USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 779 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 20 LYS NZ :NH3+ -125:sc= -1.09! (180deg=-2.26!) USER MOD Set 1.2: A 36 MET CE :methyl -134:sc= -0.0294 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -150:sc= 0.181 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= -0.852 (180deg=-1.09) USER MOD Single : A 46 MET CE :methyl -151:sc= -0.318 (180deg=-1.55!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -3.45! C(o=-3.5!,f=-11!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 69 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.037) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 83 ASN : amide:sc= -7.23! K(o=-7.2!,f=-2.1) USER MOD Single : A 88 ASN : amide:sc= -0.241 K(o=-0.24,f=-4.3!) USER MOD Single : A 91 THR OG1 : rot -90:sc= 1.2 USER MOD Single : A 92 GLN : amide:sc= -5.49! C(o=-5.5!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 47.216 8.016 -11.315 1.00 0.00 N ATOM 2 CA PRO A 1 48.094 6.939 -11.833 1.00 0.00 C ATOM 3 C PRO A 1 48.662 6.134 -10.668 1.00 0.00 C ATOM 4 O PRO A 1 49.659 5.427 -10.818 1.00 0.00 O ATOM 5 CB PRO A 1 49.223 7.585 -12.629 1.00 0.00 C ATOM 6 CG PRO A 1 49.142 9.042 -12.301 1.00 0.00 C ATOM 7 CD PRO A 1 47.707 9.325 -11.829 1.00 0.00 C ATOM 0 H2 PRO A 1 47.219 8.014 -10.295 1.00 0.00 H new ATOM 0 H3 PRO A 1 46.253 7.859 -11.611 1.00 0.00 H new ATOM 0 HA PRO A 1 47.529 6.263 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 1 50.191 7.170 -12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 1 49.100 7.414 -13.698 1.00 0.00 H new ATOM 0 HG2 PRO A 1 49.860 9.301 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 1 49.386 9.647 -13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 1 47.689 10.088 -11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 1 47.085 9.688 -12.647 1.00 0.00 H new ATOM 17 N GLN A 2 48.021 6.244 -9.510 1.00 0.00 N ATOM 18 CA GLN A 2 48.470 5.517 -8.328 1.00 0.00 C ATOM 19 C GLN A 2 48.444 4.016 -8.586 1.00 0.00 C ATOM 20 O GLN A 2 49.261 3.269 -8.047 1.00 0.00 O ATOM 21 CB GLN A 2 47.576 5.850 -7.132 1.00 0.00 C ATOM 22 CG GLN A 2 47.744 7.327 -6.770 1.00 0.00 C ATOM 23 CD GLN A 2 46.834 7.685 -5.601 1.00 0.00 C ATOM 24 OE1 GLN A 2 45.910 6.937 -5.280 1.00 0.00 O ATOM 25 NE2 GLN A 2 47.040 8.791 -4.942 1.00 0.00 N ATOM 0 H GLN A 2 47.195 6.825 -9.364 1.00 0.00 H new ATOM 0 HA GLN A 2 49.493 5.820 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 2 46.534 5.639 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 2 47.840 5.223 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 2 48.782 7.530 -6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 2 47.505 7.950 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 2 47.806 9.409 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 2 46.435 9.038 -4.159 1.00 0.00 H new ATOM 34 N ILE A 3 47.502 3.579 -9.415 1.00 0.00 N ATOM 35 CA ILE A 3 47.383 2.163 -9.738 1.00 0.00 C ATOM 36 C ILE A 3 48.729 1.615 -10.195 1.00 0.00 C ATOM 37 O ILE A 3 49.108 0.498 -9.843 1.00 0.00 O ATOM 38 CB ILE A 3 46.347 1.964 -10.845 1.00 0.00 C ATOM 39 CG1 ILE A 3 44.981 2.456 -10.356 1.00 0.00 C ATOM 40 CG2 ILE A 3 46.260 0.477 -11.199 1.00 0.00 C ATOM 41 CD1 ILE A 3 43.977 2.415 -11.510 1.00 0.00 C ATOM 0 H ILE A 3 46.816 4.179 -9.872 1.00 