USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.72) USER MOD Set 1.2: A 102 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.31 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.024) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -1.32 (180deg=-2.02) USER MOD Single : A 68 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.43) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 85:sc= -5.84! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -42:sc= 0.222 USER MOD Single : A 99 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.4) USER MOD Single : A 100 SER OG : rot 86:sc= 1.01 USER MOD Single : A 105 SER OG : rot -44:sc= 1.02 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0.0218 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -9.437 9.440 2.632 1.00 32.13 N ATOM 70 CA PHE A 6 -9.765 8.456 3.658 1.00 63.11 C ATOM 71 C PHE A 6 -8.744 7.322 3.669 1.00 63.11 C ATOM 72 O PHE A 6 -8.531 6.675 4.694 1.00 22.11 O ATOM 73 CB PHE A 6 -11.168 7.891 3.425 1.00 61.25 C ATOM 74 CG PHE A 6 -11.848 7.438 4.685 1.00 72.33 C ATOM 75 CD1 PHE A 6 -11.631 6.164 5.184 1.00 1.21 C ATOM 76 CD2 PHE A 6 -12.705 8.285 5.368 1.00 55.43 C ATOM 77 CE1 PHE A 6 -12.255 5.743 6.343 1.00 51.10 C ATOM 78 CE2 PHE A 6 -13.332 7.870 6.528 1.00 23.31 C ATOM 79 CZ PHE A 6 -13.108 6.597 7.015 1.00 41.23 C ATOM 0 HA PHE A 6 -9.739 8.956 4.626 1.00 63.11 H new ATOM 0 HB2 PHE A 6 -11.782 8.652 2.943 1.00 61.25 H new ATOM 0 HB3 PHE A 6 -11.102 7.050 2.734 1.00 61.25 H new ATOM 0 HD1 PHE A 6 -10.966 5.492 4.661 1.00 1.21 H new ATOM 0 HD2 PHE A 6 -12.885 9.281 4.990 1.00 55.43 H new ATOM 0 HE1 PHE A 6 -12.076 4.748 6.723 1.00 51.10 H new ATOM 0 HE2 PHE A 6 -13.996 8.540 7.053 1.00 23.31 H new ATOM 0 HZ PHE A 6 -13.599 6.270 7.920 1.00 41.23 H new ATOM 88 N TRP A 7 -8.115 7.089 2.523 1.00 61.53 N ATOM 89 CA TRP A 7 -7.116 6.033 2.400 1.00 20.04 C ATOM 90 C TRP A 7 -5.711 6.584 2.617 1.00 50.52 C ATOM 91 O TRP A 7 -4.736 5.833 2.637 1.00 1.30 O ATOM 92 CB TRP A 7 -7.211 5.371 1.024 1.00 30.22 C ATOM 93 CG TRP A 7 -8.471 4.584 0.829 1.00 32.54 C ATOM 94 CD1 TRP A 7 -9.542 4.931 0.056 1.00 41.21 C ATOM 95 CD2 TRP A 7 -8.792 3.318 1.418 1.00 43.34 C ATOM 96 NE1 TRP A 7 -10.510 3.958 0.130 1.00 34.43 N ATOM 97 CE2 TRP A 7 -10.073 2.958 0.957 1.00 10.35 C ATOM 98 CE3 TRP A 7 -8.120 2.455 2.287 1.00 44.30 C ATOM 99 CZ2 TRP A 7 -10.694 1.772 1.340 1.00 23.41 C ATOM 100 CZ3 TRP A 7 -8.738 1.278 2.666 1.00 3.31 C ATOM 101 CH2 TRP A 7 -10.013 0.945 2.192 1.00 10.51 C ATOM 0 H TRP A 7 -8.279 7.617 1.666 1.00 61.53 H new ATOM 0 HA TRP A 7 -7.316 5.287 3.169 1.00 20.04 H new ATOM 0 HB2 TRP A 7 -7.149 6.140 0.254 1.00 30.22 H new ATOM 0 HB3 TRP A 7 -6.354 4.711 0.886 1.00 30.22 H new ATOM 0 HD1 TRP A 7 -9.617 5.837 -0.528 1.00 41.21 H new ATOM 0 HE1 TRP A 7 -11.408 3.978 -0.353 1.00 34.43 H new ATOM 0 HE3 TRP A 7 -7.136 2.703 2.656 1.00 44.30 H new ATOM 0 HZ2 TRP A 7 -11.678 1.514 0.978 1.00 23.41 H new ATOM 0 HZ3 TRP A 7 -8.229 0.604 3.339 1.00 3.31 H new ATOM 0 HH2 TRP A 7 -10.468 0.017 2.505 1.00 10.51 H new ATOM 111 N TYR A 8 -5.616 7.899 2.779 1.00 24.02 N ATOM 112 CA TYR A 8 -4.329 8.551 2.993 1.00 63.02 C ATOM 113 C TYR A 8 -4.243 9.139 4.399 1.00 20.42 C ATOM 114 O TYR A 8 -4.919 10.116 4.719 1.00 23.34 O ATOM 115 CB TYR A 8 -4.113 9.652 1.954 1.00 71.31 C ATOM 116 CG TYR A 8 -2.865 10.473 2.191 1.00 20.23 C ATOM 117 CD1 TYR A 8 -1.639 10.075 1.671 1.00 31.23 C ATOM 118 CD2 TYR A 8 -2.911 11.644 2.937 1.00 60.41 C ATOM 119 CE1 TYR A 8 -0.497 10.820 1.887 1.00 64.43 C ATOM 120 CE2 TYR A 8 -1.773 12.396 3.155 1.00 42.33 C ATOM 121 CZ TYR A 8 -0.569 11.981 2.628 1.00 4.13 C ATOM 122 OH TYR A 8 0.568 12.727 2.846 1.00 14.21 O ATOM 0 H TYR A 8 -6.414 8.534 2.766 1.00 24.02 H new ATOM 0 HA TYR A 8 -3.547 7.799 2.885 1.00 63.02 H new ATOM 0 HB2 TYR A 8 -4.057 9.200 0.964 1.00 71.31 H new ATOM 0 HB3 TYR A 8 -4.979 10.314 1.954 1.00 71.31 H new ATOM 0 HD1 TYR A 8 -1.579 9.168 1.088 1.00 31.23 H new ATOM 0 HD2 TYR A 8 -3.852 11.972 3.353 1.00 60.41 H new ATOM 0 HE1 TYR A 8 0.448 10.495 1.478 1.00 64.43 H new ATOM 0 HE2 TYR A 8 -1.826 13.305 3.736 1.00 42.33 H new ATOM 0 HH TYR A 8 0.344 13.514 3.385 1.00 14.21 H new ATOM 131 N LYS A 9 -3.404 8.535 5.234 1.00 4.32 N ATOM 132 CA LYS A 9 -3.225 8.997 6.605 1.00 2.31 C ATOM 133 C LYS A 9 -1.758 8.925 7.017 1.00 33.02 C ATOM 134 O LYS A 9 -1.188 7.846 7.183 1.00 64.20 O ATOM 135 CB LYS A 9 -4.076 8.160 7.563 1.00 21.34 C ATOM 136 CG LYS A 9 -5.566 8.436 7.454 1.00 60.44 C ATOM 137 CD LYS A 9 -5.994 9.558 8.386 1.00 32.31 C ATOM 138 CE LYS A 9 -7.264 9.199 9.142 1.00 74.05 C ATOM 139 NZ LYS A 9 -8.277 10.288 9.072 1.00 12.42 N ATOM 0 H LYS A 9 -2.837 7.724 4.985 1.00 4.32 H new ATOM 0 HA LYS A 9 -3.548 10.037 6.656 1.00 2.31 H new ATOM 0 HB2 LYS A 9 -3.896 7.103 7.367 1.00 21.34 H new ATOM 0 HB3 LYS A 9 -3.753 8.354 8.586 1.00 21.34 H new ATOM 0 HG2 LYS A 9 -5.814 8.701 6.426 1.00 60.44 H new ATOM 0 HG3 LYS A 9 -6.123 7.530 7.693 1.00 60.44 H new ATOM 0 HD2 LYS A 9 -5.194 9.768 9.096 1.00 32.31 H new ATOM 0 HD3 LYS A 9 -6.157 10.469 7.810 1.00 32.31 H new ATOM 0 HE2 LYS A 9 -7.686 8.283 8.729 1.00 74.05 H new ATOM 0 HE3 LYS A 9 -7.021 8.996 10.185 1.00 74.05 H new ATOM 0 HZ1 LYS A 9 -9.128 10.005 9.599 1.00 12.42 H new ATOM 0 HZ2 LYS A 9 -7.884 11.156 9.489 1.00 12.42 H new ATOM 0 HZ3 LYS A 9 -8.528 10.465 8.078 1.00 12.42 H new ATOM 149 N PRO A 10 -1.131 10.098 7.187 1.00 14.11 N ATOM 150 CA PRO A 10 0.276 10.194 7.583 1.00 22.42 C ATOM 151 C PRO A 10 0.504 9.752 9.025 1.00 61.23 C ATOM 152 O PRO A 10 1.526 9.142 9.344 1.00 52.31 O ATOM 153 CB PRO A 10 0.589 11.684 7.425 1.00 34.30 C ATOM 154 CG PRO A 10 -0.727 12.366 7.577 1.00 31.32 C ATOM 155 CD PRO A 10 -1.750 11.422 7.007 1.00 75.54 C ATOM 0 HA PRO A 10 0.913 9.545 6.982 1.00 22.42 H new ATOM 0 HB2 PRO A 10 1.299 12.021 8.180 1.00 34.30 H new ATOM 0 HB3 PRO A 10 1.034 11.894 6.452 1.00 34.30 H new ATOM 0 HG2 PRO A 10 -0.936 12.582 8.625 1.00 31.32 H new ATOM 0 HG3 PRO A 10 -0.737 13.318 7.047 1.00 31.32 H new ATOM 0 HD2 PRO A 10 -2.702 11.495 7.533 1.00 75.54 H new ATOM 0 HD3 PRO A 10 -1.950 11.633 5.956 1.00 75.54 H new ATOM 160 N HIS A 11 -0.453 10.062 9.893 1.00 43.44 N ATOM 161 CA HIS A 11 -0.357 9.696 11.301 1.00 14.11 C ATOM 162 C HIS A 11 -0.648 8.211 11.498 1.00 73.04 C ATOM 163 O HIS A 11 -0.202 7.604 12.471 1.00 2.25 O ATOM 164 CB HIS A 11 -1.328 10.533 12.135 1.00 51.22 C ATOM 165 CG HIS A 11 -0.807 11.896 12.471 1.00 10.54 C ATOM 166 ND1 HIS A 11 -1.490 13.057 12.174 1.00 64.33 N ATOM 167 CD2 HIS A 11 0.336 12.281 13.086 1.00 54.24 C ATOM 168 CE1 HIS A 11 -0.788 14.096 12.589 1.00 64.15 C ATOM 169 NE2 HIS A 11 0.325 13.653 13.146 1.00 35.12 N ATOM 0 H HIS A 11 -1.305 10.566 9.646 1.00 43.44 H new ATOM 0 HA HIS A 11 0.662 9.896 11.634 1.00 14.11 H new ATOM 0 HB2 HIS A 11 -2.267 10.636 11.590 1.00 51.22 H new ATOM 0 HB3 HIS A 11 -1.552 10.001 13.059 1.00 51.22 H new ATOM 0 HD2 HIS A 11 1.112 11.630 13.460 1.00 54.24 H new ATOM 0 HE1 HIS A 11 -1.075 15.132 12.490 1.00 64.15 H new ATOM 0 HE2 HIS A 11 1.057 14.235 13.554 1.00 35.12 H new ATOM 176 N LEU A 12 -1.399 7.633 10.566 1.00 50.42 N ATOM 177 CA LEU A 12 -1.751 6.219 10.637 1.00 51.21 C ATOM 178 C LEU A 12 -0.500 5.351 10.726 1.00 12.45 C ATOM 179 O LEU A 12 0.439 5.516 9.948 1.00 65.21 O ATOM 180 CB LEU A 12 -2.579 5.817 9.415 1.00 4.13 C ATOM 181 CG LEU A 12 -3.018 4.354 9.353 1.00 45.20 C ATOM 182 CD1 LEU A 12 -4.494 4.254 9.005 1.00 74.04 C ATOM 183 CD2 LEU A 12 -2.177 3.587 8.344 1.00 62.42 C ATOM 0 H LEU A 12 -1.775 8.121 9.753 1.00 50.42 H new ATOM 0 HA LEU A 12 -2.345 6.062 11.538 1.00 51.21 H new ATOM 0 HB2 LEU A 12 -3.470 6.444 9.382 1.00 4.13 H new ATOM 0 HB3 LEU A 12 -1.999 6.040 8.519 1.00 4.13 H new ATOM 0 HG LEU A 12 -2.867 3.908 10.336 1.00 45.20 H new ATOM 0 HD11 LEU A 12 -4.788 3.205 8.965 1.00 74.04 H new ATOM 0 HD12 LEU A 12 -5.083 4.768 9.765 1.00 74.04 H new ATOM 0 HD13 LEU A 12 -4.671 4.717 8.034 1.00 74.04 H new ATOM 0 HD21 LEU A 12 -2.504 2.548 8.313 1.00 62.42 H new ATOM 0 HD22 LEU A 12 -2.296 4.034 7.357 1.00 62.42 H new ATOM 0 HD23 LEU A 12 -1.128 3.629 8.638 1.00 62.42 H new ATOM 194 N SER A 13 -0.497 4.422 11.678 1.00 63.25 N ATOM 195 CA SER A 13 0.639 3.528 11.870 1.00 43.23 C ATOM 196 C SER A 13 0.482 2.263 11.033 1.00 73.12 C ATOM 197 O SER A 13 -0.599 1.978 10.516 1.00 72.21 O ATOM 198 CB SER A 13 0.783 3.162 13.348 1.00 3.43 C ATOM 199 OG SER A 13 1.784 2.176 13.534 1.00 73.21 O ATOM 0 H SER A 13 -1.268 4.269 12.328 1.00 63.25 H new ATOM 0 HA SER A 13 1.539 4.049 11.543 1.00 43.23 H new ATOM 0 HB2 SER A 13 1.034 4.053 13.924 1.00 3.43 H new ATOM 0 HB3 SER A 13 -0.170 2.794 13.729 1.00 3.43 H new ATOM 0 HG SER A 13 1.858 1.961 14.487 1.00 73.21 H new ATOM 204 N ARG A 14 1.568 1.507 10.905 1.00 52.33 N ATOM 205 CA ARG A 14 1.551 0.272 10.130 1.00 21.42 C ATOM 206 C ARG A 14 0.445 -0.660 10.616 1.00 64.30 C ATOM 207 O ARG A 14 -0.355 -1.158 9.822 1.00 3.01 O ATOM 208 CB ARG A 14 2.905 -0.434 10.226 1.00 42.33 C ATOM 209 CG ARG A 14 2.928 -1.801 9.564 1.00 13.03 C ATOM 210 CD ARG A 14 2.826 -2.918 10.591 1.00 22.54 C ATOM 211 NE ARG A 14 3.947 -2.905 11.527 1.00 63.21 N ATOM 212 CZ ARG A 14 5.163 -3.345 11.223 1.00 22.21 C ATOM 213 NH1 ARG A 14 5.414 -3.829 10.014 1.00 43.33 N ATOM 214 NH2 ARG A 14 6.132 -3.300 12.129 1.00 1.13 N ATOM 0 H ARG A 14 2.470 1.728 11.328 1.00 52.33 H new ATOM 0 HA ARG A 14 1.355 0.529 9.089 1.00 21.42 H new ATOM 0 HB2 ARG A 14 3.667 0.196 9.766 1.00 42.33 H new ATOM 0 HB3 ARG A 14 3.174 -0.544 11.277 1.00 42.33 H new