O ILE A 86 4.066 -11.650 -13.286 1.00 63.44 O ATOM 1220 CB ILE A 86 6.985 -10.276 -13.487 1.00 74.44 C ATOM 1221 CG1 ILE A 86 8.105 -9.319 -13.969 1.00 71.20 C ATOM 1222 CG2 ILE A 86 7.285 -11.681 -14.036 1.00 15.43 C ATOM 1223 CD1 ILE A 86 8.515 -8.329 -12.873 1.00 61.31 C ATOM 0 H ILE A 86 5.545 -7.952 -13.074 1.00 40.03 H new ATOM 0 HA ILE A 86 5.418 -10.260 -14.921 1.00 55.34 H new ATOM 0 HB ILE A 86 6.997 -10.230 -12.398 1.00 74.44 H new ATOM 0 HG12 ILE A 86 8.974 -9.901 -14.277 1.00 71.20 H new ATOM 0 HG13 ILE A 86 7.762 -8.770 -14.846 1.00 71.20 H new ATOM 0 HG21 ILE A 86 8.294 -11.976 -13.749 1.00 15.43 H new ATOM 0 HG22 ILE A 86 6.568 -12.393 -13.626 1.00 15.43 H new ATOM 0 HG23 ILE A 86 7.205 -11.672 -15.123 1.00 15.43 H new ATOM 0 HD11 ILE A 86 9.302 -7.675 -13.249 1.00 61.31 H new ATOM 0 HD12 ILE A 86 7.652 -7.729 -12.583 1.00 61.31 H new ATOM 0 HD13 ILE A 86 8.883 -8.878 -12.006 1.00 61.31 H new ATOM 1234 N ASP A 87 4.001 -9.807 -12.000 1.00 4.44 N ATOM 1235 CA ASP A 87 2.952 -10.249 -11.087 1.00 1.02 C ATOM 1236 C ASP A 87 1.673 -9.510 -11.464 1.00 0.33 C ATOM 1237 O ASP A 87 1.440 -8.423 -10.944 1.00 71.13 O ATOM 1238 CB ASP A 87 3.331 -10.018 -9.616 1.00 40.42 C ATOM 1239 CG ASP A 87 4.306 -11.086 -9.136 1.00 55.41 C ATOM 1240 OD1 ASP A 87 5.518 -10.971 -9.426 1.00 3.22 O ATOM 1241 OD2 ASP A 87 3.868 -12.082 -8.518 1.00 55.00 O ATOM 0 H ASP A 87 4.344 -8.871 -11.785 1.00 4.44 H new ATOM 0 HA ASP A 87 2.807 -11.325 -11.184 1.00 1.02 H new ATOM 0 HB2 ASP A 87 3.780 -9.031 -9.502 1.00 40.42 H new ATOM 0 HB3 ASP A 87 2.434 -10.034 -8.997 1.00 40.42 H new ATOM 1245 N PRO A 88 0.856 -9.998 -12.417 1.00 22.42 N ATOM 1246 CA PRO A 88 -0.407 -9.343 -12.755 1.00 31.13 C ATOM 1247 C PRO A 88 -1.364 -9.325 -11.556 1.00 14.43 C ATOM 1248 O PRO A 88 -2.213 -8.442 -11.446 1.00 50.32 O ATOM 1249 CB PRO A 88 -0.988 -10.176 -13.904 1.00 52.13 C ATOM 1250 CG PRO A 88 -0.439 -11.575 -13.637 1.00 2.24 C ATOM 1251 CD PRO A 88 0.957 -11.287 -13.092 1.00 14.14 C ATOM 0 HA PRO A 88 -0.259 -8.300 -13.035 1.00 31.13 H new ATOM 0 HB2 PRO A 88 -2.078 -10.164 -13.898 1.00 52.13 H new ATOM 0 HB3 PRO A 88 -0.670 -9.798 -14.876 1.00 52.13 H new ATOM 0 HG2 PRO A 88 -1.050 -12.120 -12.918 1.00 2.24 H new ATOM 0 HG3 PRO A 88 -0.403 -12.177 -14.545 1.00 2.24 H new ATOM 0 HD2 PRO A 88 1.277 -12.067 -12.401 1.00 14.14 H new ATOM 0 HD3 PRO A 88 1.692 -11.252 -13.896 1.00 14.14 H new ATOM 1256 N ASP A 89 -1.214 -10.279 -10.637 1.00 55.02 N ATOM 1257 CA ASP A 89 -2.145 -10.524 -9.545 1.00 74.44 C ATOM 1258 C ASP A 89 -1.841 -9.615 -8.358 1.00 1.42 C ATOM 1259 O ASP A 89 -2.302 -9.885 -7.246 1.00 62.51 O ATOM 1260 CB ASP A 89 -2.096 -12.002 -9.133 1.00 63.23 C ATOM 1261 CG ASP A 89 -2.496 -12.914 -10.287 1.00 71.31 C ATOM 1262 OD1 ASP A 89 -3.529 -12.630 -10.933 1.00 64.43 O