0.00 H new ATOM 0 HA ILE A 3 47.063 1.627 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 3 46.642 2.530 -11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 3 44.631 1.831 -9.534 1.00 0.00 H new ATOM 0 HG13 ILE A 3 45.066 3.472 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 3 45.522 0.333 -11.988 1.00 0.00 H new ATOM 0 HG22 ILE A 3 47.233 0.128 -11.544 1.00 0.00 H new ATOM 0 HG23 ILE A 3 45.963 -0.090 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 3 43.006 2.765 -11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 3 44.325 3.058 -12.318 1.00 0.00 H new ATOM 0 HD13 ILE A 3 43.884 1.392 -11.875 1.00 0.00 H new ATOM 53 N THR A 4 49.450 2.415 -10.972 1.00 0.00 N ATOM 54 CA THR A 4 50.759 2.009 -11.465 1.00 0.00 C ATOM 55 C THR A 4 51.823 2.994 -10.997 1.00 0.00 C ATOM 56 O THR A 4 51.623 4.208 -11.048 1.00 0.00 O ATOM 57 CB THR A 4 50.747 1.950 -12.994 1.00 0.00 C ATOM 58 OG1 THR A 4 49.700 1.092 -13.425 1.00 0.00 O ATOM 59 CG2 THR A 4 52.088 1.414 -13.496 1.00 0.00 C ATOM 0 H THR A 4 49.152 3.343 -11.272 1.00 0.00 H new ATOM 0 HA THR A 4 50.991 1.020 -11.071 1.00 0.00 H new ATOM 0 HB THR A 4 50.585 2.950 -13.395 1.00 0.00 H new ATOM 0 HG1 THR A 4 49.690 1.055 -14.404 1.00 0.00 H new ATOM 0 HG21 THR A 4 52.078 1.372 -14.585 1.00 0.00 H new ATOM 0 HG22 THR A 4 52.890 2.073 -13.165 1.00 0.00 H new ATOM 0 HG23 THR A 4 52.253 0.413 -13.096 1.00 0.00 H new ATOM 67 N LEU A 5 52.950 2.468 -10.534 1.00 0.00 N ATOM 68 CA LEU A 5 54.033 3.319 -10.054 1.00 0.00 C ATOM 69 C LEU A 5 55.056 3.560 -11.157 1.00 0.00 C ATOM 70 O LEU A 5 55.570 2.616 -11.757 1.00 0.00 O ATOM 71 CB LEU A 5 54.721 2.667 -8.852 1.00 0.00 C ATOM 72 CG LEU A 5 54.472 1.158 -8.872 1.00 0.00 C ATOM 73 CD1 LEU A 5 55.543 0.455 -8.037 1.00 0.00 C ATOM 74 CD2 LEU A 5 53.091 0.861 -8.282 1.00 0.00 C ATOM 0 H LEU A 5 53.138 1.467 -10.480 1.00 0.00 H new ATOM 0 HA LEU A 5 53.607 4.276 -9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 5 55.792 2.869 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 5 54.340 3.096 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 5 54.514 0.796 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 5 55.367 -0.621 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 5 56.527 0.667 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 5 55.499 0.817 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 5 52.913 -0.214 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 5 53.049 1.222 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 5 52.326 1.363 -8.875 1.00 0.00 H new ATOM 86 N TRP A 6 55.350 4.830 -11.417 1.00 0.00 N ATOM 87 CA TRP A 6 56.317 5.181 -12.450 1.00 0.00 C ATOM 88 C TRP A 6 57.666 4.535 -12.154 1.00 0.00 C ATOM 89 O TRP A 6 58.354 4.068 -13.062 1.00 0.00 O ATOM 90 CB TRP A 6 56.483 6.701 -12.517 1.00 0.00 C ATOM 91 CG TRP A 6 55.206 7.322 -12.985 1.00 0.00 C ATOM 92 CD1 TRP A 6 54.305 7.941 -12.188 1.00 0.00 C ATOM 93 CD2 TRP A 6 54.675 7.397 -14.339 1.00 0.00 C ATOM 94 NE1 TRP A 6 53.255 8.391 -12.966 1.00 0.00 N ATOM 95 CE2 TRP A 6 53.436 8.080 -14.299 1.00 0.00 C ATOM 96 CE3 TRP A 6 55.143 6.943 -15.585 1.00 0.00 C ATOM 97 CZ2 TRP A 6 52.688 8.305 -15.456 1.00 0.00 C ATOM 98 CZ3 TRP A 6 54.392 7.168 -16.751 1.00 0.00 C ATOM 99 CH2 TRP A 6 53.168 7.847 -16.686 1.00 0.00 C ATOM 0 H TRP A 6 54.937 5.626 -10.932 1.00 0.00 H new ATOM 0 HA TRP A 6 55.949 4.814 -13.408 1.00 0.00 H new ATOM 0 HB2 TRP A 6 56.751 7.092 -11.536 1.00 0.00 H new ATOM 0 HB3 TRP A 6 57.296 6.959 -13.196 1.00 0.00 H new ATOM 0 HD1 TRP A 6 54.392 8.064 -11.119 1.00 0.00 H new ATOM 0 HE1 TRP A 6 52.445 8.892 -12.600 1.00 0.00 H new ATOM 0 HE3 TRP A 6 56.085 6.418 -15.