ATOM 0 HG2 ARG A 14 2.102 -1.878 8.857 1.00 13.03 H new ATOM 0 HG3 ARG A 14 3.849 -1.914 8.992 1.00 13.03 H new ATOM 0 HD2 ARG A 14 1.892 -2.818 11.143 1.00 22.54 H new ATOM 0 HD3 ARG A 14 2.793 -3.880 10.079 1.00 22.54 H new ATOM 0 HE ARG A 14 3.788 -2.538 12.465 1.00 63.21 H new ATOM 0 HH11 ARG A 14 4.672 -3.864 9.315 1.00 43.33 H new ATOM 0 HH12 ARG A 14 6.349 -4.166 9.784 1.00 43.33 H new ATOM 0 HH21 ARG A 14 5.943 -2.927 13.060 1.00 1.13 H new ATOM 0 HH22 ARG A 14 7.065 -3.638 11.895 1.00 1.13 H new ATOM 225 N ASP A 15 0.406 -0.892 11.923 1.00 33.45 N ATOM 226 CA ASP A 15 -0.602 -1.764 12.516 1.00 60.31 C ATOM 227 C ASP A 15 -2.006 -1.323 12.113 1.00 20.02 C ATOM 228 O ASP A 15 -2.856 -2.151 11.785 1.00 31.44 O ATOM 229 CB ASP A 15 -0.473 -1.767 14.039 1.00 5.15 C ATOM 230 CG ASP A 15 -1.586 -2.544 14.713 1.00 0.41 C ATOM 231 OD1 ASP A 15 -2.019 -3.570 14.149 1.00 31.04 O ATOM 232 OD2 ASP A 15 -2.027 -2.124 15.805 1.00 50.00 O ATOM 0 H ASP A 15 1.061 -0.488 12.593 1.00 33.45 H new ATOM 0 HA ASP A 15 -0.437 -2.775 12.144 1.00 60.31 H new ATOM 0 HB2 ASP A 15 0.488 -2.199 14.318 1.00 5.15 H new ATOM 0 HB3 ASP A 15 -0.479 -0.740 14.403 1.00 5.15 H new ATOM 236 N GLN A 16 -2.241 -0.015 12.141 1.00 33.34 N ATOM 237 CA GLN A 16 -3.543 0.534 11.780 1.00 31.55 C ATOM 238 C GLN A 16 -3.881 0.222 10.326 1.00 21.12 C ATOM 239 O GLN A 16 -5.026 -0.084 9.997 1.00 14.50 O ATOM 240 CB GLN A 16 -3.562 2.046 12.008 1.00 14.11 C ATOM 241 CG GLN A 16 -3.872 2.441 13.443 1.00 54.21 C ATOM 242 CD GLN A 16 -5.168 3.219 13.566 1.00 53.31 C ATOM 243 OE1 GLN A 16 -6.252 2.637 13.623 1.00 73.25 O ATOM 244 NE2 GLN A 16 -5.063 4.542 13.609 1.00 62.23 N ATOM 0 H GLN A 16 -1.548 0.683 12.410 1.00 33.34 H new ATOM 0 HA GLN A 16 -4.296 0.068 12.416 1.00 31.55 H new ATOM 0 HB2 GLN A 16 -2.593 2.460 11.727 1.00 14.11 H new ATOM 0 HB3 GLN A 16 -4.304 2.495 11.348 1.00 14.11 H new ATOM 0 HG2 GLN A 16 -3.931 1.543 14.058 1.00 54.21 H new ATOM 0 HG3 GLN A 16 -3.052 3.043 13.836 1.00 54.21 H new ATOM 0 HE21 GLN A 16 -4.144 4.983 13.559 1.00 62.23 H new ATOM 0 HE22 GLN A 16 -5.901 5.118 13.692 1.00 62.23 H new ATOM 251 N ALA A 17 -2.877 0.304 9.459 1.00 25.54 N ATOM 252 CA ALA A 17 -3.067 0.029 8.040 1.00 12.33 C ATOM 253 C ALA A 17 -3.459 -1.427 7.811 1.00 53.40 C ATOM 254 O ALA A 17 -4.330 -1.724 6.992 1.00 61.33 O ATOM 255 CB ALA A 17 -1.804 0.366 7.263 1.00 41.13 C ATOM 0 H ALA A 17 -1.923 0.559 9.715 1.00 25.54 H new ATOM 0 HA ALA A 17 -3.881 0.658 7.679 1.00 12.33 H new ATOM 0 HB1 ALA A 17 -1.961 0.156 6.205 1.00 41.13 H new ATOM 0 HB2 ALA A 17 -1.569 1.422 7.392 1.00 41.13 H new ATOM 0 HB3 ALA A 17 -0.976 -0.238 7.634 1.00 41.13 H new ATOM 261 N ILE A 18 -2.811 -2.331 8.538 1.00 60.31 N ATOM 262 CA ILE A 18 -3.093 -3.755 8.413 1.00 32.23 C ATOM 263 C ILE A 18 -4.511 -4.078 8.872 1.00 23.11 C ATOM 264 O ILE A 18 -5.215 -4.865 8.241 1.00 42.34 O ATOM 265 CB ILE A 18 -2.096 -4.600 9.229 1.00 11.15 C ATOM 266 CG1 ILE A 18 -0.659 -4.259 8.830 1.00 63.43 C ATOM 267 CG2 ILE A 18 -2.370 -6.083 9.028 1.00 3.22 C ATOM 268 CD1 ILE A 18 -0.418 -4.311 7.338 1.00 32.25 C ATOM 0 H ILE A 18 -2.087 -2.102 9.219 1.00 60.31 H new ATOM 0 HA ILE A 18 -2.990 -4.005 7.357 1.00 32.23 H new ATOM 0 HB ILE A 18 -2.224 -4.367 10.286 1.00 11.15 H new ATOM 0 HG12 ILE A 18 -0.416 -3.261 9.194 1.00 63.43 H new ATOM 0 HG13 ILE A 18 0.021 -4.953 9.324 1.00 63.43 H new ATOM 0 HG21 ILE A 18 -1.658 -6.667 9.611 1.00 3.22 H new ATOM 0 HG22 ILE A 18 -3.383 -6.314 9.357 1.00 3.22 H new ATOM 0 HG23 ILE A 18 -2.266 -6.332 7.972 1.00 3.22 H new ATOM 0 HD11 ILE A 18 0.621 -4.058 7.128 1.00 32.25 H new ATOM 0 HD12 ILE A 18 -0.629 -5.315 6.970 1.00 32.25 H new ATOM 0 HD13 ILE A 18 -1.073 -3.597 6.839 1.00 32.25 H new ATOM 279 N ALA A 19 -4.923 -3.462 9.976 1.00 14.33 N ATOM 280 CA ALA A 19 -6.259 -3.681 10.518 1.00 42.43 C ATOM 281 C ALA A 19 -7.328 -3.119 9.588 1.00 73.42 C ATOM 282 O ALA A 19 -8.410 -3.691 9.451 1.00 43.32 O ATOM 283 CB ALA A 19 -6.377 -3.053 11.899 1.00 1.14 C ATOM 0 H ALA A 19 -4.352 -2.808 10.512 1.00 14.33 H new ATOM 0 HA ALA A 19 -6.417 -4.756 10.604 1.00 42.43 H new ATOM 0 HB1 ALA A 19 -7.379 -3.224 12.292 1.00 1.14 H new ATOM 0 HB2 ALA A 19 -5.643 -3.504 12.567 1.00 1.14 H new ATOM 0 HB3 ALA A 19 -6.193 -1.981 11.828 1.00 1.14 H new ATOM 289 N LEU A 20 -7.018 -1.997 8.948 1.00 44.52 N ATOM 290 CA LEU A 20 -7.953 -1.356 8.029 1.00 12.02 C ATOM 291 C LEU A 20 -8.073 -2.150 6.733 1.00 33.41 C ATOM 292 O LEU A 20 -9.128 -2.167 6.097 1.00 4.22 O ATOM 293 CB LEU A 20 -7.502 0.074 7.725 1.00 34.23 C ATOM 294 CG LEU A 20 -8.532 1.173 7.986 1.00 32.03 C ATOM 295 CD1 LEU A 20 -8.055 2.098 9.095 1.00 51.34 C ATOM 296 CD2 LEU A 20 -8.808 1.960 6.713 1.00 22.42 C ATOM 0 H LEU A 20 -6.126 -1.512 9.048 1.00 44.52 H new ATOM 0 HA LEU A 20 -8.932 -1.327 8.508 1.00 12.02 H new ATOM 0 HB2 LEU A 20 -6.614 0.288 8.320 1.00 34.23 H new ATOM 0 HB3 LEU A 20 -7.204 0.125 6.678 1.00 34.23 H new ATOM 0 HG LEU A 20 -9.462 0.704 8.307 1.00 32.03 H new ATOM 0 HD11 LEU A 20 -8.801 2.874 9.267 1.00 51.34 H new ATOM 0 HD12 LEU A 20 -7.910 1.524 10.010 1.00 51.34 H new ATOM 0 HD13 LEU A 20 -7.112 2.560 8.803 1.00 51.34 H new ATOM 0 HD21 LEU A 20 -9.544 2.738 6.918 1.00 22.42 H new ATOM 0 HD22 LEU A 20 -7.884 2.418 6.361 1.00 22.42 H new ATOM 0 HD23 LEU A 20 -9.195 1.288 5.947 1.00 22.42 H new ATOM 307 N LEU A 21 -6.987 -2.810 6.347 1.00 24.33 N ATOM 308 CA LEU A 21 -6.970 -3.611 5.127 1.00 44.14 C ATOM 309 C LEU A 21 -7.687 -4.940 5.338 1.00 51.30 C ATOM 310 O LEU A 21 -8.409 -5.414 4.461 1.00 70.41 O ATOM 311 CB LEU A 21 -5.529 -3.860 4.677 1.00 13.44 C ATOM 312 CG LEU A 21 -4.881 -2.747 3.853 1.00 11.21 C ATOM 313 CD1 LEU A 21 -3.435 -3.093 3.534 1.00 52.15 C ATOM 314 CD2 LEU A 21 -5.668 -2.503 2.574 1.00 51.24 C ATOM 0 H LEU A 21 -6.106 -2.807 6.861 1.00 24.33 H new ATOM 0 HA LEU A 21 -7.496 -3.056 4.350 1.00 44.14 H new ATOM 0 HB2 LEU A 21 -4.918 -4.032 5.563 1.00 13.44 H new ATOM 0 HB3 LEU A 21 -5.506 -4.779 4.091 1.00 13.44 H new ATOM 0 HG LEU A 21 -4.892 -1.830 4.443 1.00 11.21 H new ATOM 0 HD11 LEU A 21 -2.990 -2.290 2.947 1.00 52.15 H new ATOM 0 HD12 LEU A 21 -2.877 -3.216 4.462 1.00 52.15 H new ATOM 0 HD13 LEU A 21 -3.400 -4.021 2.964 1.00 52.15 H new ATOM 0 HD21 LEU A 21 -5.192 -1.708 2.000 1.00 51.24 H new ATOM 0 HD22 LEU A 21 -5.689 -3.417 1.980 1.00 51.24 H new ATOM 0 HD23 LEU A 21 -6.687 -2.210 2.824 1.00 51.24 H new ATOM 325 N LYS A 22 -7.485 -5.536 6.508 1.00 4.03 N ATOM 326 CA LYS A 22 -8.114 -6.809 6.837 1.00 14.02 C ATOM 327 C LYS A 22 -9.591 -6.617 7.169 1.00 23.51 C ATOM 328 O LYS A 22 -10.347 -7.585 7.259 1.00 1.44 O ATOM 329 CB LYS A 22 -7.396 -7.467 8.018 1.00 43.34 C ATOM 330 CG LYS A 22 -7.727 -6.835 9.359 1.00 3.11 C ATOM 331 CD LYS A 22 -6.929 -7.468 10.486 1.00 1.13 C ATOM 332 CE LYS A 22 -7.827 -7.875 11.645 1.00 43.14 C ATOM 333 NZ LYS A 22 -8.052 -6.748 12.593 1.00 73.40 N ATOM 0 H LYS A 22 -6.890 -5.157 7.245 1.00 4.03 H new ATOM 0 HA LYS A 22 -8.037 -7.459 5.965 1.00 14.02 H new ATOM 0 HB2 LYS A 22 -7.659 -8.524 8.049 1.00 43.34 H new ATOM 0 HB3 LYS A 22 -6.320 -7.411 7.855 1.00 43.34 H new ATOM 0 HG2 LYS A 22 -7.518 -5.766 9.320 1.00 3.11 H new ATOM 0 HG3 LYS A 22 -8.793 -6.944 9.561 1.00 3.11 H new ATOM 0 HD2 LYS A 22 -6.399 -8.343 10.111 1.00 1.13 H new ATOM 0 HD3 LYS A 22 -6.174 -6.765 10.839 1.00 1.13 H new ATOM 0 HE2 LYS A 22 -8.785 -8.221 11.258 1.00 43.14 H new ATOM 0 HE3 LYS A 22 -7.377 -8.713 12.177 1.00 43.14 H new ATOM 0 HZ1 LYS A 22 -8.668 -7.065 13.369 1.00 73.40 H new ATOM 0 HZ2 LYS A 22 -7.140 -6.434 12.982 1.00 73.40 H new ATOM 0 HZ3 LYS A 22 -8.505 -5.958 12.091 1.00 73.40 H new ATOM 343 N ASP A 23 -9.993 -5.365 7.349 1.00 70.23 N ATOM 344 CA ASP A 23 -11.380 -5.046 7.668 1.00 42.51 C ATOM 345 C ASP A 23 -12.065 -4.360 6.490 1.00 12.40 C ATOM 346 O ASP A 23 -13.223 -3.950 6.584 1.00 60.30 O ATOM 347 CB ASP A 23 -11.447 -4.150 8.906 1.00 72.23 C ATOM 348 CG ASP A 23 -12.852 -4.043 9.468 1.00 62.51 C ATOM 349 OD1 ASP A 23 -13.425 -5.090 9.834 1.00 75.45 O ATOM 350 OD2 ASP A 23 -13.377 -2.912 9.541 1.00 33.23 O ATOM 0 H ASP A 23 -9.379 -4.554 7.280 1.00 70.23 H new ATOM 0 HA ASP A 23 -11.904 -5.979 7.875 1.00 42.51 H new ATOM 0 HB2 ASP A 23 -10.781 -4.545 9.673 1.00 72.23 H new ATOM 0 HB3 ASP A 23 -11.084 -3.154 8.651 1.00 72.23 H new ATOM 354 N LYS A 24 -11.343 -4.238 5.382 1.00 60.10 N ATOM 355 CA LYS A 24 -11.880 -3.601 4.184 1.00 0.15 C ATOM 356 C LYS A 24 -11.894 -4.576 3.012 1.00 33.20 C ATOM 357 O LYS A 24 -11.262 -5.631 3.060 1.00 45.21 O ATOM 358 CB LYS A 24 -11.054 -2.365 3.825 1.00 74.50 C ATOM 359 CG LYS A 24 -11.413 -1.135 4.640 1.00 21.13 C ATOM 360 CD LYS A 24 -12.669 -0.464 4.113 1.00 72.25 C ATOM 361 CE LYS A 24 -12.857 0.920 4.715 1.00 42.52 C ATOM 362 NZ LYS A 24 -14.288 1.333 4.722 1.00 62.12 N ATOM 0 H LYS A 24 -10.384 -4.572 5.288 1.00 60.10 H new ATOM 0 HA LYS A 24 -12.905 -3.295 4.392 1.00 0.15 H new ATOM 0 HB2 LYS A 24 -9.997 -2.590 3.969 1.00 74.50 H new ATOM 0 HB3 LYS A 24 -11.191 -2.142 2.767 1.00 74.50 H new ATOM 0 HG2 LYS A 24 -11.561 -1.418 5.682 1.00 21.13 H new ATOM 0 HG3 LYS A 24 -10.584 -0.427 4.617 1.00 21.13 H new ATOM 0 HD2 LYS A 24 -12.612 -0.385 3.027 1.00 72.25 H new ATOM 0 HD3 LYS A 24 -13.537 -1.083 4.342 1.00 72.25 H new ATOM 0 HE2 LYS A 24 -12.472 0.928 5.735 1.00 42.52 H new ATOM 0 HE3 LYS A 24 -12.273 1.645 4.148 1.00 42.52 H new ATOM 0 HZ1 LYS A 24 -14.374 2.281 5.140 1.00 62.12 H new ATOM 0 HZ2 LYS A 24 -14.649 1.351 3.747 1.00 62.12 H new ATOM 0 HZ3 LYS A 24 -14.842 0.656 5.284 1.00 62.12 H new ATOM 372 N