ATOM 1263 OD2 ASP A 89 -1.750 -13.879 -10.564 1.00 73.42 O ATOM 0 H ASP A 89 -0.419 -10.918 -10.635 1.00 55.02 H new ATOM 0 HA ASP A 89 -3.154 -10.294 -9.888 1.00 74.44 H new ATOM 0 HB2 ASP A 89 -1.090 -12.255 -8.799 1.00 63.23 H new ATOM 0 HB3 ASP A 89 -2.764 -12.168 -8.288 1.00 63.23 H new ATOM 1267 N ILE A 90 -1.015 -8.584 -8.535 1.00 15.02 N ATOM 1268 CA ILE A 90 -0.650 -7.643 -7.494 1.00 65.21 C ATOM 1269 C ILE A 90 -1.652 -6.484 -7.443 1.00 33.33 C ATOM 1270 O ILE A 90 -2.357 -6.194 -8.414 1.00 12.02 O ATOM 1271 CB ILE A 90 0.804 -7.206 -7.751 1.00 72.12 C ATOM 1272 CG1 ILE A 90 1.491 -6.737 -6.453 1.00 21.42 C ATOM 1273 CG2 ILE A 90 0.920 -6.184 -8.899 1.00 55.41 C ATOM 1274 CD1 ILE A 90 3.007 -6.582 -6.610 1.00 22.13 C ATOM 0 H ILE A 90 -0.574 -8.381 -9.432 1.00 15.02 H new ATOM 0 HA ILE A 90 -0.695 -8.097 -6.504 1.00 65.21 H new ATOM 0 HB ILE A 90 1.349 -8.086 -8.091 1.00 72.12 H new ATOM 0 HG12 ILE A 90 1.062 -5.784 -6.144 1.00 21.42 H new ATOM 0 HG13 ILE A 90 1.283 -7.453 -5.658 1.00 21.42 H new ATOM 0 HG21 ILE A 90 1.966 -5.910 -9.038 1.00 55.41 H new ATOM 0 HG22 ILE A 90 0.535 -6.625 -9.819 1.00 55.41 H new ATOM 0 HG23 ILE A 90 0.341 -5.294 -8.653 1.00 55.41 H new ATOM 0 HD11 ILE A 90 3.439 -6.250 -5.666 1.00 22.13 H new ATOM 0 HD12 ILE A 90 3.444 -7.540 -6.891 1.00 22.13 H new ATOM 0 HD13 ILE A 90 3.219 -5.845 -7.385 1.00 22.13 H new ATOM 1285 N TRP A 91 -1.689 -5.784 -6.316 1.00 42.21 N ATOM 1286 CA TRP A 91 -2.500 -4.595 -6.118 1.00 22.41 C ATOM 1287 C TRP A 91 -1.584 -3.378 -5.993 1.00 24.31 C ATOM 1288 O TRP A 91 -0.416 -3.503 -5.623 1.00 70.32 O ATOM 1289 CB TRP A 91 -3.366 -4.848 -4.884 1.00 41.00 C ATOM 1290 CG TRP A 91 -4.514 -5.772 -5.132 1.00 32.23 C ATOM 1291 CD1 TRP A 91 -4.404 -7.101 -5.340 1.00 12.11 C ATOM 1292 CD2 TRP A 91 -5.941 -5.488 -5.119 1.00 52.30 C ATOM 1293 NE1 TRP A 91 -5.654 -7.649 -5.487 1.00 24.13 N ATOM 1294 CE2 TRP A 91 -6.644 -6.692 -5.410 1.00 53.34 C ATOM 1295 CE3 TRP A 91 -6.717 -4.349 -4.835 1.00 44.00 C ATOM 1296 CZ2 TRP A 91 -8.046 -6.758 -5.416 1.00 30.12 C ATOM 1297 CZ3 TRP A 91 -8.121 -4.425 -4.760 1.00 2.12 C ATOM 1298 CH2 TRP A 91 -8.789 -5.621 -5.069 1.00 44.24 C ATOM 0 H TRP A 91 -1.140 -6.037 -5.494 1.00 42.21 H new ATOM 0 HA TRP A 91 -3.161 -4.385 -6.959 1.00 22.41 H new ATOM 0 HB2 TRP A 91 -2.742 -5.263 -4.093 1.00 41.00 H new ATOM 0 HB3 TRP A 91 -3.751 -3.895 -4.520 1.00 41.00 H new ATOM 0 HD1 TRP A 91 -3.475 -7.649 -5.384 1.00 12.11 H new ATOM 0 HE1 TRP A 91 -5.829 -8.643 -5.635 1.00 24.13 H new ATOM 0 HE3 TRP A 91 -6.227 -3.400 -4.672 1.00 44.00 H new ATOM 0 HZ2 TRP A 91 -8.548 -7.676 -5.685 1.00 30.12 H new ATOM 0 HZ3 TRP A 91 -8.689 -3.556 -4.462 1.00 2.12 H new ATOM 0 HH2 TRP A 91 -9.868 -5.665 -5.040 1.00 44.24 H new ATOM 1308 N VAL A 92 -2.106 -2.196 -6.307 1.00 1.41 N ATOM 1309 