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 51.745 8.829 -15.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 54.760 6.815 -17.703 1.00 0.00 H new ATOM 0 HH2 TRP A 6 52.596 8.016 -17.586 1.00 0.00 H new ATOM 110 N LYS A 7 58.032 4.509 -10.875 1.00 0.00 N ATOM 111 CA LYS A 7 59.300 3.919 -10.457 1.00 0.00 C ATOM 112 C LYS A 7 60.470 4.567 -11.194 1.00 0.00 C ATOM 113 O LYS A 7 60.383 4.863 -12.385 1.00 0.00 O ATOM 114 CB LYS A 7 59.292 2.413 -10.727 1.00 0.00 C ATOM 115 CG LYS A 7 60.530 1.777 -10.092 1.00 0.00 C ATOM 116 CD LYS A 7 60.542 0.275 -10.381 1.00 0.00 C ATOM 117 CE LYS A 7 61.675 -0.388 -9.593 1.00 0.00 C ATOM 118 NZ LYS A 7 61.132 -0.964 -8.330 1.00 0.00 N ATOM 0 H LYS A 7 57.470 4.888 -10.113 1.00 0.00 H new ATOM 0 HA LYS A 7 59.422 4.095 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 7 58.388 1.964 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 7 59.283 2.225 -11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 7 61.433 2.241 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 7 60.529 1.950 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 59.585 -0.167 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 7 60.677 0.100 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 62.139 -1.171 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 7 62.451 0.343 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 61.902 -1.414 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 60.709 -0.206 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 60.406 -1.674 -8.556 1.00 0.00 H new ATOM 132 N ARG A 8 61.565 4.784 -10.475 1.00 0.00 N ATOM 133 CA ARG A 8 62.748 5.397 -11.069 1.00 0.00 C ATOM 134 C ARG A 8 63.253 4.548 -12.238 1.00 0.00 C ATOM 135 O ARG A 8 63.023 3.340 -12.276 1.00 0.00 O ATOM 136 CB ARG A 8 63.853 5.531 -10.017 1.00 0.00 C ATOM 137 CG ARG A 8 63.232 5.578 -8.616 1.00 0.00 C ATOM 138 CD ARG A 8 62.945 4.155 -8.121 1.00 0.00 C ATOM 139 NE ARG A 8 61.600 4.063 -7.546 1.00 0.00 N ATOM 140 CZ ARG A 8 61.108 5.001 -6.737 1.00 0.00 C ATOM 141 NH1 ARG A 8 61.846 6.010 -6.366 1.00 0.00 N ATOM 142 NH2 ARG A 8 59.884 4.896 -6.294 1.00 0.00 N ATOM 0 H ARG A 8 61.659 4.547 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 8 62.480 6.387 -11.437 1.00 0.00 H new ATOM 0 HB2 ARG A 8 64.543 4.690 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 8 64.433 6.436 -10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 8 63.909 6.082 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 8 62.309 6.157 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 8 63.040 3.452 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 8 63.685 3.870 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 8 61.021 3.254 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 8 62.808 6.086 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 8 61.461 6.723 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 8 59.309 4.099 