ASP A 25 -12.618 -4.215 1.958 1.00 61.33 N ATOM 373 CA ASP A 25 -12.712 -5.056 0.770 1.00 30.01 C ATOM 374 C ASP A 25 -11.329 -5.332 0.188 1.00 64.01 C ATOM 375 O ASP A 25 -10.375 -4.586 0.411 1.00 50.40 O ATOM 376 CB ASP A 25 -13.599 -4.391 -0.284 1.00 5.11 C ATOM 377 CG ASP A 25 -14.985 -5.004 -0.343 1.00 40.04 C ATOM 378 OD1 ASP A 25 -15.795 -4.728 0.566 1.00 33.11 O ATOM 379 OD2 ASP A 25 -15.259 -5.757 -1.300 1.00 33.21 O ATOM 0 H ASP A 25 -13.148 -3.346 1.902 1.00 61.33 H new ATOM 0 HA ASP A 25 -13.159 -6.006 1.063 1.00 30.01 H new ATOM 0 HB2 ASP A 25 -13.684 -3.327 -0.064 1.00 5.11 H new ATOM 0 HB3 ASP A 25 -13.124 -4.478 -1.261 1.00 5.11 H new ATOM 383 N PRO A 26 -11.216 -6.428 -0.575 1.00 24.41 N ATOM 384 CA PRO A 26 -9.953 -6.827 -1.204 1.00 32.44 C ATOM 385 C PRO A 26 -9.541 -5.883 -2.329 1.00 21.13 C ATOM 386 O PRO A 26 -10.388 -5.309 -3.011 1.00 10.10 O ATOM 387 CB PRO A 26 -10.258 -8.220 -1.761 1.00 13.11 C ATOM 388 CG PRO A 26 -11.734 -8.230 -1.969 1.00 70.11 C ATOM 389 CD PRO A 26 -12.310 -7.363 -0.883 1.00 74.00 C ATOM 0 HA PRO A 26 -9.123 -6.807 -0.498 1.00 32.44 H new ATOM 0 HB2 PRO A 26 -9.725 -8.398 -2.695 1.00 13.11 H new ATOM 0 HB3 PRO A 26 -9.951 -9.001 -1.065 1.00 13.11 H new ATOM 0 HG2 PRO A 26 -11.992 -7.844 -2.955 1.00 70.11 H new ATOM 0 HG3 PRO A 26 -12.130 -9.244 -1.910 1.00 70.11 H new ATOM 0 HD2 PRO A 26 -13.204 -6.838 -1.220 1.00 74.00 H new ATOM 0 HD3 PRO A 26 -12.595 -7.950 -0.010 1.00 74.00 H new ATOM 394 N GLY A 27 -8.234 -5.729 -2.517 1.00 44.31 N ATOM 395 CA GLY A 27 -7.734 -4.853 -3.560 1.00 73.24 C ATOM 396 C GLY A 27 -7.526 -3.431 -3.075 1.00 33.52 C ATOM 397 O GLY A 27 -6.856 -2.636 -3.732 1.00 4.13 O ATOM 0 H GLY A 27 -7.513 -6.195 -1.966 1.00 44.31 H new ATOM 0 HA2 GLY A 27 -6.790 -5.246 -3.938 1.00 73.24 H new ATOM 0 HA3 GLY A 27 -8.435 -4.850 -4.394 1.00 73.24 H new ATOM 401 N ALA A 28 -8.105 -3.111 -1.922 1.00 32.51 N ATOM 402 CA ALA A 28 -7.980 -1.777 -1.349 1.00 71.14 C ATOM 403 C ALA A 28 -6.564 -1.528 -0.840 1.00 21.41 C ATOM 404 O ALA A 28 -5.874 -2.456 -0.416 1.00 51.41 O ATOM 405 CB ALA A 28 -8.987 -1.588 -0.226 1.00 12.43 C ATOM 0 H ALA A 28 -8.665 -3.758 -1.367 1.00 32.51 H new ATOM 0 HA ALA A 28 -8.188 -1.051 -2.135 1.00 71.14 H new ATOM 0 HB1 ALA A 28 -8.882 -0.587 0.192 1.00 12.43 H new ATOM 0 HB2 ALA A 28 -9.996 -1.713 -0.618 1.00 12.43 H new ATOM 0 HB3 ALA A 28 -8.806 -2.328 0.554 1.00 12.43 H new ATOM 411 N PHE A 29 -6.136 -0.272 -0.886 1.00 51.22 N ATOM 412 CA PHE A 29 -4.800 0.098 -0.431 1.00 54.35 C ATOM 413 C PHE A 29 -4.851 1.352 0.437 1.00 25.40 C ATOM 414 O PHE A 29 -5.870 2.040 0.497 1.00 1.12 O ATOM 415 CB PHE A 29 -3.877 0.330 -1.629 1.00 63.21 C ATOM 416 CG PHE A 29 -4.198 1.576 -2.402 1.00 61.03 C ATOM 417 CD1 PHE A 29 -5.365 1.667 -3.142 1.00 40.34 C ATOM 418 CD2 PHE A 29 -3.332 2.659 -2.388 1.00 3.44 C ATOM 419 CE1 PHE A 29 -5.662 2.814 -3.855 1.00 14.35 C ATOM 420 CE2 PHE A 29 -3.625 3.807 -3.098 1.00 60.45 C ATOM 421 CZ PHE A 29 -4.792 3.885 -3.832 1.00 61.53 C ATOM 0 H PHE A 29 -6.694 0.508 -1.234 1.00 51.22 H new ATOM 0 HA PHE A 29 -4.406 -0.722 0.169 1.00 54.35 H new ATOM 0 HB2 PHE A 29 -2.847 0.386 -1.278 1.00 63.21 H new ATOM 0 HB3 PHE A 29 -3.940 -0.529 -2.297 1.00 63.21 H new ATOM 0 HD1 PHE A 29 -6.051 0.833 -3.162 1.00 40.34 H new ATOM 0 HD2 PHE A 29 -2.418 2.604 -1.815 1.00 3.44 H new ATOM 0 HE1 PHE A 29 -6.575 2.872 -4.430 1.00 14.35 H new ATOM 0 HE2 PHE A 29 -2.942 4.643 -3.079 1.00 60.45 H new ATOM 0 HZ PHE A 29 -5.023 4.782 -4.387 1.00 61.53 H new ATOM 430 N LEU A 30 -3.741 1.643 1.109 1.00 54.23 N ATOM 431 CA LEU A 30 -3.657 2.814 1.975 1.00 50.23 C ATOM 432 C LEU A 30 -2.220 3.317 2.071 1.00 23.01 C ATOM 433 O LEU A 30 -1.275 2.528 2.073 1.00 60.31 O ATOM 434 CB LEU A 30 -4.187 2.480 3.370 1.00 71.10 C ATOM 435 CG LEU A 30 -3.810 3.458 4.483 1.00 14.24 C ATOM 436 CD1 LEU A 30 -4.963 3.623 5.462 1.00 53.22 C ATOM 437 CD2 LEU A 30 -2.558 2.985 5.207 1.00 23.11 C ATOM 0 H LEU A 30 -2.888 1.085 1.070 1.00 54.23 H new ATOM 0 HA LEU A 30 -4.271 3.603 1.540 1.00 50.23 H new ATOM 0 HB2 LEU A 30 -5.274 2.420 3.319 1.00 71.10 H new ATOM 0 HB3 LEU A 30 -3.826 1.489 3.646 1.00 71.10 H new ATOM 0 HG LEU A 30 -3.601 4.428 4.032 1.00 14.24 H new ATOM 0 HD11 LEU A 30 -4.676 4.323 6.247 1.00 53.22 H new ATOM 0 HD12 LEU A 30 -5.836 4.007 4.935 1.00 53.22 H new ATOM 0 HD13 LEU A 30 -5.204 2.657 5.907 1.00 53.22 H new ATOM 0 HD21 LEU A 30 -2.304 3.693 5.996 1.00 23.11 H new ATOM 0 HD22 LEU A 30 -2.740 2.004 5.645 1.00 23.11 H new ATOM 0 HD23 LEU A 30 -1.732 2.919 4.499 1.00 23.11 H new ATOM 448 N ILE A 31 -2.064 4.634 2.154 1.00 42.51 N ATOM 449 CA ILE A 31 -0.743 5.242 2.255 1.00 71.43 C ATOM 450 C ILE A 31 -0.549 5.913 3.611 1.00 72.32 C ATOM 451 O ILE A 31 -1.464 6.544 4.140 1.00 33.53 O ATOM 452 CB ILE A 31 -0.515 6.282 1.142 1.00 54.51 C ATOM 453 CG1 ILE A 31 -0.728 5.645 -0.233 1.00 22.30 C ATOM 454 CG2 ILE A 31 0.882 6.874 1.249 1.00 73.15 C ATOM 455 CD1 ILE A 31 -0.705 6.641 -1.371 1.00 44.21 C ATOM 0 H ILE A 31 -2.836 5.300 2.153 1.00 42.51 H new ATOM 0 HA ILE A 31 -0.016 4.438 2.143 1.00 71.43 H new ATOM 0 HB ILE A 31 -1.239 7.088 1.263 1.00 54.51 H new ATOM 0 HG12 ILE A 31 0.046 4.896 -0.401 1.00 22.30 H new ATOM 0 HG13 ILE A 31 -1.684 5.122 -0.238 1.00 22.30 H new ATOM 0 HG21 ILE A 31 1.028 7.607 0.456 1.00 73.15 H new ATOM 0 HG22 ILE A 31 0.998 7.360 2.218 1.00 73.15 H new ATOM 0 HG23 ILE A 31 1.622 6.080 1.150 1.00 73.15 H new ATOM 0 HD11 ILE A 31 -0.862 6.119 -2.315 1.00 44.21 H new ATOM 0 HD12 ILE A 31 -1.496 7.376 -1.227 1.00 44.21 H new ATOM 0 HD13 ILE A 31 0.260 7.147 -1.393 1.00 44.21 H new ATOM 466 N ARG A 32 0.650 5.775 4.167 1.00 73.51 N ATOM 467 CA ARG A 32 0.966 6.368 5.460 1.00 2.11 C ATOM 468 C ARG A 32 2.396 6.902 5.479 1.00 54.41 C ATOM 469 O ARG A 32 3.208 6.562 4.619 1.00 74.01 O ATOM 470 CB ARG A 32 0.780 5.338 6.576 1.00 41.25 C ATOM 471 CG ARG A 32 1.891 4.302 6.640 1.00 42.24 C ATOM 472 CD ARG A 32 1.332 2.890 6.704 1.00 13.00 C ATOM 473 NE ARG A 32 2.378 1.897 6.934 1.00 34.50 N ATOM 474 CZ ARG A 32 2.240 0.606 6.654 1.00 10.30 C ATOM 475 NH1 ARG A 32 1.106 0.154 6.137 1.00 1.24 N ATOM 476 NH2 ARG A 32 3.237 -0.236 6.891 1.00 63.32 N ATOM 0 H ARG A 32 1.419 5.257 3.742 1.00 73.51 H new ATOM 0 HA ARG A 32 0.283 7.201 5.626 1.00 2.11 H new ATOM 0 HB2 ARG A 32 0.724 5.857 7.533 1.00 41.25 H new ATOM 0 HB3 ARG A 32 -0.173 4.828 6.433 1.00 41.25 H new ATOM 0 HG2 ARG A 32 2.533 4.401 5.765 1.00 42.24 H new ATOM 0 HG3 ARG A 32 2.514 4.488 7.515 1.00 42.24 H new ATOM 0 HD2 ARG A 32 0.592 2.829 7.502 1.00 13.00 H new ATOM 0 HD3 ARG A 32 0.815 2.662 5.772 1.00 13.00 H new ATOM 0 HE ARG A 32 3.263 2.212 7.331 1.00 34.50 H new ATOM 0 HH11 ARG A 32 0.337 0.798 5.953 1.00 1.24 H new ATOM 0 HH12 ARG A 32 1.003 -0.838 5.923 1.00 1.24 H new ATOM 0 HH21 ARG A 32 4.111 0.108 7.289 1.00 63.32 H new ATOM 0 HH22 ARG A 32 3.130 -1.227 6.675 1.00 63.32 H new ATOM 487 N ASP A 33 2.694 7.742 6.464 1.00 23.24 N ATOM 488 CA ASP A 33 4.025 8.323 6.596 1.00 30.12 C ATOM 489 C ASP A 33 5.049 7.258 6.979 1.00 54.21 C ATOM 490 O ASP A 33 4.931 6.617 8.023 1.00 40.11 O ATOM 491 CB ASP A 33 4.016 9.438 7.643 1.00 64.24 C ATOM 492 CG ASP A 33 5.085 10.482 7.385 1.00 23.24 C ATOM 493 OD1 ASP A 33 5.392 10.737 6.202 1.00 73.11 O ATOM 494 OD2 ASP A 33 5.616 11.043 8.367 1.00 42.13 O ATOM 0 H ASP A 33 2.032 8.036 7.182 1.00 23.24 H new ATOM 0 HA ASP A 33 4.308 8.743 5.631 1.00 30.12 H new ATOM 0 HB2 ASP A 33 3.037 9.918 7.650 1.00 64.24 H new ATOM 0 HB3 ASP A 33 4.166 9.005 8.632 1.00 64.24 H new ATOM 498 N SER A 34 6.050 7.073 6.124 1.00 44.31 N ATOM 499 CA SER A 34 7.092 6.083 6.370 1.00 14.41 C ATOM 500 C SER A 34 8.242 6.689 7.168 1.00 54.52 C ATOM 501 O SER A 34 9.192 7.226 6.598 1.00 70.20 O ATOM 502 CB SER A 34 7.614 5.522 5.047 1.00 34.42 C ATOM 503 OG SER A 34 8.015 4.170 5.188 1.00 22.03 O ATOM 0 H SER A 34 6.161 7.596 5.255 1.00 44.31 H new ATOM 0 HA SER A 34 6.657 5.272 6.954 1.00 14.41 H new ATOM 0 HB2 SER A 34 6.838 5.597 4.285 1.00 34.42 H new ATOM 0 HB3 SER A 34 8.457 6.120 4.702 1.00 34.42 H new ATOM 0 HG SER A 34 8.343 3.835 4.328 1.00 22.03 H new ATOM 508 N HIS A 35 8.148 6.600 8.491 1.00 42.12 N ATOM 509 CA HIS A 35 9.180 7.140 9.369 1.00 70.40 C ATOM 510 C HIS A 35 10.465 6.322 9.264 1.00 14.55 C ATOM 511 O HIS A 35 11.517 6.734 9.753 1.00 55.44 O ATOM 512 CB HIS A 35 8.690 7.159 10.817 1.00 71.13 C ATOM 513 CG HIS A 35 7.888 8.375 11.161 1.00 45.35 C ATOM 514 ND1 HIS A 35 6.827 8.352 12.042 1.00 43.15 N ATOM 515 CD2 HIS A 35 7.998 9.658 10.740 1.00 22.25 C ATOM 516 CE1 HIS A 35 6.318 9.568 12.146 1.00 34.25 C ATOM 517 NE2 HIS A 35 7.011 10.378 11.366 1.00 12.11 N ATOM 0 H HIS A 35 7.368 6.159 8.978 1.00 42.12 H new ATOM 0 HA HIS A 35 9.393 8.161 9.053 1.00 70.40 H new ATOM 0 HB2 HIS A 35 8.085 6.271 10.999 1.00 71.13 H new ATOM 0 HB3 HIS A 35 9.550 7.100 11.484 1.00 71.13 H new ATOM 0 HD2 HIS A 35 8.727 10.043 10.042 1.00 22.25 H new ATOM 0 HE1 HIS A 35 5.478 9.851 12.764 1.00 34.25 H new ATOM 0 HE2 HIS A 35 6.840 11.377 11.248 1.00 12.11 H new ATOM 524 N SER A 36 10.369 5.159 8.626 1.00 10.41 N ATOM 525 CA SER A 36 11.521 4.281 8.462 1.00 43.14 C ATOM 526 C SER A 36 12.701 5.039 7.861 1.00 24.32 C ATOM 527 O SER A 36 13.804 5.028 8.407 1.00 22.13 O ATOM 528 CB SER A 36 11.159 3.091 7.572 1.00 23.15 C ATOM 529 OG SER A 36 12.200 2.128 7.560 1.00 70.32 O ATOM 0 H SER A 36 9.506 4.804 8.215 1.00 10.41 H new ATOM 0 HA SER A 36 11.810 3.915 9.447 1.00 43.14 H new ATOM 0 HB2 SER A 36 10.238 2.631 7.931 1.00 23.15 H new ATOM 0 HB3 SER