CA VAL A 92 -1.409 -0.917 -6.272 1.00 70.12 C ATOM 1310 C VAL A 92 -2.412 0.038 -5.628 1.00 63.33 C ATOM 1311 O VAL A 92 -3.508 0.231 -6.165 1.00 23.42 O ATOM 1312 CB VAL A 92 -1.022 -0.478 -7.701 1.00 13.02 C ATOM 1313 CG1 VAL A 92 -0.315 0.878 -7.730 1.00 32.24 C ATOM 1314 CG2 VAL A 92 -0.088 -1.447 -8.436 1.00 45.32 C ATOM 0 H VAL A 92 -3.076 -2.101 -6.608 1.00 1.41 H new ATOM 0 HA VAL A 92 -0.473 -0.951 -5.714 1.00 70.12 H new ATOM 0 HB VAL A 92 -1.988 -0.443 -8.204 1.00 13.02 H new ATOM 0 HG11 VAL A 92 -0.066 1.137 -8.759 1.00 32.24 H new ATOM 0 HG12 VAL A 92 -0.973 1.640 -7.313 1.00 32.24 H new ATOM 0 HG13 VAL A 92 0.599 0.825 -7.138 1.00 32.24 H new ATOM 0 HG21 VAL A 92 0.130 -1.058 -9.431 1.00 45.32 H new ATOM 0 HG22 VAL A 92 0.841 -1.552 -7.876 1.00 45.32 H new ATOM 0 HG23 VAL A 92 -0.570 -2.420 -8.525 1.00 45.32 H new ATOM 1324 N VAL A 93 -2.083 0.565 -4.453 1.00 4.33 N ATOM 1325 CA VAL A 93 -2.982 1.333 -3.607 1.00 31.11 C ATOM 1326 C VAL A 93 -2.268 2.659 -3.330 1.00 54.30 C ATOM 1327 O VAL A 93 -1.214 2.691 -2.690 1.00 71.34 O ATOM 1328 CB VAL A 93 -3.340 0.505 -2.352 1.00 71.34 C ATOM 1329 CG1 VAL A 93 -4.485 1.140 -1.560 1.00 53.10 C ATOM 1330 CG2 VAL A 93 -3.769 -0.942 -2.670 1.00 10.24 C ATOM 0 H VAL A 93 -1.150 0.464 -4.052 1.00 4.33 H new ATOM 0 HA VAL A 93 -3.943 1.556 -4.070 1.00 31.11 H new ATOM 0 HB VAL A 93 -2.418 0.490 -1.771 1.00 71.34 H new ATOM 0 HG11 VAL A 93 -4.706 0.528 -0.686 1.00 53.10 H new ATOM 0 HG12 VAL A 93 -4.194 2.140 -1.238 1.00 53.10 H new ATOM 0 HG13 VAL A 93 -5.371 1.205 -2.191 1.00 53.10 H new ATOM 0 HG21 VAL A 93 -4.005 -1.464 -1.743 1.00 10.24 H new ATOM 0 HG22 VAL A 93 -4.649 -0.928 -3.313 1.00 10.24 H new ATOM 0 HG23 VAL A 93 -2.956 -1.459 -3.180 1.00 10.24 H new ATOM 1340 N GLU A 94 -2.791 3.742 -3.902 1.00 4.13 N ATOM 1341 CA GLU A 94 -2.114 5.026 -4.014 1.00 12.44 C ATOM 1342 C GLU A 94 -2.799 6.021 -3.071 1.00 45.33 C ATOM 1343 O GLU A 94 -4.010 6.233 -3.190 1.00 34.53 O ATOM 1344 CB GLU A 94 -2.192 5.469 -5.487 1.00 65.20 C ATOM 1345 CG GLU A 94 -1.435 4.544 -6.457 1.00 3.01 C ATOM 1346 CD GLU A 94 0.094 4.552 -6.298 1.00 45.30 C ATOM 1347 OE1 GLU A 94 0.622 5.350 -5.492 1.00 32.44 O ATOM 1348 OE2 GLU A 94 0.749 3.763 -7.011 1.00 30.53 O ATOM 0 H GLU A 94 -3.725 3.747 -4.311 1.00 4.13 H new ATOM 0 HA GLU A 94 -1.064 4.966 -3.726 1.00 12.44 H new ATOM 0 HB2 GLU A 94 -3.239 5.516 -5.787 1.00 65.20 H new ATOM 0 HB3 GLU A 94 -1.790 6.478 -5.575 1.00 65.20 H new ATOM 0 HG2 GLU A 94 -1.795 3.524 -6.319 1.00 3.01 H new ATOM 0 HG3 GLU A 94 -1.681 4.833 -7.479 1.00 3.01 H new ATOM 1353 N ILE A 95 -2.073 6.560 -2.082 1.00 21.54 N ATOM 1354 CA ILE A 95 -2.576 7.474 -1.058 1.00 70.53 C ATOM 1355 C ILE A 95 -1.705 8.738 -1.155 1.00 53.32 C ATOM 1356 O ILE A 95 -0.568 8.719 -0.676 1.00 5.05 O ATOM 1357 CB ILE