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.503 5.611 -5.675 1.00 0.00 H new ATOM 156 N PRO A 9 63.933 5.147 -13.186 1.00 0.00 N ATOM 157 CA PRO A 9 64.471 4.415 -14.367 1.00 0.00 C ATOM 158 C PRO A 9 65.087 3.071 -13.985 1.00 0.00 C ATOM 159 O PRO A 9 65.580 2.897 -12.871 1.00 0.00 O ATOM 160 CB PRO A 9 65.536 5.360 -14.919 1.00 0.00 C ATOM 161 CG PRO A 9 65.104 6.731 -14.513 1.00 0.00 C ATOM 162 CD PRO A 9 64.261 6.584 -13.243 1.00 0.00 C ATOM 0 HA PRO A 9 63.689 4.172 -15.087 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.519 5.122 -14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 9 65.610 5.277 -16.003 1.00 0.00 H new ATOM 0 HG2 PRO A 9 65.969 7.368 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 9 64.524 7.202 -15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.815 6.901 -12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 9 63.360 7.196 -13.291 1.00 0.00 H new ATOM 170 N LEU A 10 65.053 2.125 -14.919 1.00 0.00 N ATOM 171 CA LEU A 10 65.608 0.798 -14.674 1.00 0.00 C ATOM 172 C LEU A 10 67.097 0.894 -14.345 1.00 0.00 C ATOM 173 O LEU A 10 67.611 1.977 -14.069 1.00 0.00 O ATOM 174 CB LEU A 10 65.410 -0.083 -15.910 1.00 0.00 C ATOM 175 CG LEU A 10 65.197 -1.536 -15.483 1.00 0.00 C ATOM 176 CD1 LEU A 10 63.700 -1.801 -15.306 1.00 0.00 C ATOM 177 CD2 LEU A 10 65.754 -2.470 -16.561 1.00 0.00 C ATOM 0 H LEU A 10 64.649 2.251 -15.847 1.00 0.00 H new ATOM 0 HA LEU A 10 65.089 0.355 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.551 0.267 -16.483 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.280 -0.010 -16.563 1.00 0.00 H new ATOM 0 HG LEU A 10 65.713 -1.717 -14.540 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.547 -2.836 -15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 10 63.301 -1.135 -14.541 1.00 0.00 H new ATOM 0 HD13 LEU A 10 63.184 -1.620 -16.249 1.00 0.00 H new ATOM 0 HD21 LEU A 10 65.603 -3.506 -16.258 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.236 -2.288 -17.503 1.00 0.00 H new ATOM 0 HD23 LEU A 10 66.820 -2.282 -16.690 1.00 0.00 H new ATOM 189 N VAL A 11 67.782 -0.246 -14.373 1.00 0.00 N ATOM 190 CA VAL A 11 69.210 -0.277 -14.072 1.00 0.00 C ATOM 191 C VAL A 11 69.975 -1.020 -15.165 1.00 0.00 C ATOM 192 O VAL A 11 69.479 -1.994 -15.732 1.00 0.00 O ATOM 193 CB VAL A 11 69.443 -0.961 -12.723 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.014 -2.426 -12.809 1.00 0.00 C ATOM 195 CG2 VAL A 11 70.930 -0.887 -12.365 1.00 0.00 C ATOM 0 H VAL A 11 67.375 -1.154 -14.599 1.00 0.00 H new ATOM 0 HA VAL A 11 69.576 0.749 -14.027 1.00 0.00 H new ATOM 0 HB VAL A 11 68.856 -0.456 -11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.181 -2.911 -11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 11 67.956 -2.481 -13.064 1.00 0.00 H new ATOM 0 HG13 VAL A 11 69.599 -2.932 -13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.098 -1.374 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.515 -1.391 -13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.237 0.157 -12.301 1.00 0.00 H new ATOM 205 N THR A 12 71.187 -0.554 -15.451 1.00 0.00 N ATOM 206 CA THR A 12 72.018 -1.182 -16.475 1.00 0.00 C ATOM 207 C THR A 12 73.416 -1.465 -15.934 1.00 0.00 C ATOM 208 O THR A 12 73.838 -0.876 -14.938 1.00 0.00 O ATOM 209 CB THR A 12 72.116 -0.268 -17.700 1.00 0.00 C ATOM 210 