A 36 10.968 3.437 6.556 1.00 23.15 H new ATOM 0 HG SER A 36 11.944 1.376 6.986 1.00 70.32 H new ATOM 534 N PHE A 37 12.461 5.698 6.732 1.00 14.35 N ATOM 535 CA PHE A 37 13.502 6.461 6.054 1.00 5.35 C ATOM 536 C PHE A 37 12.946 7.772 5.506 1.00 53.11 C ATOM 537 O PHE A 37 11.743 7.901 5.280 1.00 74.01 O ATOM 538 CB PHE A 37 14.110 5.637 4.919 1.00 61.20 C ATOM 539 CG PHE A 37 15.608 5.538 4.985 1.00 22.02 C ATOM 540 CD1 PHE A 37 16.234 5.070 6.129 1.00 62.41 C ATOM 541 CD2 PHE A 37 16.389 5.913 3.903 1.00 11.55 C ATOM 542 CE1 PHE A 37 17.612 4.979 6.192 1.00 4.22 C ATOM 543 CE2 PHE A 37 17.766 5.824 3.962 1.00 62.31 C ATOM 544 CZ PHE A 37 18.379 5.356 5.107 1.00 24.24 C ATOM 0 H PHE A 37 11.553 5.719 6.267 1.00 14.35 H new ATOM 0 HA PHE A 37 14.280 6.693 6.781 1.00 5.35 H new ATOM 0 HB2 PHE A 37 13.686 4.633 4.942 1.00 61.20 H new ATOM 0 HB3 PHE A 37 13.825 6.081 3.965 1.00 61.20 H new ATOM 0 HD1 PHE A 37 15.639 4.773 6.980 1.00 62.41 H new ATOM 0 HD2 PHE A 37 15.916 6.279 3.004 1.00 11.55 H new ATOM 0 HE1 PHE A 37 18.089 4.613 7.089 1.00 4.22 H new ATOM 0 HE2 PHE A 37 18.363 6.121 3.112 1.00 62.31 H new ATOM 0 HZ PHE A 37 19.456 5.285 5.154 1.00 24.24 H new ATOM 553 N GLN A 38 13.831 8.741 5.295 1.00 53.20 N ATOM 554 CA GLN A 38 13.429 10.042 4.775 1.00 55.23 C ATOM 555 C GLN A 38 12.945 9.926 3.332 1.00 20.34 C ATOM 556 O GLN A 38 13.457 9.116 2.559 1.00 1.03 O ATOM 557 CB GLN A 38 14.593 11.029 4.856 1.00 45.23 C ATOM 558 CG GLN A 38 14.442 12.057 5.967 1.00 51.11 C ATOM 559 CD GLN A 38 15.672 12.927 6.129 1.00 22.53 C ATOM 560 OE1 GLN A 38 16.656 12.522 6.750 1.00 32.42 O ATOM 561 NE2 GLN A 38 15.626 14.131 5.570 1.00 21.41 N ATOM 0 H GLN A 38 14.831 8.649 5.476 1.00 53.20 H new ATOM 0 HA GLN A 38 12.606 10.411 5.387 1.00 55.23 H new ATOM 0 HB2 GLN A 38 15.519 10.475 5.009 1.00 45.23 H new ATOM 0 HB3 GLN A 38 14.686 11.548 3.902 1.00 45.23 H new ATOM 0 HG2 GLN A 38 13.580 12.690 5.757 1.00 51.11 H new ATOM 0 HG3 GLN A 38 14.239 11.543 6.907 1.00 51.11 H new ATOM 0 HE21 GLN A 38 14.791 14.427 5.064 1.00 21.41 H new ATOM 0 HE22 GLN A 38 16.426 14.760 5.646 1.00 21.41 H new ATOM 568 N GLY A 39 11.957 10.741 2.977 1.00 34.44 N ATOM 569 CA GLY A 39 11.421 10.712 1.628 1.00 43.32 C ATOM 570 C GLY A 39 10.884 9.348 1.246 1.00 33.14 C ATOM 571 O GLY A 39 11.040 8.907 0.107 1.00 63.14 O ATOM 0 H GLY A 39 11.518 11.420 3.598 1.00 34.44 H new ATOM 0 HA2 GLY A 39 10.624 11.450 1.541 1.00 43.32 H new ATOM 0 HA3 GLY A 39 12.201 11.002 0.924 1.00 43.32 H new ATOM 575 N ALA A 40 10.251 8.674 2.200 1.00 11.44 N ATOM 576 CA ALA A 40 9.688 7.350 1.958 1.00 43.35 C ATOM 577 C ALA A 40 8.229 7.287 2.394 1.00 53.50 C ATOM 578 O ALA A 40 7.841 7.893 3.393 1.00 20.10 O ATOM 579 CB ALA A 40 10.504 6.290 2.681 1.00 23.43 C ATOM 0 H ALA A 40 10.115 9.023 3.149 1.00 11.44 H new ATOM 0 HA ALA A 40 9.728 7.155 0.886 1.00 43.35 H new ATOM 0 HB1 ALA A 40 10.073 5.307 2.492 1.00 23.43 H new ATOM 0 HB2 ALA A 40 11.532 6.311 2.318 1.00 23.43 H new ATOM 0 HB3 ALA A 40 10.493 6.491 3.752 1.00 23.43 H new ATOM 585 N TYR A 41 7.422 6.549 1.638 1.00 42.41 N ATOM 586 CA TYR A 41 6.004 6.409 1.945 1.00 32.34 C ATOM 587 C TYR A 41 5.618 4.938 2.078 1.00 41.14 C ATOM 588 O TYR A 41 6.008 4.107 1.261 1.00 73.51 O ATOM 589 CB TYR A 41 5.157 7.074 0.859 1.00 14.31 C ATOM 590 CG TYR A 41 4.816 8.516 1.155 1.00 63.20 C ATOM 591 CD1 TYR A 41 3.705 8.846 1.921 1.00 32.41 C ATOM 592 CD2 TYR A 41 5.606 9.551 0.668 1.00 11.23 C ATOM 593 CE1 TYR A 41 3.390 10.163 2.193 1.00 22.33 C ATOM 594 CE2 TYR A 41 5.299 10.871 0.936 1.00 30.44 C ATOM 595 CZ TYR A 41 4.190 11.172 1.699 1.00 75.10 C ATOM 596 OH TYR A 41 3.880 12.486 1.969 1.00 23.54 O ATOM 0 H TYR A 41 7.726 6.039 0.809 1.00 42.41 H new ATOM 0 HA TYR A 41 5.814 6.904 2.898 1.00 32.34 H new ATOM 0 HB2 TYR A 41 5.692 7.023 -0.089 1.00 14.31 H new ATOM 0 HB3 TYR A 41 4.233 6.509 0.734 1.00 14.31 H new ATOM 0 HD1 TYR A 41 3.077 8.059 2.311 1.00 32.41 H new ATOM 0 HD2 TYR A 41 6.475 9.319 0.070 1.00 11.23 H new ATOM 0 HE1 TYR A 41 2.522 10.401 2.789 1.00 22.33 H new ATOM 0 HE2 TYR A 41 5.924 11.663 0.550 1.00 30.44 H new ATOM 0 HH TYR A 41 4.544 13.072 1.549 1.00 23.54 H new ATOM 605 N GLY A 42 4.848 4.626 3.116 1.00 61.13 N ATOM 606 CA GLY A 42 4.421 3.258 3.339 1.00 75.24 C ATOM 607 C GLY A 42 3.131 2.928 2.614 1.00 32.13 C ATOM 608 O GLY A 42 2.087 3.520 2.888 1.00 13.43 O ATOM 0 H GLY A 42 4.512 5.297 3.807 1.00 61.13 H new ATOM 0 HA2 GLY A 42 5.205 2.577 3.007 1.00 75.24 H new ATOM 0 HA3 GLY A 42 4.286 3.092 4.408 1.00 75.24 H new ATOM 612 N LEU A 43 3.202 1.981 1.684 1.00 23.25 N ATOM 613 CA LEU A 43 2.032 1.574 0.916 1.00 13.15 C ATOM 614 C LEU A 43 1.581 0.171 1.312 1.00 34.20 C ATOM 615 O LEU A 43 2.371 -0.773 1.298 1.00 5.21 O ATOM 616 CB LEU A 43 2.339 1.618 -0.582 1.00 44.42 C ATOM 617 CG LEU A 43 1.216 1.156 -1.512 1.00 3.44 C ATOM 618 CD1 LEU A 43 0.147 2.230 -1.634 1.00 50.11 C ATOM 619 CD2 LEU A 43 1.773 0.797 -2.881 1.00 72.21 C ATOM 0 H LEU A 43 4.058 1.481 1.444 1.00 23.25 H new ATOM 0 HA LEU A 43 1.224 2.272 1.136 1.00 13.15 H new ATOM 0 HB2 LEU A 43 2.606 2.641 -0.848 1.00 44.42 H new ATOM 0 HB3 LEU A 43 3.217 1.000 -0.771 1.00 44.42 H new ATOM 0 HG LEU A 43 0.758 0.265 -1.083 1.00 3.44 H new ATOM 0 HD11 LEU A 43 -0.643 1.883 -2.300 1.00 50.11 H new ATOM 0 HD12 LEU A 43 -0.273 2.439 -0.650 1.00 50.11 H new ATOM 0 HD13 LEU A 43 0.590 3.140 -2.040 1.00 50.11 H new ATOM 0 HD21 LEU A 43 0.961 0.470 -3.530 1.00 72.21 H new ATOM 0 HD22 LEU A 43 2.257 1.671 -3.317 1.00 72.21 H new ATOM 0 HD23 LEU A 43 2.501 -0.008 -2.778 1.00 72.21 H new ATOM 630 N ALA A 44 0.306 0.041 1.661 1.00 13.35 N ATOM 631 CA ALA A 44 -0.251 -1.247 2.057 1.00 71.40 C ATOM 632 C ALA A 44 -1.395 -1.658 1.135 1.00 62.52 C ATOM 633 O ALA A 44 -2.207 -0.826 0.730 1.00 73.53 O ATOM 634 CB ALA A 44 -0.727 -1.196 3.501 1.00 61.12 C ATOM 0 H ALA A 44 -0.362 0.812 1.678 1.00 13.35 H new ATOM 0 HA ALA A 44 0.536 -1.996 1.972 1.00 71.40 H new ATOM 0 HB1 ALA A 44 -1.140 -2.165 3.782 1.00 61.12 H new ATOM 0 HB2 ALA A 44 0.113 -0.957 4.153 1.00 61.12 H new ATOM 0 HB3 ALA A 44 -1.496 -0.430 3.604 1.00 61.12 H new ATOM 640 N LEU A 45 -1.451 -2.944 0.806 1.00 43.32 N ATOM 641 CA LEU A 45 -2.495 -3.464 -0.069 1.00 33.43 C ATOM 642 C LEU A 45 -3.065 -4.768 0.480 1.00 53.51 C ATOM 643 O LEU A 45 -2.334 -5.601 1.016 1.00 15.15 O ATOM 644 CB LEU A 45 -1.942 -3.689 -1.477 1.00 71.33 C ATOM 645 CG LEU A 45 -2.898 -4.341 -2.478 1.00 63.11 C ATOM 646 CD1 LEU A 45 -4.226 -3.602 -2.505 1.00 50.21 C ATOM 647 CD2 LEU A 45 -2.275 -4.374 -3.866 1.00 33.14 C ATOM 0 H LEU A 45 -0.786 -3.645 1.132 1.00 43.32 H new ATOM 0 HA LEU A 45 -3.298 -2.728 -0.114 1.00 33.43 H new ATOM 0 HB2 LEU A 45 -1.627 -2.726 -1.880 1.00 71.33 H new ATOM 0 HB3 LEU A 45 -1.049 -4.310 -1.400 1.00 71.33 H new ATOM 0 HG LEU A 45 -3.083 -5.367 -2.160 1.00 63.11 H new ATOM 0 HD11 LEU A 45 -4.894 -4.079 -3.222 1.00 50.21 H new ATOM 0 HD12 LEU A 45 -4.678 -3.630 -1.514 1.00 50.21 H new ATOM 0 HD13 LEU A 45 -4.060 -2.565 -2.798 1.00 50.21 H new ATOM 0 HD21 LEU A 45 -2.969 -4.841 -4.565 1.00 33.14 H new ATOM 0 HD22 LEU A 45 -2.060 -3.357 -4.193 1.00 33.14 H new ATOM 0 HD23 LEU A 45 -1.349 -4.948 -3.836 1.00 33.14 H new ATOM 658 N LYS A 46 -4.376 -4.940 0.339 1.00 24.31 N ATOM 659 CA LYS A 46 -5.046 -6.144 0.817 1.00 23.42 C ATOM 660 C LYS A 46 -5.276 -7.128 -0.324 1.00 71.51 C ATOM 661 O LYS A 46 -5.705 -6.743 -1.413 1.00 62.11 O ATOM 662 CB LYS A 46 -6.380 -5.784 1.473 1.00 54.45 C ATOM 663 CG LYS A 46 -7.073 -6.965 2.131 1.00 41.21 C ATOM 664 CD LYS A 46 -6.303 -7.455 3.346 1.00 32.15 C ATOM 665 CE LYS A 46 -6.858 -8.774 3.861 1.00 22.45 C ATOM 666 NZ LYS A 46 -6.249 -9.161 5.164 1.00 41.20 N ATOM 0 H LYS A 46 -4.995 -4.260 -0.103 1.00 24.31 H new ATOM 0 HA LYS A 46 -4.402 -6.619 1.557 1.00 23.42 H new ATOM 0 HB2 LYS A 46 -6.210 -5.010 2.222 1.00 54.45 H new ATOM 0 HB3 LYS A 46 -7.043 -5.358 0.719 1.00 54.45 H new ATOM 0 HG2 LYS A 46 -8.081 -6.677 2.429 1.00 41.21 H new ATOM 0 HG3 LYS A 46 -7.174 -7.777 1.411 1.00 41.21 H new ATOM 0 HD2 LYS A 46 -5.251 -7.578 3.087 1.00 32.15 H new ATOM 0 HD3 LYS A 46 -6.351 -6.705 4.136 1.00 32.15 H new ATOM 0 HE2 LYS A 46 -7.939 -8.693 3.975 1.00 22.45 H new ATOM 0 HE3 LYS A 46 -6.673 -9.558 3.126 1.00 22.45 H new ATOM 0 HZ1 LYS A 46 -6.809 -9.924 5.596 1.00 41.20 H new ATOM 0 HZ2 LYS A 46 -5.275 -9.492 5.008 1.00 41.20 H new ATOM 0 HZ3 LYS A 46 -6.237 -8.338 5.800 1.00 41.20 H new ATOM 676 N VAL A 47 -4.991 -8.401 -0.070 1.00 71.01 N ATOM 677 CA VAL A 47 -5.170 -9.441 -1.076 1.00 71.43 C ATOM 678 C VAL A 47 -6.540 -10.098 -0.950 1.00 61.03 C ATOM 679 O VAL A 47 -7.163 -10.058 0.110 1.00 25.12 O ATOM 680 CB VAL A 47 -4.081 -10.524 -0.965 1.00 23.23 C ATOM 681 CG1 VAL A 47 -2.696 -9.897 -1.020 1.00 14.53 C ATOM 682 CG2 VAL A 47 -4.259 -11.329 0.314 1.00 53.35 C ATOM 0 H VAL A 47 -4.635 -8.737 0.825 1.00 71.01 H new ATOM 0 HA VAL A 47 -5.091 -8.956 -2.049 1.00 71.43 H new ATOM 0 HB VAL A 47 -4.181 -11.203 -1.812 1.00 23.23 H new ATOM 0 HG11 VAL A 47 -1.940 -10.678 -0.940 1.00 14.53 H new ATOM 0 HG12 VAL A 47 -2.573 -9.368 -1.965 1.00 14.53 H new ATOM 0 HG13 VAL A 47 -2.581 -9.195 -0.194 1.00 14.53 H new ATOM 0 HG21 VAL A 47 -3.481 -12.090 0.376 1.00 53.35 H new ATOM 0 HG22 VAL A 47 -4.187 -10.665 1.175 1.00 53.35 H new ATOM 0 HG23 VAL A 47 -5.237 -11.810 0.308 1.00 53.35 H new ATOM 692 N ALA A 48 -7.003 -10.702 -2.039 1.00 31.10 N ATOM 693 CA ALA A 48 -8.298 -11.371 -2.049 1.00 73.22 C ATOM 694 C ALA A 48 -8.317 -12.547 -1.079 1.00 35.44 C ATOM 695 O ALA A 48 -9.131 -12.593 -0.156 1.00 71.12 O ATOM 696 CB ALA A 48 -8.640 -11.839 -3.457 1.00 4.00 C ATOM 0 H ALA A 48 -6.501 -10.742 -2.926 1.00 31.10 H new ATOM 0 HA ALA A 48 -9.052 -10.654 -1.723 1.00 73.22 H new ATOM 0 HB1 ALA A 48 -9.610 -12.337 -3.449 1.00 4.00 H new ATOM 0 HB2 ALA A 48 -8.678 -10.980 -4.127 1.00 4.00 H new ATOM 0 HB3 ALA A 48 -7.877 -12.536 -3.804 1.00 4.00 H new ATOM 909 N LEU A 65 -2.299 -11.859 4.606 1.00 23.24 N ATOM 910 CA LEU A 65 -3.225 -11.417 3.570 1.00 52.35 C ATOM 911 C LEU A 65 -3.035 -9.934 3.266 1.00 64.43 C ATOM 912 O LEU A 65 -3.789 -9.347 2.491 1.00 50.11 O ATOM 913 CB LEU A 65 -4.669 -11.679 4.002 1.00 3.11 C ATOM 914 CG LEU A 65 -5.140 -13.131 3.923 1.00 73.43 C ATOM 915 CD1 LEU A 65 -5.025 -13.806 5.282 1.00 71.44 C ATOM 916 CD2 LEU A 65 -6.572 -13.200 3.411 1.00 24.15 C ATOM 0 HA LEU A 65 -3.015 -11.985 2.664 1.00 52.35 H new ATOM 0 HB2 LEU A 65 -4.788 -11.335 5.029 1.00 3.11 H new ATOM 0 HB3 LEU A 65 -5.328 -11.070 3.384 1.00 3.11 H new ATOM 0 HG LEU A 65 -4.498 -13.663 3.221 1.00 73.43 H new ATOM 0 HD11 LEU A 65 -5.365 -14.839 5.205 1.00 71.44 H new ATOM 0 HD12 LEU A 65 -3.986 -13.790 5.610 1.00 71.44 H new ATOM 0 HD13 LEU A 65 -5.642 -13.274 6.006 1.00 71.44 H new ATOM 0 HD21 LEU A 65 -6.891 -14.241 3.361 1.00 24.15 H new ATOM 0 HD22 LEU A 65 -7.227 -12.652 4.088 1.00 24.15 H new ATOM 0 HD23 LEU A 65 -6.625 -12.756 2.417 1.00 24.15 H new ATOM 927 N VAL A 66 -2.019 -9.335 3.880 1.00 33.10 N ATOM 928 CA VAL A 66 -1.727 -7.922 3.674 1.00 74.55 C ATOM 929 C VAL A 66 -0.257 -7.709 3.329 1.00 4.41 C ATOM 930 O VAL A 66 0.631 -8.164 4.049 1.00 24.32 O ATOM 931 CB VAL A 66 -2.078 -7.088 4.919 1.00 64.20 C ATOM 932 CG1 VAL A 66 -1.823 -5.610 4.662 1.00 3.12 C ATOM 933 CG2 VAL A 66 -3.523 -7.325 5.330 1.00 4.11 C ATOM 0 H VAL A 66 -1.385 -9.807 4.524 1.00 33.10 H new ATOM 0 HA VAL A 66 -2.344 -7.590 2.839 1.00 74.55 H new ATOM 0 HB VAL A 66 -1.435 -7.405 5.740 1.00 64.20 H new ATOM 0 HG11 VAL A 66 -2.077 -5.037 5.553 1.00 3.12 H new ATOM 0 HG12 VAL A 66 -0.771 -5.459 4.421 1.00 3.12 H new ATOM 0 HG13 VAL A 66 -2.438 -5.274 3.827 1.00 3.12 H new ATOM 0 HG21 VAL A 66 -3.753 -6.727 6.212 1.00 4.11 H new ATOM 0 HG22 VAL A 66 -4.185 -7.037 4.514 1.00 4.11 H new ATOM 0 HG23 VAL A 66 -3.668 -8.381 5.560 1.00 4.11 H new ATOM 943 N ARG A 67 -0.009 -7.014 2.224 1.00 24.53 N ATOM 944 CA ARG A 67 1.354 -6.741 1.784 1.00 63.21 C ATOM 945 C ARG A 67 1.666 -5.250 1.870 1.00 44.42 C ATOM 946 O ARG A 67 1.054 -4.435 1.178 1.00 14.35 O ATOM 947 CB ARG A 67 1.558 -7.233 0.350 1.00 50.24 C ATOM 948 CG ARG A 67 2.605 -8.327 0.224 1.00 73.42 C ATOM 949 CD ARG A 67 2.060 -9.537 -0.518 1.00 21.14 C ATOM 950 NE ARG A 67 2.850 -10.738 -0.261 1.00 32.05 N ATOM 951 CZ ARG A 67 4.000 -11.007 -0.869 1.00 42.02 C ATOM 952 NH1 ARG A 67 4.493 -10.162 -1.764 1.00 52.14 N ATOM 953 NH2 ARG A 67 4.661 -12.120 -0.581 1.00 22.42 N ATOM 0 H ARG A 67 -0.733 -6.630 1.617 1.00 24.53 H new ATOM 0 HA ARG A 67 2.036 -7.276 2.445 1.00 63.21 H new ATOM 0 HB2 ARG A 67 0.609 -7.604 -0.036 1.00 50.24 H new ATOM 0 HB3 ARG A 67 1.849 -6.390 -0.276 1.00 50.24 H new ATOM 0 HG2 ARG A 67 3.477 -7.939 -0.302 1.00 73.42 H new ATOM 0 HG3 ARG A 67 2.940 -8.628 1.217 1.00 73.42 H new ATOM 0 HD2 ARG A 67 1.027 -9.711 -0.217 1.00 21.14 H new ATOM 0 HD3 ARG A 67 2.050 -9.332 -1.588 1.00 21.14 H new ATOM 0 HE ARG A 67 2.499 -11.408 0.424 1.00 32.05 H new ATOM 0 HH11 ARG A 67 3.989 -9.304 -1.987 1.00 52.14 H new ATOM 0 HH12 ARG A 67 5.376 -10.370 -2.230 1.00 52.14 H new ATOM 0 HH21 ARG A 67 4.287 -12.772 0.109 1.00 22.42 H new ATOM 0 HH22 ARG A 67 5.544 -12.324 -1.049 1.00 22.42 H new ATOM 964 N HIS A 68 2.621 -4.899 2.726 1.00 41.21 N ATOM 965 CA HIS A 68 3.013 -3.505 2.903 1.00 21.23 C ATOM 966 C HIS A 68 4.495 -3.315 2.595 1.00 2.03 C ATOM 967 O HIS A 68 5.350 -3.993 3.167 1.00 73.01 O ATOM 968 CB HIS A 68 2.713 -3.046 4.330 1.00 25.12 C ATOM 969 CG HIS A 68 3.465 -3.811 5.376 1.00 53.21 C ATOM 970 ND1 HIS A 68 3.033 -5.020 5.880 1.00 44.44 N ATOM 971 CD2 HIS A 68 4.628 -3.534 6.011 1.00 1.41 C ATOM 972 CE1 HIS A 68 3.896 -5.452 6.781 1.00 3.33 C ATOM 973 NE2 HIS A 68 4.874 -4.569 6.879 1.00 1.34 N ATOM 0 H HIS A 68 3.137 -5.560 3.307 1.00 41.21 H new ATOM 0 HA HIS A 68 2.434 -2.899 2.206 1.00 21.23 H new ATOM 0 HB2 HIS A 68 2.956 -1.987 4.421 1.00 25.12 H new ATOM 0 HB3 HIS A 68 1.644 -3.145 4.518 1.00 25.12 H new ATOM 0 HD2 HIS A 68 5.247 -2.662 5.863 1.00 1.41 H new ATOM 0 HE1 HIS A 68 3.816 -6.371 7.343 1.00 3.33 H new ATOM 0 HE2 HIS A 68 5.681 -4.644 7.499 1.00 1.34 H new ATOM 980 N PHE A 69 4.794 -2.389 1.690 1.00 54.52 N ATOM 981 CA PHE A 69 6.172 -2.111 1.306 1.00 1.30 C ATOM 982 C PHE A 69 6.456 -0.612 1.345 1.00 14.12 C ATOM 983 O PHE A 69 5.544 0.208 1.228 1.00 70.53 O ATOM 984 CB PHE A 69 6.454 -2.659 -0.094 1.00 71.24 C ATOM 985 CG PHE A 69 6.699 -4.140 -0.121 1.00 71.25 C ATOM 986 CD1 PHE A 69 7.653 -4.712 0.704 1.00 21.35 C ATOM 987 CD2 PHE A 69 5.975 -4.960 -0.972 1.00 40.31 C ATOM 988 CE1 PHE A 69 7.881 -6.075 0.683 1.00 33.32 C ATOM 989 CE2 PHE A 69 6.198 -6.323 -0.997 1.00 32.35 C ATOM 990 CZ PHE A 69 7.153 -6.882 -0.170 1.00 4.42 C ATOM 0 H PHE A 69 4.099 -1.818 1.209 1.00 54.52 H new ATOM 0 HA PHE A 69 6.829 -2.606 2.021 1.00 1.30 H new ATOM 0 HB2 PHE A 69 5.610 -2.427 -0.743 1.00 71.24 H new ATOM 0 HB3 PHE A 69 7.323 -2.148 -0.507 1.00 71.24 H new ATOM 0 HD1 PHE A 69 8.226 -4.085 1.372 1.00 21.35 H new ATOM 0 HD2 PHE A 69 5.229 -4.529 -1.623 1.00 40.31 H new ATOM 0 HE1 PHE A 69 8.627 -6.509 1.332 1.00 33.32 H new ATOM 0 HE2 PHE A 69 5.626 -6.952 -1.663 1.00 32.35 H new ATOM 0 HZ PHE A 69 7.330 -7.947 -0.190 1.00 4.42 H new ATOM 999 N LEU A 70 7.726 -0.261 1.510 1.00 0.23 N ATOM 1000 CA LEU A 70 8.132 1.140 1.566 1.00 73.42 C ATOM 1001 C LEU A 70 8.674 1.603 0.217 1.00 3.33 C ATOM 1002 O LEU A 70 9.598 1.001 -0.331 1.00 43.12 O ATOM 1003 CB LEU A 70 9.191 1.342 2.651 1.00 0.25 C ATOM 1004 CG LEU A 70 10.330 0.321 2.677 1.00 51.12 C ATOM 1005 CD1 LEU A 70 11.667 1.018 2.870 1.00 3.42 C ATOM 1006 CD2 LEU A 70 10.098 -0.708 3.773 1.00 35.23 C ATOM 0 H LEU A 70 8.493 -0.926 1.607 1.00 0.23 H new ATOM 0 HA LEU A 70 7.254 1.738 1.809 1.00 73.42 H new ATOM 0 HB2 LEU A 70 9.623 2.335 2.528 1.00 0.25 H new ATOM 0 HB3 LEU A 70 8.695 1.328 3.622 1.00 0.25 H new ATOM 0 HG LEU A 70 10.350 -0.198 1.719 1.00 51.12 H new ATOM 0 HD11 LEU A 70 12.465 0.276 2.886 1.00 3.42 H new ATOM 0 HD12 LEU A 70 11.836 1.715 2.049 1.00 3.42 H new ATOM 0 HD13 LEU A 70 11.660 1.564 3.814 1.00 3.42 H new ATOM 0 HD21 LEU A 70 10.918 -1.426 3.777 1.00 35.23 H new ATOM 0 HD22 LEU A 70 10.051 -0.206 4.739 1.00 35.23 H new ATOM 0 HD23 LEU A 70 9.159 -1.230 3.589 1.00 35.23 H new ATOM 1017 N ILE A 71 8.096 2.676 -0.310 1.00 14.20 N ATOM 1018 CA ILE A 71 8.523 3.221 -1.592 1.00 44.23 C ATOM 1019 C ILE A 71 9.341 4.495 -1.403 1.00 13.41 C ATOM 1020 O ILE A 71 8.979 5.363 -0.609 1.00 63.13 O ATOM 1021 CB ILE A 71 7.319 3.528 -2.503 1.00 64.32 C ATOM 1022 CG1 ILE A 71 6.376 2.325 -2.561 1.00 41.14 C ATOM 1023 CG2 ILE A 71 7.794 3.904 -3.899 1.00 32.31 C ATOM 1024 CD1 ILE A 71 5.308 2.343 -1.490 1.00 32.22 C ATOM 0 H ILE A 71 7.330 3.186 0.131 1.00 14.20 H new ATOM 0 HA ILE A 71 9.143 2.461 -2.067 1.00 44.23 H new ATOM 0 HB ILE A 71 6.773 4.374 -2.086 1.00 64.32 H new ATOM 0 HG12 ILE A 71 5.897 2.296 -3.540 1.00 41.14 H new ATOM 0 HG13 ILE A 71 6.961 1.410 -2.465 1.00 41.14 H new ATOM 0 HG21 ILE A 71 6.932 4.118 -4.531 1.00 32.31 H new ATOM 0 HG22 ILE A 71 8.430 4.787 -3.841 1.00 32.31 H new ATOM 0 HG23 ILE A 71 8.360 3.076 -4.326 1.00 32.31 H new ATOM 0 HD11 ILE A 71 4.676 1.461 -1.592 1.00 32.22 H new ATOM 0 HD12 ILE A 71 5.779 2.341 -0.507 1.00 32.22 H new ATOM 0 HD13 ILE A 71 4.699 3.240 -1.599 1.00 32.22 H new ATOM 1035 N GLU A 72 10.443 4.599 -2.138 1.00 71.13 N ATOM 1036 CA GLU A 72 11.311 5.768 -2.051 1.00 33.42 C ATOM 1037 C GLU A 72 11.251 6.585 -3.338 1.00 44.14 C ATOM 1038 O GLU A 72 11.354 6.044 -4.439 1.00 12.44 O ATOM 1039 CB GLU A 72 12.753 5.339 -1.772 1.00 70.15 C ATOM 1040 CG GLU A 72 13.510 6.301 -0.872 1.00 10.23 C ATOM 1041 CD GLU A 72 14.759 5.681 -0.276 1.00 1.52 C ATOM 1042 OE1 GLU A 72 14.625 4.787 0.586 1.00 22.34 O ATOM 1043 OE2 GLU A 72 15.870 6.090 -0.672 1.00 44.22 O ATOM 0 H GLU A 72 10.756 3.889 -2.800 1.00 71.13 H new ATOM 0 HA GLU A 72 10.960 6.391 -1.229 1.00 33.42 H new ATOM 0 HB2 GLU A 72 12.747 4.351 -1.311 1.00 70.15 H new ATOM 0 HB3 GLU A 72 13.285 5.245 -2.719 1.00 70.15 H new ATOM 0 HG2 GLU A 72 13.786 7.187 -1.444 1.00 10.23 H new ATOM 0 HG3 GLU A 72 12.854 6.633 -0.067 1.00 10.23 H new ATOM 1048 N THR A 73 11.085 7.897 -3.191 1.00 3.34 N ATOM 1049 CA THR A 73 11.010 8.791 -4.339 1.00 23.01 C ATOM 1050 C THR A 73 12.116 9.840 -4.293 1.00 3.14 C ATOM 1051 O THR A 73 12.220 10.604 -3.334 1.00 61.30 O ATOM 1052 CB THR A 73 9.646 9.503 -4.409 1.00 34.20 C ATOM 1053 OG1 THR A 73 9.680 10.529 -5.408 1.00 14.34 O ATOM 1054 CG2 THR A 73 9.283 10.110 -3.063 1.00 3.25 C ATOM 0 H THR A 73 11.000 8.363 -2.288 1.00 3.34 H new ATOM 0 HA THR A 73 11.135 8.173 -5.228 1.00 23.01 H new ATOM 0 HB THR A 73 8.888 8.765 -4.673 1.00 34.20 H new ATOM 0 HG1 THR A 73 8.809 10.976 -5.448 1.00 14.34 H new ATOM 0 HG21 THR A 73 8.316 10.607 -3.137 1.00 3.25 H new ATOM 0 HG22 THR A 73 9.229 9.322 -2.311 1.00 3.25 H new ATOM 0 HG23 THR A 73 10.043 10.836 -2.774 1.00 3.25 H new ATOM 1062 N GLY A 74 12.940 9.871 -5.335 1.00 51.34 N ATOM 1063 CA GLY A 74 14.027 10.831 -5.394 1.00 3.04 C ATOM 1064 C GLY A 74 14.127 11.513 -6.743 1.00 54.21 C ATOM 1065 O GLY A 74 13.212 11.449 -7.565 