A 95 -2.526 6.853 0.375 1.00 73.21 C ATOM 1358 CG1 ILE A 95 -3.414 5.607 0.550 1.00 12.14 C ATOM 1359 CG2 ILE A 95 -2.986 7.808 1.495 1.00 21.21 C ATOM 1360 CD1 ILE A 95 -2.770 4.341 0.015 1.00 30.42 C ATOM 0 H ILE A 95 -1.079 6.360 -1.973 1.00 21.54 H new ATOM 0 HA ILE A 95 -3.629 7.698 -1.230 1.00 70.53 H new ATOM 0 HB ILE A 95 -1.467 6.611 0.465 1.00 73.21 H new ATOM 0 HG12 ILE A 95 -3.640 5.474 1.608 1.00 12.14 H new ATOM 0 HG13 ILE A 95 -4.363 5.769 0.039 1.00 12.14 H new ATOM 0 HG21 ILE A 95 -2.921 7.299 2.457 1.00 21.21 H new ATOM 0 HG22 ILE A 95 -2.346 8.690 1.507 1.00 21.21 H new ATOM 0 HG23 ILE A 95 -4.017 8.111 1.314 1.00 21.21 H new ATOM 0 HD11 ILE A 95 -3.444 3.498 0.167 1.00 30.42 H new ATOM 0 HD12 ILE A 95 -2.569 4.457 -1.050 1.00 30.42 H new ATOM 0 HD13 ILE A 95 -1.834 4.158 0.543 1.00 30.42 H new ATOM 1371 N GLU A 96 -2.175 9.829 -1.777 1.00 53.42 N ATOM 1372 CA GLU A 96 -1.571 11.147 -1.546 1.00 74.04 C ATOM 1373 C GLU A 96 -2.231 11.694 -0.285 1.00 3.33 C ATOM 1374 O GLU A 96 -3.457 11.856 -0.286 1.00 45.50 O ATOM 1375 CB GLU A 96 -1.811 12.134 -2.707 1.00 22.34 C ATOM 1376 CG GLU A 96 -0.830 11.954 -3.879 1.00 12.21 C ATOM 1377 CD GLU A 96 -0.884 13.061 -4.951 1.00 42.54 C ATOM 1378 OE1 GLU A 96 -1.527 14.115 -4.725 1.00 24.42 O ATOM 1379 OE2 GLU A 96 -0.248 12.882 -6.020 1.00 41.42 O ATOM 0 H GLU A 96 -2.957 9.826 -2.432 1.00 53.42 H new ATOM 0 HA GLU A 96 -0.490 11.038 -1.456 1.00 74.04 H new ATOM 0 HB2 GLU A 96 -2.830 12.010 -3.074 1.00 22.34 H new ATOM 0 HB3 GLU A 96 -1.730 13.153 -2.329 1.00 22.34 H new ATOM 0 HG2 GLU A 96 0.183 11.904 -3.480 1.00 12.21 H new ATOM 0 HG3 GLU A 96 -1.031 10.996 -4.358 1.00 12.21 H new ATOM 1384 N ASP A 97 -1.474 11.972 0.779 1.00 21.31 N ATOM 1385 CA ASP A 97 -2.013 12.588 1.980 1.00 71.11 C ATOM 1386 C ASP A 97 -1.230 13.860 2.344 1.00 24.41 C ATOM 1387 O ASP A 97 -0.112 14.111 1.879 1.00 71.34 O ATOM 1388 CB ASP A 97 -2.063 11.557 3.112 1.00 44.31 C ATOM 1389 CG ASP A 97 -2.524 12.245 4.388 1.00 31.32 C ATOM 1390 OD1 ASP A 97 -3.642 12.794 4.396 1.00 10.01 O ATOM 1391 OD2 ASP A 97 -1.674 12.399 5.282 1.00 72.10 O ATOM 0 H ASP A 97 -0.474 11.775 0.826 1.00 21.31 H new ATOM 0 HA ASP A 97 -3.037 12.914 1.799 1.00 71.11 H new ATOM 0 HB2 ASP A 97 -2.745 10.747 2.854 1.00 44.31 H new ATOM 0 HB3 ASP A 97 -1.079 11.111 3.259 1.00 44.31 H new ATOM 1395 N ARG A 98 -1.865 14.713 3.145 1.00 62.14 N ATOM 1396 CA ARG A 98 -1.428 16.065 3.473 1.00 5.41 C ATOM 1397 C ARG A 98 -0.622 16.101 4.764 1.00 51.12 C ATOM 1398 O ARG A 98 0.039 17.102 5.020 1.00 61.41 O ATOM 1399 CB ARG A 98 -2.671 16.965 3.560 1.00 34.32 C ATOM 1400 CG ARG A 98 -3.391 17.064 2.203 1.00 25.45 C ATOM 1401 CD ARG A 98 -2.963 18.314 1.419 1.00 33.35 C ATOM 1402 NE ARG A 98 -3.174 18.175 -0.035 1.00 33.12 N ATOM 1403 CZ ARG A 98 -2.514 