OG1 THR A 12 72.979 0.822 -17.407 1.00 0.00 O ATOM 211 CG2 THR A 12 70.726 0.260 -18.058 1.00 0.00 C ATOM 0 H THR A 12 71.614 0.251 -14.992 1.00 0.00 H new ATOM 0 HA THR A 12 71.556 -2.127 -16.762 1.00 0.00 H new ATOM 0 HB THR A 12 72.515 -0.831 -18.543 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.044 1.407 -18.190 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.797 0.910 -18.930 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.065 -0.577 -18.283 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.323 0.824 -17.217 1.00 0.00 H new ATOM 219 N ILE A 13 74.133 -2.367 -16.599 1.00 0.00 N ATOM 220 CA ILE A 13 75.486 -2.716 -16.177 1.00 0.00 C ATOM 221 C ILE A 13 76.473 -2.489 -17.318 1.00 0.00 C ATOM 222 O ILE A 13 76.086 -2.465 -18.487 1.00 0.00 O ATOM 223 CB ILE A 13 75.535 -4.179 -15.723 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.245 -5.105 -16.910 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.485 -4.411 -14.634 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.357 -6.562 -16.456 1.00 0.00 C ATOM 0 H ILE A 13 73.803 -2.866 -17.425 1.00 0.00 H new ATOM 0 HA ILE A 13 75.766 -2.076 -15.340 1.00 0.00 H new ATOM 0 HB ILE A 13 76.528 -4.397 -15.330 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.247 -4.910 -17.302 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.949 -4.909 -17.719 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.520 -5.451 -14.311 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.692 -3.760 -13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.495 -4.187 -15.030 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.151 -7.222 -17.298 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.364 -6.751 -16.084 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.636 -6.752 -15.661 1.00 0.00 H new ATOM 238 N LYS A 14 77.748 -2.322 -16.976 1.00 0.00 N ATOM 239 CA LYS A 14 78.769 -2.098 -17.993 1.00 0.00 C ATOM 240 C LYS A 14 79.835 -3.186 -17.941 1.00 0.00 C ATOM 241 O LYS A 14 80.541 -3.334 -16.940 1.00 0.00 O ATOM 242 CB LYS A 14 79.420 -0.729 -17.786 1.00 0.00 C ATOM 243 CG LYS A 14 78.372 0.368 -17.986 1.00 0.00 C ATOM 244 CD LYS A 14 79.045 1.740 -17.919 1.00 0.00 C ATOM 245 CE LYS A 14 77.980 2.839 -18.012 1.00 0.00 C ATOM 246 NZ LYS A 14 77.625 3.303 -16.641 1.00 0.00 N ATOM 0 H LYS A 14 78.094 -2.337 -16.017 1.00 0.00 H new ATOM 0 HA LYS A 14 78.289 -2.129 -18.971 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.844 -0.664 -16.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.242 -0.595 -18.489 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.878 0.241 -18.949 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.601 0.292 -17.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 79.603 1.838 -16.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.762 1.845 -18.733 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.354 3.674 -18.605 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.094 2.459 -18.