1.00 14.45 O ATOM 0 H GLY A 74 12.875 9.248 -6.140 1.00 51.34 H new ATOM 0 HA2 GLY A 74 13.884 11.584 -4.619 1.00 3.04 H new ATOM 0 HA3 GLY A 74 14.967 10.324 -5.176 1.00 3.04 H new ATOM 1069 N PRO A 75 15.261 12.188 -6.987 1.00 15.01 N ATOM 1070 CA PRO A 75 15.502 12.899 -8.246 1.00 44.42 C ATOM 1071 C PRO A 75 15.699 11.948 -9.421 1.00 24.51 C ATOM 1072 O PRO A 75 15.782 12.375 -10.573 1.00 22.21 O ATOM 1073 CB PRO A 75 16.789 13.681 -7.970 1.00 2.31 C ATOM 1074 CG PRO A 75 17.481 12.906 -6.901 1.00 42.24 C ATOM 1075 CD PRO A 75 16.393 12.307 -6.054 1.00 10.44 C ATOM 0 HA PRO A 75 14.657 13.527 -8.528 1.00 44.42 H new ATOM 0 HB2 PRO A 75 17.405 13.758 -8.866 1.00 2.31 H new ATOM 0 HB3 PRO A 75 16.572 14.698 -7.644 1.00 2.31 H new ATOM 0 HG2 PRO A 75 18.114 12.129 -7.330 1.00 42.24 H new ATOM 0 HG3 PRO A 75 18.127 13.552 -6.307 1.00 42.24 H new ATOM 0 HD2 PRO A 75 16.685 11.337 -5.651 1.00 10.44 H new ATOM 0 HD3 PRO A 75 16.148 12.944 -5.204 1.00 10.44 H new ATOM 1080 N LYS A 76 15.773 10.655 -9.124 1.00 31.23 N ATOM 1081 CA LYS A 76 15.959 9.641 -10.155 1.00 11.30 C ATOM 1082 C LYS A 76 14.669 8.861 -10.389 1.00 23.54 C ATOM 1083 O LYS A 76 14.625 7.948 -11.213 1.00 3.22 O ATOM 1084 CB LYS A 76 17.085 8.682 -9.761 1.00 15.42 C ATOM 1085 CG LYS A 76 16.767 7.845 -8.533 1.00 42.12 C ATOM 1086 CD LYS A 76 17.977 7.049 -8.074 1.00 74.21 C ATOM 1087 CE LYS A 76 17.952 6.813 -6.571 1.00 54.14 C ATOM 1088 NZ LYS A 76 19.260 7.136 -5.937 1.00 40.32 N ATOM 0 H LYS A 76 15.707 10.284 -8.176 1.00 31.23 H new ATOM 0 HA LYS A 76 16.230 10.146 -11.082 1.00 11.30 H new ATOM 0 HB2 LYS A 76 17.295 8.018 -10.599 1.00 15.42 H new ATOM 0 HB3 LYS A 76 17.992 9.257 -9.574 1.00 15.42 H new ATOM 0 HG2 LYS A 76 16.430 8.495 -7.726 1.00 42.12 H new ATOM 0 HG3 LYS A 76 15.946 7.164 -8.758 1.00 42.12 H new ATOM 0 HD2 LYS A 76 18.002 6.091 -8.593 1.00 74.21 H new ATOM 0 HD3 LYS A 76 18.888 7.582 -8.345 1.00 74.21 H new ATOM 0 HE2 LYS A 76 17.169 7.424 -6.121 1.00 54.14 H new ATOM 0 HE3 LYS A 76 17.699 5.772 -6.371 1.00 54.14 H new ATOM 0 HZ1 LYS A 76 19.202 6.962 -4.913 1.00 40.32 H new ATOM 0 HZ2 LYS A 76 20.003 6.536 -6.349 1.00 40.32 H new ATOM 0 HZ3 LYS A 76 19.490 8.136 -6.106 1.00 40.32 H new ATOM 1098 N GLY A 77 13.620 9.226 -9.659 1.00 43.43 N ATOM 1099 CA GLY A 77 12.344 8.550 -9.802 1.00 55.05 C ATOM 1100 C GLY A 77 11.895 7.880 -8.518 1.00 74.44 C ATOM 1101 O GLY A 77 12.589 7.938 -7.504 1.00 23.42 O ATOM 0 H GLY A 77 13.631 9.978 -8.970 1.00 43.43 H new ATOM 0 HA2 GLY A 77 11.588 9.270 -10.116 1.00 55.05 H new ATOM 0 HA3 GLY A 77 12.419 7.802 -10.591 1.00 55.05 H new ATOM 1105 N VAL A 78 10.729 7.243 -8.562 1.00 1.40 N ATOM 1106 CA VAL A 78 10.188 6.560 -7.394 1.00 53.51 C ATOM 1107 C VAL A 78 10.076 5.059 -7.637 1.00 23.31 C ATOM 1108 O VAL A 78 9.524 4.622 -8.646 1.00 53.10 O ATOM 1109 CB VAL A 78 8.800 7.111 -7.014 1.00 10.21 C ATOM 1110 CG1 VAL A 78 7.813 6.903 -8.152 1.00 72.40 C ATOM 1111 CG2 VAL A 78 8.299 6.457 -5.735 1.00 32.41 C ATOM 0 H VAL A 78 10.142 7.186 -9.394 1.00 1.40 H new ATOM 0 HA VAL A 78 10.881 6.742 -6.573 1.00 53.51 H new ATOM 0 HB VAL A 78 8.890 8.182 -6.835 1.00 10.21 H new ATOM 0 HG11 VAL A 78 6.839 7.298 -7.865 1.00 72.40 H new ATOM 0 HG12 VAL A 78 8.168 7.423 -9.041 1.00 72.40 H new ATOM 0 HG13 VAL A 78 7.724 5.838 -8.366 1.00 72.40 H new ATOM 0 HG21 VAL A 78 7.318 6.858 -5.482 1.00 32.41 H new ATOM 0 HG22 VAL A 78 8.224 5.380 -5.883 1.00 32.41 H new ATOM 0 HG23 VAL A 78 8.996 6.664 -4.923 1.00 32.41 H new ATOM 1121 N LYS A 79 10.607 4.274 -6.706 1.00 12.30 N ATOM 1122 CA LYS A 79 10.567 2.821 -6.816 1.00 21.23 C ATOM 1123 C LYS A 79 10.139 2.186 -5.497 1.00 13.11 C ATOM 1124 O LYS A 79 10.393 2.733 -4.424 1.00 14.04 O ATOM 1125 CB LYS A 79 11.938 2.282 -7.231 1.00 73.35 C ATOM 1126 CG LYS A 79 12.995 2.411 -6.149 1.00 22.24 C ATOM 1127 CD LYS A 79 14.343 1.892 -6.623 1.00 1.51 C ATOM 1128 CE LYS A 79 15.355 3.019 -6.761 1.00 25.14 C ATOM 1129 NZ LYS A 79 16.153 2.898 -8.012 1.00 4.22 N ATOM 0 H LYS A 79 11.071 4.620 -5.866 1.00 12.30 H new ATOM 0 HA LYS A 79 9.834 2.561 -7.579 1.00 21.23 H new ATOM 0 HB2 LYS A 79 11.838 1.232 -7.506 1.00 73.35 H new ATOM 0 HB3 LYS A 79 12.274 2.814 -8.121 1.00 73.35 H new ATOM 0 HG2 LYS A 79 13.090 3.456 -5.854 1.00 22.24 H new ATOM 0 HG3 LYS A 79 12.681 1.857 -5.264 1.00 22.24 H new ATOM 0 HD2 LYS A 79 14.717 1.150 -5.918 1.00 1.51 H new ATOM 0 HD3 LYS A 79 14.224 1.389 -7.582 1.00 1.51 H new ATOM 0 HE2 LYS A 79 14.835 3.977 -6.753 1.00 25.14 H new ATOM 0 HE3 LYS A 79 16.025 3.013 -5.901 1.00 25.14 H new ATOM 0 HZ1 LYS A 79 16.831 3.685 -8.069 1.00 4.22 H new ATOM 0 HZ2 LYS A 79 16.669 1.995 -8.008 1.00 4.22 H new ATOM 0 HZ3 LYS A 79 15.517 2.929 -8.834 1.00 4.22 H new ATOM 1139 N ILE A 80 9.490 1.030 -5.586 1.00 10.44 N ATOM 1140 CA ILE A 80 9.029 0.321 -4.398 1.00 11.13 C ATOM 1141 C ILE A 80 10.081 -0.667 -3.905 1.00 51.13 C ATOM 1142 O ILE A 80 10.453 -1.602 -4.615 1.00 1.41 O ATOM 1143 CB ILE A 80 7.716 -0.438 -4.670 1.00 21.03 C ATOM 1144 CG1 ILE A 80 6.679 0.498 -5.291 1.00 60.02 C ATOM 1145 CG2 ILE A 80 7.183 -1.050 -3.383 1.00 52.33 C ATOM 1146 CD1 ILE A 80 6.241 0.081 -6.677 1.00 61.42 C ATOM 0 H ILE A 80 9.272 0.565 -6.467 1.00 10.44 H new ATOM 0 HA ILE A 80 8.852 1.074 -3.630 1.00 11.13 H new ATOM 0 HB ILE A 80 7.918 -1.243 -5.376 1.00 21.03 H new ATOM 0 HG12 ILE A 80 5.805 0.542 -4.641 1.00 60.02 H new ATOM 0 HG13 ILE A 80 7.093 1.505 -5.337 1.00 60.02 H new ATOM 0 HG21 ILE A 80 6.255 -1.583 -3.591 1.00 52.33 H new ATOM 0 HG22 ILE A 80 7.919 -1.746 -2.979 1.00 52.33 H new ATOM 0 HG23 ILE A 80 6.993 -0.260 -2.656 1.00 52.33 H new ATOM 0 HD11 ILE A 80 5.505 0.791 -7.055 1.00 61.42 H new ATOM 0 HD12 ILE A 80 7.104 0.065 -7.342 1.00 61.42 H new ATOM 0 HD13 ILE A 80 5.797 -0.914 -6.634 1.00 61.42 H new ATOM 1203 N SER A 85 11.967 -5.351 -9.506 1.00 31.33 N ATOM 1204 CA SER A 85 11.268 -4.617 -10.553 1.00 31.41 C ATOM 1205 C SER A 85 11.731 -3.164 -10.601 1.00 15.41 C ATOM 1206 O SER A 85 12.382 -2.741 -11.555 1.00 45.10 O ATOM 1207 CB SER A 85 9.756 -4.676 -10.324 1.00 51.03 C ATOM 1208 OG SER A 85 9.048 -4.422 -11.525 1.00 41.10 O ATOM 0 HA SER A 85 11.502 -5.086 -11.509 1.00 31.41 H new ATOM 0 HB2 SER A 85 9.482 -5.657 -9.937 1.00 51.03 H new ATOM 0 HB3 SER A 85 9.471 -3.944 -9.568 1.00 51.03 H new ATOM 0 HG SER A 85 8.962 -5.254 -12.036 1.00 41.10 H new ATOM 1213 N GLU A 86 11.388 -2.407 -9.564 1.00 24.21 N ATOM 1214 CA GLU A 86 11.767 -1.001 -9.488 1.00 4.21 C ATOM 1215 C GLU A 86 11.697 -0.343 -10.862 1.00 60.34 C ATOM 1216 O GLU A 86 12.711 0.037 -11.449 1.00 45.13 O ATOM 1217 CB GLU A 86 13.179 -0.861 -8.915 1.00 43.33 C ATOM 1218 CG GLU A 86 14.209 -1.732 -9.614 1.00 0.13 C ATOM 1219 CD GLU A 86 15.626 -1.437 -9.162 1.00 71.44 C ATOM 1220 OE1 GLU A 86 15.999 -1.872 -8.053 1.00 1.13 O ATOM 1221 OE2 GLU A 86 16.362 -0.770 -9.919 1.00 60.42 O ATOM 0 H GLU A 86 10.849 -2.743 -8.766 1.00 24.21 H new ATOM 0 HA GLU A 86 11.062 -0.497 -8.827 1.00 4.21 H new ATOM 0 HB2 GLU A 86 13.489 0.182 -8.986 1.00 43.33 H new ATOM 0 HB3 GLU A 86 13.159 -1.116 -7.855 1.00 43.33 H new ATOM 0 HG2 GLU A 86 13.982 -2.781 -9.423 1.00 0.13 H new ATOM 0 HG3 GLU A 86 14.136 -1.581 -10.691 1.00 0.13 H new ATOM 1226 N PRO A 87 10.473 -0.206 -11.392 1.00 12.30 N ATOM 1227 CA PRO A 87 10.240 0.405 -12.703 1.00 52.10 C ATOM 1228 C PRO A 87 10.512 1.905 -12.701 1.00 4.41 C ATOM 1229 O PRO A 87 10.278 2.590 -13.696 1.00 53.40 O ATOM 1230 CB PRO A 87 8.756 0.132 -12.964 1.00 23.31 C ATOM 1231 CG PRO A 87 8.155 -0.016 -11.609 1.00 53.22 C ATOM 1232 CD PRO A 87 9.219 -0.638 -10.748 1.00 62.43 C ATOM 0 HA PRO A 87 10.904 -0.003 -13.465 1.00 52.10 H new ATOM 0 HB2 PRO A 87 8.294 0.951 -13.515 1.00 23.31 H new ATOM 0 HB3 PRO A 87 8.618 -0.771 -13.559 1.00 23.31 H new ATOM 0 HG2 PRO A 87 7.847 0.951 -11.211 1.00 53.22 H new ATOM 0 HG3 PRO A 87 7.265 -0.644 -11.644 1.00 53.22 H new ATOM 0 HD2 PRO A 87 9.156 -0.290 -9.717 1.00 62.43 H new ATOM 0 HD3 PRO A 87 9.133 -1.724 -10.724 1.00 62.43 H new ATOM 1237 N TYR A 88 11.009 2.409 -11.576 1.00 21.03 N ATOM 1238 CA TYR A 88 11.312 3.829 -11.444 1.00 23.14 C ATOM 1239 C TYR A 88 10.258 4.679 -12.145 1.00 53.22 C ATOM 1240 O TYR A 88 10.463 5.145 -13.266 1.00 4.05 O ATOM 1241 CB TYR A 88 12.695 4.133 -12.022 1.00 65.32 C ATOM 1242 CG TYR A 88 13.013 3.350 -13.275 1.00 64.30 C ATOM 1243 CD1 TYR A 88 12.686 3.847 -14.531 1.00 22.12 C ATOM 1244 CD2 TYR A 88 13.641 2.113 -13.204 1.00 33.35 C ATOM 1245 CE1 TYR A 88 12.974 3.134 -15.679 1.00 41.32 C ATOM 1246 CE2 TYR A 88 13.934 1.392 -14.347 1.00 45.25 C ATOM 1247 CZ TYR A 88 13.598 1.908 -15.582 1.00 23.24 C ATOM 1248 OH TYR A 88 13.888 1.195 -16.723 1.00 43.32 O ATOM 0 H TYR A 88 11.210 1.855 -10.743 1.00 21.03 H new ATOM 0 HA TYR A 88 11.306 4.078 -10.383 1.00 23.14 H new ATOM 0 HB2 TYR A 88 12.761 5.198 -12.243 1.00 65.32 H new ATOM 0 HB3 TYR A 88 13.451 3.917 -11.267 1.00 65.32 H new ATOM 0 HD1 TYR A 88 12.198 4.807 -14.611 1.00 22.12 H new ATOM 0 HD2 TYR A 88 13.905 1.707 -12.239 1.00 33.35 H new ATOM 0 HE1 TYR A 88 12.712 3.535 -16.647 1.00 41.32 H new ATOM 0 HE2 TYR A 88 14.422 0.432 -14.274 1.00 45.25 H new ATOM 0 HH TYR A 88 14.328 0.354 -16.480 1.00 43.32 H new ATOM 1257 N PHE A 89 9.126 4.877 -11.476 1.00 50.35 N ATOM 1258 CA PHE A 89 8.037 5.670 -12.033 1.00 51.22 C ATOM 1259 C PHE A 89 8.235 7.154 -11.734 1.00 23.31 C ATOM 1260 O PHE A 89 9.249 7.552 -11.161 1.00 62.14 O ATOM 1261 CB PHE A 89 6.694 5.200 -11.470 1.00 23.23 C ATOM 1262 CG PHE A 89 6.184 3.941 -12.109 1.00 71.41 C ATOM 1263 CD1 