18.848 -0.989 1.00 2.45 C ATOM 1404 NH1 ARG A 98 -1.583 19.744 -0.687 1.00 30.15 N ATOM 1405 NH2 ARG A 98 -2.738 18.596 -2.270 1.00 11.34 N ATOM 0 H ARG A 98 -2.741 14.466 3.605 1.00 62.14 H new ATOM 0 HA ARG A 98 -0.762 16.431 2.691 1.00 5.41 H new ATOM 0 HB2 ARG A 98 -3.357 16.569 4.309 1.00 34.32 H new ATOM 0 HB3 ARG A 98 -2.378 17.961 3.891 1.00 34.32 H new ATOM 0 HG2 ARG A 98 -3.177 16.173 1.612 1.00 25.45 H new ATOM 0 HG3 ARG A 98 -4.469 17.088 2.364 1.00 25.45 H new ATOM 0 HD2 ARG A 98 -3.523 19.175 1.783 1.00 33.35 H new ATOM 0 HD3 ARG A 98 -1.909 18.515 1.611 1.00 33.35 H new ATOM 0 HE ARG A 98 -3.884 17.509 -0.341 1.00 33.12 H new ATOM 0 HH11 ARG A 98 -1.355 19.934 0.289 1.00 30.15 H new ATOM 0 HH12 ARG A 98 -1.095 20.243 -1.431 1.00 30.15 H new ATOM 0 HH21 ARG A 98 -3.418 17.885 -2.539 1.00 11.34 H new ATOM 0 HH22 ARG A 98 -2.231 19.113 -2.988 1.00 11.34 H new ATOM 1416 N ASP A 99 -0.616 15.012 5.525 1.00 41.10 N ATOM 1417 CA ASP A 99 0.195 14.820 6.731 1.00 24.04 C ATOM 1418 C ASP A 99 0.916 13.459 6.722 1.00 11.44 C ATOM 1419 O ASP A 99 1.226 12.884 7.766 1.00 54.13 O ATOM 1420 CB ASP A 99 -0.637 15.050 8.002 1.00 34.01 C ATOM 1421 CG ASP A 99 0.255 15.118 9.248 1.00 22.45 C ATOM 1422 OD1 ASP A 99 1.401 15.619 9.170 1.00 53.42 O ATOM 1423 OD2 ASP A 99 -0.173 14.668 10.335 1.00 11.42 O ATOM 0 H ASP A 99 -1.199 14.203 5.313 1.00 41.10 H new ATOM 0 HA ASP A 99 0.980 15.576 6.733 1.00 24.04 H new ATOM 0 HB2 ASP A 99 -1.203 15.977 7.906 1.00 34.01 H new ATOM 0 HB3 ASP A 99 -1.362 14.244 8.115 1.00 34.01 H new ATOM 1427 N GLY A 100 1.214 12.922 5.533 1.00 31.31 N ATOM 1428 CA GLY A 100 2.000 11.701 5.400 1.00 33.13 C ATOM 1429 C GLY A 100 1.382 10.472 6.062 1.00 31.13 C ATOM 1430 O GLY A 100 2.119 9.639 6.595 1.00 31.43 O ATOM 0 H GLY A 100 0.917 13.323 4.644 1.00 31.31 H new ATOM 0 HA2 GLY A 100 2.146 11.492 4.340 1.00 33.13 H new ATOM 0 HA3 GLY A 100 2.987 11.871 5.830 1.00 33.13 H new ATOM 1434 N ARG A 101 0.055 10.347 6.063 1.00 31.51 N ATOM 1435 CA ARG A 101 -0.645 9.229 6.700 1.00 33.44 C ATOM 1436 C ARG A 101 -0.506 7.958 5.879 1.00 65.54 C ATOM 1437 O ARG A 101 0.162 7.906 4.849 1.00 43.20 O ATOM 1438 CB ARG A 101 -2.120 9.594 6.921 1.00 62.40 C ATOM 1439 CG ARG A 101 -2.246 10.644 8.023 1.00 4.13 C ATOM 1440 CD ARG A 101 -3.715 10.827 8.381 1.00 43.33 C ATOM 1441 NE ARG A 101 -3.816 11.709 9.547 1.00 12.32 N ATOM 1442 CZ ARG A 101 -4.887 11.922 10.308 1.00 3.22 C ATOM 1443 NH1 ARG A 101 -6.088 11.481 9.945 1.00 71.12 N ATOM 1444 NH2 ARG A 101 -4.725 12.580 11.445 1.00 31.11 N ATOM 0 H ARG A 101 -0.569 11.021 5.620 1.00 31.51 H new ATOM 0 HA ARG A 101 -0.188 9.037 7.671 1.00 33.44 H new ATOM 0 HB2 ARG A 101 -2.550 9.975 5.995 1.00 62.40 H new ATOM 0 HB3 ARG A 101 -2.686 8.703 7.192 1.00 62.40 H new ATOM 0 HG2 ARG A 101 -1.682 10.334 