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.903 4.049 -16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.252 2.504 -16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.473 3.681 -16.172 1.00 0.00 H new ATOM 260 N ILE A 15 79.947 -3.944 -19.029 1.00 0.00 N ATOM 261 CA ILE A 15 80.933 -5.016 -19.102 1.00 0.00 C ATOM 262 C ILE A 15 81.942 -4.739 -20.212 1.00 0.00 C ATOM 263 O ILE A 15 81.651 -4.947 -21.390 1.00 0.00 O ATOM 264 CB ILE A 15 80.232 -6.346 -19.398 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.098 -6.572 -18.395 1.00 0.00 C ATOM 266 CG2 ILE A 15 81.238 -7.497 -19.298 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.634 -6.460 -16.968 1.00 0.00 C ATOM 0 H ILE A 15 79.372 -3.837 -19.865 1.00 0.00 H new ATOM 0 HA ILE A 15 81.452 -5.070 -18.145 1.00 0.00 H new ATOM 0 HB ILE A 15 79.820 -6.312 -20.407 1.00 0.00 H new ATOM 0 HG12 ILE A 15 78.308 -5.838 -18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 78.655 -7.556 -18.550 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.734 -8.440 -19.509 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.039 -7.344 -20.021 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.657 -7.527 -18.292 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.821 -6.622 -16.260 1.00 0.00 H new ATOM 0 HD12 ILE A 15 80.408 -7.211 -16.810 1.00 0.00 H new ATOM 0 HD13 ILE A 15 80.056 -5.467 -16.815 1.00 0.00 H new ATOM 279 N GLY A 16 83.126 -4.264 -19.839 1.00 0.00 N ATOM 280 CA GLY A 16 84.157 -3.969 -20.827 1.00 0.00 C ATOM 281 C GLY A 16 83.850 -2.672 -21.567 1.00 0.00 C ATOM 282 O GLY A 16 84.429 -2.396 -22.618 1.00 0.00 O ATOM 0 H GLY A 16 83.393 -4.077 -18.873 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.126 -3.890 -20.334 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.228 -4.790 -21.540 1.00 0.00 H new ATOM 286 N GLY A 17 82.935 -1.882 -21.017 1.00 0.00 N ATOM 287 CA GLY A 17 82.558 -0.620 -21.640 1.00 0.00 C ATOM 288 C GLY A 17 81.324 -0.795 -22.518 1.00 0.00 C ATOM 289 O GLY A 17 80.917 0.128 -23.224 1.00 0.00 O ATOM 0 H GLY A 17 82.444 -2.091 -20.148 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.359 0.125 -20.870 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.386 -0.244 -22.241 1.00 0.00 H new ATOM 293 N GLN A 18 80.728 -1.983 -22.465 1.00 0.00 N ATOM 294 CA GLN A 18 79.535 -2.258 -23.258 1.00 0.00 C ATOM 295 C GLN A 18 78.285 -2.082 -22.405 1.00 0.00 C ATOM 296 O GLN A 18 78.265 -2.458 -21.234 1.00 0.00 O ATOM 297 CB GLN A 18 79.585 -3.684 -23.810 1.00 0.00 C ATOM 298 CG GLN A 18 80.765 -3.818 -24.773 1.00 0.00 C ATOM 299 CD GLN A 18 80.839 -5.244 -25.311 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.272 -6.162 -24.717 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.504 -5.484 -26.407 1.00 0.00 N ATOM 0 H GLN A 18 81.047 -2.762 -21.889 1.00 0.00 H new ATOM 0 HA GLN A 18 79.501 -1.555 -24.090 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.686 -4.398 -22.993 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.653 -3.919 -24.325 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.654 -3.114 -25.598 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.693 -3.565 -24.261 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.972 -4.722 -26.897 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.556 -6.434 -26.775 1.00 0.00 H new ATOM 310 N LEU A 19 77.247 -1.505 -22.997 1.00 0.00 N ATOM 311 CA LEU A 19 76.003 -1.281 -22.273 1.00 0.00 C ATOM 312 C LEU A 19 75.074 -2.480 -22.427 1.00 0.00 C ATOM 313 O LEU A 19 74.795 -2.923 -23.541 1.00 0.00 O ATOM 314 CB LEU A 19 75.319 -0.021 -22.806 1.00 0.00 C ATOM 315 CG LEU A 19 76.312 1.144 -22.770 1.00 0.00 C ATOM 316 CD1 LEU A 19 75.631 2.419 -23.271 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.795 1.357 -21.334 1.00 0.00 C ATOM 0 H LEU A 19 77.241 -1.187 -23.966 1.00 0.00 H new ATOM 0 HA LEU A 19 76.229 -1.151 -21.