PHE A 89 5.971 3.880 -13.478 1.00 12.51 C ATOM 1264 CD2 PHE A 89 5.917 2.818 -11.343 1.00 72.30 C ATOM 1265 CE1 PHE A 89 5.502 2.722 -14.069 1.00 34.22 C ATOM 1266 CE2 PHE A 89 5.449 1.657 -11.929 1.00 55.13 C ATOM 1267 CZ PHE A 89 5.239 1.610 -13.294 1.00 33.22 C ATOM 0 H PHE A 89 8.940 4.499 -10.547 1.00 50.35 H new ATOM 0 HA PHE A 89 8.038 5.532 -13.114 1.00 51.22 H new ATOM 0 HB2 PHE A 89 6.796 5.038 -10.397 1.00 23.23 H new ATOM 0 HB3 PHE A 89 5.956 5.991 -11.604 1.00 23.23 H new ATOM 0 HD1 PHE A 89 6.174 4.747 -14.089 1.00 12.51 H new ATOM 0 HD2 PHE A 89 6.076 2.850 -10.275 1.00 72.30 H new ATOM 0 HE1 PHE A 89 5.341 2.687 -15.136 1.00 34.22 H new ATOM 0 HE2 PHE A 89 5.248 0.788 -11.321 1.00 55.13 H new ATOM 0 HZ PHE A 89 4.870 0.705 -13.754 1.00 33.22 H new ATOM 1276 N GLY A 90 7.259 7.967 -12.126 1.00 22.05 N ATOM 1277 CA GLY A 90 7.345 9.396 -11.892 1.00 43.11 C ATOM 1278 C GLY A 90 7.170 9.756 -10.430 1.00 13.54 C ATOM 1279 O GLY A 90 8.106 10.224 -9.782 1.00 22.22 O ATOM 0 H GLY A 90 6.410 7.661 -12.602 1.00 22.05 H new ATOM 0 HA2 GLY A 90 8.312 9.760 -12.239 1.00 43.11 H new ATOM 0 HA3 GLY A 90 6.582 9.904 -12.482 1.00 43.11 H new ATOM 1283 N SER A 91 5.966 9.539 -9.909 1.00 32.10 N ATOM 1284 CA SER A 91 5.669 9.848 -8.515 1.00 62.41 C ATOM 1285 C SER A 91 4.791 8.766 -7.894 1.00 45.44 C ATOM 1286 O SER A 91 4.349 7.841 -8.575 1.00 30.50 O ATOM 1287 CB SER A 91 4.975 11.207 -8.410 1.00 1.12 C ATOM 1288 OG SER A 91 3.575 11.080 -8.590 1.00 71.22 O ATOM 0 H SER A 91 5.181 9.150 -10.431 1.00 32.10 H new ATOM 0 HA SER A 91 6.611 9.885 -7.967 1.00 62.41 H new ATOM 0 HB2 SER A 91 5.181 11.650 -7.435 1.00 1.12 H new ATOM 0 HB3 SER A 91 5.381 11.885 -9.160 1.00 1.12 H new ATOM 0 HG SER A 91 3.154 11.962 -8.517 1.00 71.22 H new ATOM 1293 N LEU A 92 4.543 8.890 -6.594 1.00 35.30 N ATOM 1294 CA LEU A 92 3.718 7.922 -5.878 1.00 51.03 C ATOM 1295 C LEU A 92 2.369 7.741 -6.567 1.00 61.31 C ATOM 1296 O LEU A 92 1.831 6.635 -6.619 1.00 2.21 O ATOM 1297 CB LEU A 92 3.508 8.373 -4.431 1.00 64.45 C ATOM 1298 CG LEU A 92 4.588 7.954 -3.434 1.00 2.22 C ATOM 1299 CD1 LEU A 92 5.330 9.173 -2.906 1.00 10.05 C ATOM 1300 CD2 LEU A 92 3.977 7.161 -2.288 1.00 71.31 C ATOM 0 H LEU A 92 4.901 9.650 -6.015 1.00 35.30 H new ATOM 0 HA LEU A 92 4.239 6.964 -5.882 1.00 51.03 H new ATOM 0 HB2 LEU A 92 3.432 9.460 -4.418 1.00 64.45 H new ATOM 0 HB3 LEU A 92 2.551 7.982 -4.085 1.00 64.45 H new ATOM 0 HG LEU A 92 5.304 7.315 -3.951 1.00 2.22 H new ATOM 0 HD11 LEU A 92 6.095 8.855 -2.198 1.00 10.05 H new ATOM 0 HD12 LEU A 92 5.801 9.700 -3.736 1.00 10.05 H new ATOM 0 HD13 LEU A 92 4.627 9.839 -2.406 1.00 10.05 H new ATOM 0 HD21 LEU A 92 4.760 6.871 -1.588 1.00 71.31 H new ATOM 0 HD22 LEU A 92 3.239 7.776 -1.773 1.00 71.31 H new ATOM 0 HD23 LEU A 92 3.493 6.267 -2.681 1.00 71.31 H new ATOM 1311 N SER A 93 1.830 8.834 -7.098 1.00 3.22 N ATOM 1312 CA SER A 93 0.543 8.797 -7.782 1.00 73.43 C ATOM 1313 C SER A 93 0.656 8.050 -9.108 1.00 40.31 C ATOM 1314 O SER A 93 -0.276 7.364 -9.527 1.00 33.11 O ATOM 1315 CB SER A 93 0.030 10.217 -8.026 1.00 10.31 C ATOM 1316 OG SER A 93 -0.816 10.641 -6.971 1.00 44.54 O ATOM 0 H SER A 93 2.265 9.756 -7.068 1.00 3.22 H new ATOM 0 HA SER A 93 -0.165 8.268 -7.145 1.00 73.43 H new ATOM 0 HB2 SER A 93 0.874 10.901 -8.118 1.00 10.31 H new ATOM 0 HB3 SER A 93 -0.514 10.254 -8.970 1.00 10.31 H new ATOM 0 HG SER A 93 -1.130 11.552 -7.149 1.00 44.54 H new ATOM 1321 N ALA A 94 1.803 8.188 -9.763 1.00 61.24 N ATOM 1322 CA ALA A 94 2.039 7.527 -11.040 1.00 20.22 C ATOM 1323 C ALA A 94 2.101 6.012 -10.870 1.00 14.11 C ATOM 1324 O ALA A 94 1.496 5.266 -11.641 1.00 11.24 O ATOM 1325 CB ALA A 94 3.325 8.041 -11.671 1.00 35.42 C ATOM 0 H ALA A 94 2.585 8.752 -9.430 1.00 61.24 H new ATOM 0 HA ALA A 94 1.204 7.760 -11.701 1.00 20.22 H new ATOM 0 HB1 ALA A 94 3.489 7.539 -12.624 1.00 35.42 H new ATOM 0 HB2 ALA A 94 3.245 9.115 -11.836 1.00 35.42 H new ATOM 0 HB3 ALA A 94 4.164 7.838 -11.005 1.00 35.42 H new ATOM 1331 N LEU A 95 2.834 5.564 -9.856 1.00 51.33 N ATOM 1332 CA LEU A 95 2.974 4.138 -9.585 1.00 13.11 C ATOM 1333 C LEU A 95 1.683 3.563 -9.011 1.00 62.24 C ATOM 1334 O LEU A 95 1.362 2.394 -9.226 1.00 75.43 O ATOM 1335 CB LEU A 95 4.130 3.895 -8.614 1.00 31.43 C ATOM 1336 CG LEU A 95 4.101 4.706 -7.318 1.00 73.24 C ATOM 1337 CD1 LEU A 95 3.251 4.006 -6.270 1.00 5.31 C ATOM 1338 CD2 LEU A 95 5.513 4.933 -6.800 1.00 4.43 C ATOM 0 H LEU A 95 3.340 6.168 -9.208 1.00 51.33 H new ATOM 0 HA LEU A 95 3.187 3.633 -10.527 1.00 13.11 H new ATOM 0 HB2 LEU A 95 4.145 2.836 -8.356 1.00 31.43 H new ATOM 0 HB3 LEU A 95 5.065 4.110 -9.132 1.00 31.43 H new ATOM 0 HG LEU A 95 3.653 5.677 -7.528 1.00 73.24 H new ATOM 0 HD11 LEU A 95 3.242 4.598 -5.355 1.00 5.31 H new ATOM 0 HD12 LEU A 95 2.232 3.897 -6.642 1.00 5.31 H new ATOM 0 HD13 LEU A 95 3.669 3.021 -6.061 1.00 5.31 H new ATOM 0 HD21 LEU A 95 5.473 5.512 -5.877 1.00 4.43 H new ATOM 0 HD22 LEU A 95 5.988 3.972 -6.605 1.00 4.43 H new ATOM 0 HD23 LEU A 95 6.091 5.479 -7.546 1.00 4.43 H new ATOM 1349 N VAL A 96 0.945 4.393 -8.281 1.00 22.02 N ATOM 1350 CA VAL A 96 -0.313 3.969 -7.678 1.00 25.23 C ATOM 1351 C VAL A 96 -1.386 3.754 -8.739 1.00 3.11 C ATOM 1352 O VAL A 96 -2.148 2.789 -8.681 1.00 4.14 O ATOM 1353 CB VAL A 96 -0.820 5.000 -6.652 1.00 34.31 C ATOM 1354 CG1 VAL A 96 -2.329 4.896 -6.491 1.00 74.41 C ATOM 1355 CG2 VAL A 96 -0.118 4.811 -5.315 1.00 54.11 C ATOM 0 H VAL A 96 1.197 5.363 -8.093 1.00 22.02 H new ATOM 0 HA VAL A 96 -0.117 3.026 -7.167 1.00 25.23 H new ATOM 0 HB VAL A 96 -0.586 5.999 -7.021 1.00 34.31 H new ATOM 0 HG11 VAL A 96 -2.669 5.632 -5.762 1.00 74.41 H new ATOM 0 HG12 VAL A 96 -2.811 5.086 -7.450 1.00 74.41 H new ATOM 0 HG13 VAL A 96 -2.590 3.896 -6.145 1.00 74.41 H new ATOM 0 HG21 VAL A 96 -0.488 5.548 -4.602 1.00 54.11 H new ATOM 0 HG22 VAL A 96 -0.318 3.808 -4.937 1.00 54.11 H new ATOM 0 HG23 VAL A 96 0.956 4.941 -5.446 1.00 54.11 H new ATOM 1365 N SER A 97 -1.440 4.660 -9.710 1.00 1.54 N ATOM 1366 CA SER A 97 -2.423 4.572 -10.784 1.00 42.14 C ATOM 1367 C SER A 97 -2.079 3.436 -11.742 1.00 21.11 C ATOM 1368 O SER A 97 -2.962 2.720 -12.214 1.00 23.01 O ATOM 1369 CB SER A 97 -2.494 5.896 -11.549 1.00 3.42 C ATOM 1370 OG SER A 97 -1.349 6.077 -12.363 1.00 1.53 O ATOM 0 H SER A 97 -0.815 5.463 -9.775 1.00 1.54 H new ATOM 0 HA SER A 97 -3.396 4.366 -10.338 1.00 42.14 H new ATOM 0 HB2 SER A 97 -3.391 5.914 -12.168 1.00 3.42 H new ATOM 0 HB3 SER A 97 -2.577 6.723 -10.844 1.00 3.42 H new ATOM 0 HG SER A 97 -0.549 5.805 -11.867 1.00 1.53 H new ATOM 1375 N GLN A 98 -0.791 3.279 -12.026 1.00 22.21 N ATOM 1376 CA GLN A 98 -0.329 2.231 -12.929 1.00 35.00 C ATOM 1377 C GLN A 98 -0.516 0.853 -12.304 1.00 25.10 C ATOM 1378 O GLN A 98 -0.734 -0.135 -13.006 1.00 4.12 O ATOM 1379 CB GLN A 98 1.142 2.447 -13.286 1.00 60.23 C ATOM 1380 CG GLN A 98 1.350 3.054 -14.665 1.00 23.41 C ATOM 1381 CD GLN A 98 0.857 2.153 -15.780 1.00 22.10 C ATOM 1382 OE1 GLN A 98 0.910 0.927 -15.673 1.00 2.45 O ATOM 1383 NE2 GLN A 98 0.374 2.756 -16.859 1.00 55.00 N ATOM 0 H GLN A 98 -0.048 3.864 -11.644 1.00 22.21 H new ATOM 0 HA GLN A 98 -0.927 2.281 -13.839 1.00 35.00 H new ATOM 0 HB2 GLN A 98 1.597 3.098 -12.539 1.00 60.23 H new ATOM 0 HB3 GLN A 98 1.664 1.491 -13.236 1.00 60.23 H new ATOM 0 HG2 GLN A 98 0.830 4.010 -14.719 1.00 23.41 H new ATOM 0 HG3 GLN A 98 2.410 3.259 -14.811 1.00 23.41 H new ATOM 0 HE21 GLN A 98 0.349 3.775 -16.906 1.00 55.00 H new ATOM 0 HE22 GLN A 98 0.028 2.201 -17.642 1.00 55.00 H new ATOM 1390 N HIS A 99 -0.427 0.793 -10.979 1.00 11.41 N ATOM 1391 CA HIS A 99 -0.587 -0.465 -10.258 1.00 2.22 C ATOM 1392 C HIS A 99 -1.958 -1.077 -10.529 1.00 62.51 C ATOM 1393 O HIS A 99 -2.159 -2.278 -10.347 1.00 40.14 O ATOM 1394 CB HIS A 99 -0.403 -0.244 -8.756 1.00 70.11 C ATOM 1395 CG HIS A 99 0.950 -0.643 -8.253 1.00 2.34 C ATOM 1396 ND1 HIS A 99 1.188 -1.010 -6.945 1.00 4.12 N ATOM 1397 CD2 HIS A 99 2.140 -0.733 -8.890 1.00 64.14 C ATOM 1398 CE1 HIS A 99 2.467 -1.307 -6.800 1.00 12.34 C ATOM 1399 NE2 HIS A 99 3.067 -1.147 -7.965 1.00 1.10 N ATOM 0 H HIS A 99 -0.245 1.600 -10.383 1.00 11.41 H new ATOM 0 HA HIS A 99 0.177 -1.157 -10.612 1.00 2.22 H new ATOM 0 HB2 HIS A 99 -0.570 0.809 -8.529 1.00 70.11 H new ATOM 0 HB3 HIS A 99 -1.163 -0.810 -8.218 1.00 70.11 H new ATOM 0 HD2 HIS A 99 2.326 -0.519 -9.932 1.00 64.14 H new ATOM 0 HE1 HIS A 99 2.941 -1.626 -5.884 1.00 12.34 H new ATOM 0 HE2 HIS A 99 4.058 -1.305 -8.148 1.00 1.10 H new ATOM 1406 N SER A 100 -2.897 -0.243 -10.967 1.00 30.55 N ATOM 1407 CA SER A 100 -4.250 -0.702 -11.259 1.00 31.43 C ATOM 1408 C SER A 100 -4.377 -1.119 -12.722 1.00 15.43 C ATOM 1409 O SER A 100 -5.477 -1.380 -13.210 1.00 53.55 O ATOM 1410 CB SER A 100 -5.264 0.397 -10.940 1.00 12.04 C ATOM 1411 OG SER A 100 -6.591 -0.079 -11.076 1.00 12.54 O ATOM 0 H SER A 100 -2.745 0.753 -11.127 1.00 30.55 H new ATOM 0 HA SER A 100 -4.457 -1.569 -10.632 1.00 31.43 H new ATOM 0 HB2 SER A 100 -5.106 0.758 -9.924 1.00 12.04 H new ATOM 0 HB3 SER A 100 -5.108 1.245 -11.607 1.00 12.04 H new ATOM 0 HG SER A 100 -6.872 -0.509 -10.241 1.00 12.54 H new ATOM 1416 N ILE A 101 -3.245 -1.178 -13.414 1.00 35.42 N ATOM 1417 CA ILE A 101 -3.229 -1.563 -14.820 1.00 13.33 C ATOM 1418 C ILE A 101 -2.164 -2.621 -15.089 1.00 20.11 C ATOM 1419 O ILE A 101 -2.374 -3.542 -15.879 1.00 24.03 O ATOM 1420 CB ILE A 101 -2.974 -0.350 -15.733 1.00 54.11 C ATOM 1421 CG1 ILE A 101 -3.991 0.757 -15.444 1.00 31.25 C ATOM 1422 CG2 ILE A 101 -3.038 -0.765 -17.196 1.00 22.25 C ATOM 1423 CD1 ILE A 101 -3.751 2.021 -16.239 