8.902 1.00 4.13 H new ATOM 0 HG3 ARG A 101 -1.821 11.591 7.689 1.00 4.13 H new ATOM 0 HD2 ARG A 101 -4.258 11.254 7.538 1.00 43.33 H new ATOM 0 HD3 ARG A 101 -4.173 9.862 8.598 1.00 43.33 H new ATOM 0 HE ARG A 101 -2.970 12.217 9.804 1.00 12.32 H new ATOM 0 HH11 ARG A 101 -6.200 10.969 9.070 1.00 71.12 H new ATOM 0 HH12 ARG A 101 -6.897 11.654 10.542 1.00 71.12 H new ATOM 0 HH21 ARG A 101 -3.798 12.908 11.717 1.00 31.11 H new ATOM 0 HH22 ARG A 101 -5.527 12.759 12.050 1.00 31.11 H new ATOM 1455 N HIS A 102 -1.140 6.892 6.354 1.00 3.15 N ATOM 1456 CA HIS A 102 -1.306 5.655 5.606 1.00 13.42 C ATOM 1457 C HIS A 102 -2.767 5.218 5.588 1.00 2.42 C ATOM 1458 O HIS A 102 -3.158 4.502 4.673 1.00 13.41 O ATOM 1459 CB HIS A 102 -0.389 4.550 6.155 1.00 11.14 C ATOM 1460 CG HIS A 102 -0.255 4.485 7.662 1.00 4.02 C ATOM 1461 ND1 HIS A 102 -0.832 3.572 8.522 1.00 50.44 N ATOM 1462 CD2 HIS A 102 0.509 5.333 8.418 1.00 24.24 C ATOM 1463 CE1 HIS A 102 -0.431 3.882 9.767 1.00 74.43 C ATOM 1464 NE2 HIS A 102 0.382 4.953 9.756 1.00 64.44 N ATOM 0 H HIS A 102 -1.559 6.864 7.284 1.00 3.15 H new ATOM 0 HA HIS A 102 -1.009 5.841 4.574 1.00 13.42 H new ATOM 0 HB2 HIS A 102 -0.761 3.588 5.802 1.00 11.14 H new ATOM 0 HB3 HIS A 102 0.605 4.684 5.727 1.00 11.14 H new ATOM 0 HD2 HIS A 102 1.106 6.152 8.045 1.00 24.24 H new ATOM 0 HE1 HIS A 102 -0.723 3.343 10.656 1.00 74.43 H new ATOM 0 HE2 HIS A 102 0.818 5.399 10.563 1.00 64.44 H new ATOM 1471 N PHE A 103 -3.580 5.626 6.570 1.00 72.11 N ATOM 1472 CA PHE A 103 -4.988 5.253 6.753 1.00 52.41 C ATOM 1473 C PHE A 103 -5.232 3.734 6.923 1.00 41.02 C ATOM 1474 O PHE A 103 -6.341 3.317 7.267 1.00 21.41 O ATOM 1475 CB PHE A 103 -5.849 5.939 5.670 1.00 61.53 C ATOM 1476 CG PHE A 103 -6.074 7.428 5.903 1.00 44.03 C ATOM 1477 CD1 PHE A 103 -7.174 7.847 6.677 1.00 24.31 C ATOM 1478 CD2 PHE A 103 -5.214 8.402 5.353 1.00 65.54 C ATOM 1479 CE1 PHE A 103 -7.409 9.213 6.912 1.00 23.54 C ATOM 1480 CE2 PHE A 103 -5.476 9.769 5.552 1.00 30.31 C ATOM 1481 CZ PHE A 103 -6.564 10.177 6.339 1.00 74.13 C ATOM 0 H PHE A 103 -3.255 6.261 7.299 1.00 72.11 H new ATOM 0 HA PHE A 103 -5.317 5.635 7.719 1.00 52.41 H new ATOM 0 HB2 PHE A 103 -5.370 5.802 4.700 1.00 61.53 H new ATOM 0 HB3 PHE A 103 -6.817 5.440 5.621 1.00 61.53 H new ATOM 0 HD1 PHE A 103 -7.844 7.110 7.095 1.00 24.31 H new ATOM 0 HD2 PHE A 103 -4.352 8.097 4.778 1.00 65.54 H new ATOM 0 HE1 PHE A 103 -8.238 9.520 7.532 1.00 23.54 H new ATOM 0 HE2 PHE A 103 -4.836 10.510 5.096 1.00 30.31 H new ATOM 0 HZ PHE A 103 -6.751 11.228 6.503 1.00 74.13 H new ATOM 1490 N LEU A 104 -4.199 2.900 6.774 1.00 24.33 N ATOM 1491 CA LEU A 104 -4.179 1.461 7.025 1.00 61.10 C ATOM 1492 C LEU A 104 -4.439 1.180 8.505 1.00 14.45 C ATOM 1493 O LEU A 104 -3.931 1.905 9.362 1.00 21.33 O ATOM 1494 CB LEU A 104 -2.779 0.901 