1.00 62.34 C ATOM 0 H ILE A 101 -2.327 -0.964 -13.024 1.00 35.42 H new ATOM 0 HA ILE A 101 -4.212 -1.976 -15.045 1.00 13.33 H new ATOM 0 HB ILE A 101 -1.976 0.036 -15.528 1.00 54.11 H new ATOM 0 HG12 ILE A 101 -4.992 0.385 -15.662 1.00 31.25 H new ATOM 0 HG13 ILE A 101 -3.964 0.996 -14.381 1.00 31.25 H new ATOM 0 HG21 ILE A 101 -2.856 0.104 -17.829 1.00 22.25 H new ATOM 0 HG22 ILE A 101 -2.280 -1.523 -17.393 1.00 22.25 H new ATOM 0 HG23 ILE A 101 -4.025 -1.173 -17.416 1.00 22.25 H new ATOM 0 HD11 ILE A 101 -4.509 2.761 -15.983 1.00 62.34 H new ATOM 0 HD12 ILE A 101 -2.763 2.417 -16.003 1.00 62.34 H new ATOM 0 HD13 ILE A 101 -3.808 1.797 -17.304 1.00 62.34 H new ATOM 1434 N SER A 102 -1.021 -2.482 -14.425 1.00 74.41 N ATOM 1435 CA SER A 102 0.079 -3.426 -14.594 1.00 44.34 C ATOM 1436 C SER A 102 0.762 -3.707 -13.258 1.00 54.13 C ATOM 1437 O SER A 102 1.834 -3.182 -12.958 1.00 62.32 O ATOM 1438 CB SER A 102 1.098 -2.878 -15.595 1.00 31.43 C ATOM 1439 OG SER A 102 0.452 -2.305 -16.719 1.00 42.31 O ATOM 0 H SER A 102 -0.832 -1.727 -13.766 1.00 74.41 H new ATOM 0 HA SER A 102 -0.330 -4.361 -14.977 1.00 44.34 H new ATOM 0 HB2 SER A 102 1.723 -2.128 -15.109 1.00 31.43 H new ATOM 0 HB3 SER A 102 1.759 -3.681 -15.922 1.00 31.43 H new ATOM 0 HG SER A 102 1.125 -1.961 -17.343 1.00 42.31 H new ATOM 1444 N PRO A 103 0.127 -4.556 -12.438 1.00 3.31 N ATOM 1445 CA PRO A 103 0.654 -4.929 -11.121 1.00 51.23 C ATOM 1446 C PRO A 103 1.899 -5.802 -11.222 1.00 1.24 C ATOM 1447 O PRO A 103 1.931 -6.769 -11.984 1.00 52.41 O ATOM 1448 CB PRO A 103 -0.498 -5.710 -10.486 1.00 40.40 C ATOM 1449 CG PRO A 103 -1.274 -6.246 -11.639 1.00 75.03 C ATOM 1450 CD PRO A 103 -1.155 -5.219 -12.732 1.00 12.33 C ATOM 0 HA PRO A 103 0.964 -4.058 -10.544 1.00 51.23 H new ATOM 0 HB2 PRO A 103 -0.128 -6.514 -9.850 1.00 40.40 H new ATOM 0 HB3 PRO A 103 -1.115 -5.066 -9.859 1.00 40.40 H new ATOM 0 HG2 PRO A 103 -0.877 -7.208 -11.963 1.00 75.03 H new ATOM 0 HG3 PRO A 103 -2.317 -6.407 -11.366 1.00 75.03 H new ATOM 0 HD2 PRO A 103 -1.151 -5.681 -13.719 1.00 12.33 H new ATOM 0 HD3 PRO A 103 -1.986 -4.514 -12.713 1.00 12.33 H new ATOM 1455 N ILE A 104 2.923 -5.458 -10.448 1.00 41.41 N ATOM 1456 CA ILE A 104 4.170 -6.213 -10.449 1.00 40.25 C ATOM 1457 C ILE A 104 4.272 -7.108 -9.218 1.00 73.45 C ATOM 1458 O ILE A 104 4.152 -8.329 -9.315 1.00 65.33 O ATOM 1459 CB ILE A 104 5.394 -5.279 -10.494 1.00 1.51 C ATOM 1460 CG1 ILE A 104 5.327 -4.374 -11.726 1.00 25.43 C ATOM 1461 CG2 ILE A 104 6.680 -6.091 -10.494 1.00 43.15 C ATOM 1462 CD1 ILE A 104 6.385 -3.292 -11.739 1.00 0.31 C ATOM 0 H ILE A 104 2.913 -4.661 -9.812 1.00 41.41 H new ATOM 0 HA ILE A 104 4.163 -6.832 -11.346 1.00 40.25 H new ATOM 0 HB ILE A 104 5.386 -4.650 -9.604 1.00 1.51 H new ATOM 0 HG12 ILE A 104 5.433 -4.985 -12.622 1.00 25.43 H new ATOM 0 HG13 ILE A 104 4.342 -3.909 -11.772 1.00 25.43 H new ATOM 0 HG21 ILE A 104 7.536 -5.417 -10.526 1.00 43.15 H new ATOM 0 HG22 ILE A 104 6.728 -6.696 -9.589 1.00 43.15 H new ATOM 0 HG23 ILE A 104 6.699 -6.743 -11.367 1.00 43.15 H new ATOM 0 HD11 ILE A 104 6.278 -2.689 -12.641 1.00 0.31 H new ATOM 0 HD12 ILE A 104 6.267 -2.657 -10.861 1.00 0.31 H new ATOM 0 HD13 ILE A 104 7.374 -3.750 -11.725 1.00 0.31 H new ATOM 1473 N SER A 105 4.492 -6.491 -8.062 1.00 32.03 N ATOM 1474 CA SER A 105 4.612 -7.232 -6.812 1.00 3.51 C ATOM 1475 C SER A 105 3.265 -7.319 -6.100 1.00 74.12 C ATOM 1476 O SER A 105 3.186 -7.191 -4.878 1.00 72.12 O ATOM 1477 CB SER A 105 5.642 -6.567 -5.898 1.00 23.23 C ATOM 1478 OG SER A 105 5.774 -7.276 -4.677 1.00 32.51 O ATOM 0 H SER A 105 4.591 -5.480 -7.965 1.00 32.03 H new ATOM 0 HA SER A 105 4.944 -8.243 -7.048 1.00 3.51 H new ATOM 0 HB2 SER A 105 6.607 -6.524 -6.403 1.00 23.23 H new ATOM 0 HB3 SER A 105 5.342 -5.539 -5.695 1.00 23.23 H new ATOM 0 HG SER A 105 4.886 -7.518 -4.342 1.00 32.51 H new ATOM 1483 N LEU A 106 2.208 -7.537 -6.875 1.00 13.34 N ATOM 1484 CA LEU A 106 0.862 -7.642 -6.320 1.00 1.32 C ATOM 1485 C LEU A 106 0.086 -8.775 -6.984 1.00 43.15 C ATOM 1486 O LEU A 106 0.348 -9.153 -8.126 1.00 40.23 O ATOM 1487 CB LEU A 106 0.112 -6.321 -6.498 1.00 52.02 C ATOM 1488 CG LEU A 106 0.723 -5.103 -5.805 1.00 73.15 C ATOM 1489 CD1 LEU A 106 -0.071 -3.848 -6.132 1.00 70.11 C ATOM 1490 CD2 LEU A 106 0.784 -5.321 -4.301 1.00 44.43 C ATOM 0 H LEU A 106 2.256 -7.644 -7.888 1.00 13.34 H new ATOM 0 HA LEU A 106 0.950 -7.862 -5.256 1.00 1.32 H new ATOM 0 HB2 LEU A 106 0.039 -6.109 -7.565 1.00 52.02 H new ATOM 0 HB3 LEU A 106 -0.905 -6.451 -6.129 1.00 52.02 H new ATOM 0 HG LEU A 106 1.740 -4.971 -6.175 1.00 73.15 H new ATOM 0 HD11 LEU A 106 0.379 -2.992 -5.630 1.00 70.11 H new ATOM 0 HD12 LEU A 106 -0.063 -3.683 -7.209 1.00 70.11 H new ATOM 0 HD13 LEU A 106 -1.099 -3.969 -5.792 1.00 70.11 H new ATOM 0 HD21 LEU A 106 1.222 -4.444 -3.824 1.00 44.43 H new ATOM 0 HD22 LEU A 106 -0.223 -5.480 -3.915 1.00 44.43 H new ATOM 0 HD23 LEU A 106 1.397 -6.196 -4.085 1.00 44.43 H new ATOM 1501 N PRO A 107 -0.894 -9.328 -6.255 1.00 51.22 N ATOM 1502 CA PRO A 107 -1.731 -10.423 -6.754 1.00 43.42 C ATOM 1503 C PRO A 107 -2.677 -9.971 -7.862 1.00 31.34 C ATOM 1504 O PRO A 107 -2.993 -10.739 -8.772 1.00 22.40 O ATOM 1505 CB PRO A 107 -2.523 -10.855 -5.518 1.00 31.25 C ATOM 1506 CG PRO A 107 -2.560 -9.647 -4.648 1.00 71.22 C ATOM 1507 CD PRO A 107 -1.262 -8.926 -4.887 1.00 25.22 C ATOM 0 HA PRO A 107 -1.136 -11.222 -7.197 1.00 43.42 H new ATOM 0 HB2 PRO A 107 -3.528 -11.180 -5.786 1.00 31.25 H new ATOM 0 HB3 PRO A 107 -2.041 -11.692 -5.012 1.00 31.25 H new ATOM 0 HG2 PRO A 107 -3.411 -9.013 -4.897 1.00 71.22 H new ATOM 0 HG3 PRO A 107 -2.665 -9.924 -3.599 1.00 71.22 H new ATOM 0 HD2 PRO A 107 -1.381 -7.846 -4.804 1.00 25.22 H new ATOM 0 HD3 PRO A 107 -0.501 -9.219 -4.164 1.00 25.22 H new ATOM 1512 N CYS A 108 -3.124 -8.724 -7.778 1.00 75.05 N ATOM 1513 CA CYS A 108 -4.035 -8.170 -8.775 1.00 23.40 C ATOM 1514 C CYS A 108 -3.844 -6.664 -8.908 1.00 44.55 C ATOM 1515 O CYS A 108 -3.040 -6.064 -8.194 1.00 65.31 O ATOM 1516 CB CYS A 108 -5.484 -8.482 -8.400 1.00 12.44 C ATOM 1517 SG CYS A 108 -6.473 -9.144 -9.761 1.00 14.31 S ATOM 0 H CYS A 108 -2.872 -8.077 -7.031 1.00 75.05 H new ATOM 0 HA CYS A 108 -3.808 -8.632 -9.736 1.00 23.40 H new ATOM 0 HB2 CYS A 108 -5.489 -9.199 -7.579 1.00 12.44 H new ATOM 0 HB3 CYS A 108 -5.957 -7.572 -8.031 1.00 12.44 H new ATOM 0 HG CYS A 108 -7.682 -9.378 -9.345 1.00 14.31 H new ATOM 1522 N CYS A 109 -4.587 -6.057 -9.827 1.00 2.21 N ATOM 1523 CA CYS A 109 -4.498 -4.619 -10.056 1.00 12.14 C ATOM 1524 C CYS A 109 -5.046 -3.843 -8.862 1.00 32.22 C ATOM 1525 O CYS A 109 -6.158 -4.100 -8.398 1.00 24.43 O ATOM 1526 CB CYS A 109 -5.263 -4.236 -11.324 1.00 45.31 C ATOM 1527 SG CYS A 109 -4.897 -5.281 -12.753 1.00 23.32 S ATOM 0 H CYS A 109 -5.258 -6.538 -10.426 1.00 2.21 H new ATOM 0 HA CYS A 109 -3.447 -4.360 -10.182 1.00 12.14 H new ATOM 0 HB2 CYS A 109 -6.332 -4.283 -11.118 1.00 45.31 H new ATOM 0 HB3 CYS A 109 -5.032 -3.201 -11.576 1.00 45.31 H new ATOM 0 HG CYS A 109 -5.594 -4.879 -13.774 1.00 23.32 H new ATOM 1532 N LEU A 110 -4.258 -2.895 -8.369 1.00 20.21 N ATOM 1533 CA LEU A 110 -4.663 -2.081 -7.227 1.00 34.54 C ATOM 1534 C LEU A 110 -6.019 -1.429 -7.476 1.00 33.03 C ATOM 1535 O LEU A 110 -6.277 -0.907 -8.561 1.00 2.31 O ATOM 1536 CB LEU A 110 -3.612 -1.006 -6.943 1.00 30.23 C ATOM 1537 CG LEU A 110 -3.920 -0.056 -5.787 1.00 41.33 C ATOM 1538 CD1 LEU A 110 -2.750 0.001 -4.816 1.00 51.45 C ATOM 1539 CD2 LEU A 110 -4.248 1.335 -6.312 1.00 21.21 C ATOM 0 H LEU A 110 -3.335 -2.670 -8.741 1.00 20.21 H new ATOM 0 HA LEU A 110 -4.749 -2.735 -6.359 1.00 34.54 H new ATOM 0 HB2 LEU A 110 -2.662 -1.500 -6.738 1.00 30.23 H new ATOM 0 HB3 LEU A 110 -3.474 -0.413 -7.847 1.00 30.23 H new ATOM 0 HG LEU A 110 -4.791 -0.436 -5.253 1.00 41.33 H new ATOM 0 HD11 LEU A 110 -2.988 0.683 -3.999 1.00 51.45 H new ATOM 0 HD12 LEU A 110 -2.562 -0.995 -4.414 1.00 51.45 H new ATOM 0 HD13 LEU A 110 -1.861 0.356 -5.338 1.00 51.45 H new ATOM 0 HD21 LEU A 110 -4.465 1.998 -5.475 1.00 21.21 H new ATOM 0 HD22 LEU A 110 -3.397 1.723 -6.871 1.00 21.21 H new ATOM 0 HD23 LEU A 110 -5.118 1.281 -6.967 1.00 21.21 H new ATOM 1550 N ARG A 111 -6.880 -1.463 -6.464 1.00 74.12 N ATOM 1551 CA ARG A 111 -8.210 -0.874 -6.574 1.00 22.31 C ATOM 1552 C ARG A 111 -8.172 0.618 -6.255 1.00 24.43 C ATOM 1553 O ARG A 111 -7.725 1.021 -5.181 1.00 73.13 O ATOM 1554 CB ARG A 111 -9.184 -1.583 -5.631 1.00 34.44 C ATOM 1555 CG ARG A 111 -9.434 -3.037 -5.996 1.00 31.32 C ATOM 1556 CD ARG A 111 -9.978 -3.172 -7.409 1.00 12.21 C ATOM 1557 NE ARG A 111 -10.883 -4.311 -7.541 1.00 21.21 N ATOM 1558 CZ ARG A 111 -11.445 -4.674 -8.690 1.00 3.25 C ATOM 1559 NH1 ARG A 111 -11.195 -3.991 -9.799 1.00 10.44 N ATOM 1560 NH2 ARG A 111 -12.257 -5.722 -8.729 1.00 33.51 N ATOM 0 H ARG A 111 -6.681 -1.891 -5.560 1.00 74.12 H new ATOM 0 HA ARG A 111 -8.552 -1.000 -7.601 1.00 22.31 H new ATOM 0 HB2 ARG A 111 -8.793 -1.534 -4.615 1.00 34.44 H new ATOM 0 HB3 ARG A 111 -10.134 -1.048 -5.633 1.00 34.44 H new ATOM 0 HG2 ARG A 111 -8.505 -3.600 -5.908 1.00 31.32 H new ATOM 0 HG3 ARG A 111 -10.140 -3.474 -5.290 1.00 31.32 H new ATOM 0 HD2 ARG A 111 -10.504 -2.258 -7.684 1.00 12.21 H new ATOM 0 HD3 ARG A 111 -9.149 -3.285 -8.107 1.00 12.21 H new ATOM 0 HE ARG A 111 -11.095 -4.858 -6.706 1.00 21.21 H new ATOM 0 HH11 ARG A 111 -10.570 -3.185 -9.772 1.00 10.44 H new ATOM 0 HH12 ARG A 111 -11.627 -4.272 -10.679 1.00 10.44 H new ATOM 0 HH21 ARG A 111 -12.450 -6.249 -7.878 1.00 33.51 H new ATOM 0 HH22 ARG A 111 -12.688 -6.001 -9.610 1.00 33.51 H new