6.724 1.00 34.31 C ATOM 1495 CG LEU A 104 -2.213 1.097 5.309 1.00 12.22 C ATOM 1496 CD1 LEU A 104 -0.693 0.897 5.325 1.00 5.01 C ATOM 1497 CD2 LEU A 104 -2.871 0.139 4.319 1.00 25.31 C ATOM 0 H LEU A 104 -3.292 3.239 6.452 1.00 24.33 H new ATOM 0 HA LEU A 104 -4.941 1.003 6.395 1.00 61.10 H new ATOM 0 HB2 LEU A 104 -2.080 1.352 7.429 1.00 34.31 H new ATOM 0 HB3 LEU A 104 -2.795 -0.169 6.932 1.00 34.31 H new ATOM 0 HG LEU A 104 -2.434 2.114 4.984 1.00 12.22 H new ATOM 0 HD11 LEU A 104 -0.297 1.037 4.319 1.00 5.01 H new ATOM 0 HD12 LEU A 104 -0.238 1.623 5.999 1.00 5.01 H new ATOM 0 HD13 LEU A 104 -0.462 -0.111 5.669 1.00 5.01 H new ATOM 0 HD21 LEU A 104 -2.452 0.299 3.325 1.00 25.31 H new ATOM 0 HD22 LEU A 104 -2.686 -0.889 4.630 1.00 25.31 H new ATOM 0 HD23 LEU A 104 -3.945 0.323 4.294 1.00 25.31 H new ATOM 1508 N THR A 105 -5.139 0.090 8.810 1.00 5.42 N ATOM 1509 CA THR A 105 -5.384 -0.369 10.176 1.00 42.44 C ATOM 1510 C THR A 105 -4.151 -1.108 10.749 1.00 42.04 C ATOM 1511 O THR A 105 -3.890 -1.048 11.952 1.00 72.31 O ATOM 1512 CB THR A 105 -6.666 -1.239 10.131 1.00 51.03 C ATOM 1513 OG1 THR A 105 -7.306 -1.430 11.370 1.00 11.15 O ATOM 1514 CG2 THR A 105 -6.430 -2.650 9.595 1.00 45.12 C ATOM 0 H THR A 105 -5.560 -0.511 8.101 1.00 5.42 H new ATOM 0 HA THR A 105 -5.542 0.466 10.859 1.00 42.44 H new ATOM 0 HB THR A 105 -7.294 -0.646 9.466 1.00 51.03 H new ATOM 0 HG1 THR A 105 -8.102 -1.987 11.244 1.00 11.15 H new ATOM 0 HG21 THR A 105 -7.371 -3.200 9.593 1.00 45.12 H new ATOM 0 HG22 THR A 105 -6.040 -2.593 8.579 1.00 45.12 H new ATOM 0 HG23 THR A 105 -5.710 -3.165 10.231 1.00 45.12 H new ATOM 1522 N GLU A 106 -3.412 -1.801 9.877 1.00 42.10 N ATOM 1523 CA GLU A 106 -2.481 -2.913 10.106 1.00 30.43 C ATOM 1524 C GLU A 106 -1.165 -2.520 10.806 1.00 33.52 C ATOM 1525 O GLU A 106 -0.845 -1.328 10.868 1.00 25.21 O ATOM 1526 CB GLU A 106 -2.146 -3.492 8.723 1.00 2.34 C ATOM 1527 CG GLU A 106 -3.298 -4.231 8.041 1.00 53.34 C ATOM 1528 CD GLU A 106 -3.617 -5.582 8.680 1.00 32.11 C ATOM 1529 OE1 GLU A 106 -2.920 -6.566 8.351 1.00 33.51 O ATOM 1530 OE2 GLU A 106 -4.613 -5.657 9.439 1.00 23.21 O ATOM 0 H GLU A 106 -3.456 -1.572 8.884 1.00 42.10 H new ATOM 0 HA GLU A 106 -2.968 -3.621 10.777 1.00 30.43 H new ATOM 0 HB2 GLU A 106 -1.819 -2.680 8.074 1.00 2.34 H new ATOM 0 HB3 GLU A 106 -1.304 -4.176 8.825 1.00 2.34 H new ATOM 0 HG2 GLU A 106 -4.189 -3.604 8.070 1.00 53.34 H new ATOM 0 HG3 GLU A 106 -3.050 -4.384 6.991 1.00 53.34 H new ATOM 1535 N PRO A 107 -0.372 -3.492 11.304 1.00 21.53 N ATOM 1536 CA PRO A 107 1.034 -3.272 11.636 1.00 72.42 C ATOM 1537 C PRO A 107 1.851 -2.957 10.376 1.00 65.14 C ATOM 1538 O PRO A 107 1.738 -3.642 9.353 1.00 43.04 O ATOM 1539 CB PRO A 107 1.515 -4.576 12.283 1.00 54.44 C ATOM 1540 CG PRO A 107 0.628 -5.635 11.636 1.00 30.12 C ATOM 1541 CD PRO A 107 -0.704 -4.902 11.472 1.00 25.21 C ATOM 0 HA PRO A 107 1.158 -2.421 12.306 1.00 72.42 H new ATOM 0 HB2 PRO A 107 2.571 -4.759 12.083 1.00 54.44 H new ATOM 0 HB3 PRO A 107 1.394 -4.557 13.366 1.00 54.44 H new ATOM 0 HG2 PRO A 107 1.028 -5.968 10.678 1.00 30.12 H new ATOM 0 HG3 PRO A 107 0.529 -6.520 12.265 1.00 30.12 H new ATOM 0 HD2 PRO A 107 -1.252 -5.279 10.609 1.00 25.21 H new ATOM 0 HD3 PRO A 107 -1.341 -5.051 12.344 1.00 25.21 H new ATOM 1546 N VAL A 108 2.699 -1.936 10.460 1.00 31.33 N ATOM 1547 CA VAL A 108 3.584 -1.493 9.399 1.00 74.34 C ATOM 1548 C VAL A 108 4.957 -1.160 9.990 1.00 13.04 C ATOM 1549 O VAL A 108 5.068 -0.310 10.876 1.00 43.11 O ATOM 1550 CB VAL A 108 2.891 -0.363 8.614 1.00 23.25 C ATOM 1551 CG1 VAL A 108 2.275 0.753 9.458 1.00 5.15 C ATOM 1552 CG2 VAL A 108 3.783 0.237 7.525 1.00 10.15 C ATOM 0 H VAL A 108 2.788 -1.374 11.307 1.00 31.33 H new ATOM 0 HA VAL A 108 3.781 -2.274 8.664 1.00 74.34 H new ATOM 0 HB VAL A 108 2.052 -0.880 8.148 1.00 23.25 H new ATOM 0 HG11 VAL A 108 1.815 1.493 8.803 1.00 5.15 H new ATOM 0 HG12 VAL A 108 1.517 0.333 10.119 1.00 5.15 H new ATOM 0 HG13 VAL A 108 3.053 1.230 10.054 1.00 5.15 H new ATOM 0 HG21 VAL A 108 3.241 1.028 7.006 1.00 10.15 H new ATOM 0 HG22 VAL A 108 4.683 0.651 7.979 1.00 10.15 H new ATOM 0 HG23 VAL A 108 4.061 -0.540 6.813 1.00 10.15 H new ATOM 1562 N GLU A 109 5.993 -1.870 9.540 1.00 71.40 N ATOM 1563 CA GLU A 109 7.390 -1.723 9.927 1.00 53.00 C ATOM 1564 C GLU A 109 7.888 -0.317 9.574 1.00 11.04 C ATOM 1565 O GLU A 109 7.270 0.409 8.790 1.00 14.15 O ATOM 1566 CB GLU A 109 8.209 -2.779 9.162 1.00 34.11 C ATOM 1567 CG GLU A 109 8.215 -4.193 9.763 1.00 61.13 C ATOM 1568 CD GLU A 109 9.526 -4.544 10.487 1.00 20.25 C ATOM 1569 OE1 GLU A 109 10.526 -4.922 9.826 1.00 22.45 O ATOM 1570 OE2 GLU A 109 9.560 -4.534 11.737 1.00 71.51 O ATOM 0 H GLU A 109 5.866 -2.611 8.850 1.00 71.40 H new ATOM 0 HA GLU A 109 7.500 -1.864 11.002 1.00 53.00 H new ATOM 0 HB2 GLU A 109 7.825 -2.840 8.144 1.00 34.11 H new ATOM 0 HB3 GLU A 109 9.240 -2.431 9.093 1.00 34.11 H new ATOM 0 HG2 GLU A 109 7.386 -4.285 10.464 1.00 61.13 H new ATOM 0 HG3 GLU A 109 8.042 -4.918 8.968 1.00 61.13 H new ATOM 1575 N SER A 110 9.042 0.030 10.125 1.00 53.34 N ATOM 1576 CA SER A 110 9.740 1.294 9.948 1.00 22.21 C ATOM 1577 C SER A 110 11.239 1.034 9.953 1.00 41.20 C ATOM 1578 O SER A 110 11.754 0.529 10.974 1.00 53.24 O ATOM 1579 CB SER A 110 9.361 2.233 11.103 1.00 21.23 C ATOM 1580 OG SER A 110 8.004 2.617 11.002 1.00 73.23 O ATOM 0 H SER A 110 9.547 -0.603 10.746 1.00 53.34 H new ATOM 0 HA SER A 110 9.461 1.757 9.001 1.00 22.21 H new ATOM 0 HB2 SER A 110 9.534 1.735 12.057 1.00 21.23 H new ATOM 0 HB3 SER A 110 9.998 3.117 11.085 1.00 21.23 H new ATOM 0 HG SER A 110 7.777 3.214 11.745 1.00 73.23 H new