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.970 -0.186 -23.825 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.442 0.214 -22.203 1.00 0.00 H new ATOM 0 HG LEU A 19 77.162 0.913 -23.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.341 3.246 -23.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.287 2.270 -24.294 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.779 2.651 -22.632 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.502 2.186 -21.307 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.943 1.586 -20.694 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.285 0.451 -20.977 1.00 0.00 H new ATOM 329 N LYS A 20 74.602 -3.003 -21.299 1.00 0.00 N ATOM 330 CA LYS A 20 73.708 -4.156 -21.317 1.00 0.00 C ATOM 331 C LYS A 20 72.542 -3.951 -20.357 1.00 0.00 C ATOM 332 O LYS A 20 72.645 -3.195 -19.390 1.00 0.00 O ATOM 333 CB LYS A 20 74.476 -5.418 -20.920 1.00 0.00 C ATOM 334 CG LYS A 20 75.599 -5.671 -21.928 1.00 0.00 C ATOM 335 CD LYS A 20 76.292 -6.996 -21.603 1.00 0.00 C ATOM 336 CE LYS A 20 77.473 -7.200 -22.554 1.00 0.00 C ATOM 337 NZ LYS A 20 77.020 -7.960 -23.753 1.00 0.00 N ATOM 0 H LYS A 20 74.822 -2.650 -20.368 1.00 0.00 H new ATOM 0 HA LYS A 20 73.316 -4.268 -22.328 1.00 0.00 H new ATOM 0 HB2 LYS A 20 74.891 -5.304 -19.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.801 -6.273 -20.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.194 -5.700 -22.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.320 -4.854 -21.897 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.639 -6.993 -20.570 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.586 -7.821 -21.700 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.882 -6.236 -22.855 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.272 -7.741 -22.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 77.614 -8.805 -23.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 76.029 -8.248 -23.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 77.101 -7.357 -24.597 1.00 0.00 H new ATOM 351 N GLU A 21 71.442 -4.647 -20.619 1.00 0.00 N ATOM 352 CA GLU A 21 70.266 -4.555 -19.764 1.00 0.00 C ATOM 353 C GLU A 21 70.082 -5.865 -19.006 1.00 0.00 C ATOM 354 O GLU A 21 70.197 -6.945 -19.585 1.00 0.00 O ATOM 355 CB GLU A 21 69.026 -4.264 -20.612 1.00 0.00 C ATOM 356 CG GLU A 21 67.817 -4.053 -19.699 1.00 0.00 C ATOM 357 CD GLU A 21 66.562 -3.848 -20.541 1.00 0.00 C ATOM 358 OE1 GLU A 21 66.672 -3.896 -21.755 1.00 0.00 O ATOM 359 OE2 GLU A 21 65.509 -3.644 -19.959 1.00 0.00 O ATOM 0 H GLU A 21 71.340 -5.279 -21.413 1.00 0.00 H new ATOM 0 HA GLU A 21 70.403 -3.743 -19.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.191 -3.377 -21.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.838 -5.092 -21.295 1.00 0.00 H new ATOM 0 HG2 GLU A 21 67.690 -4.915 -19.044 1.00 0.00 H new ATOM 0 HG3 GLU A 21 67.981 -3.187 -19.058 1.00 0.00 H new ATOM 366 N ALA A 22 69.811 -5.772 -17.709 1.00 0.00 N ATOM 367 CA ALA A 22 69.635 -6.972 -16.900 1.00 0.00 C ATOM 368 C ALA A 22 68.625 -6.743 -15.782 1.00 0.00 C ATOM 369 O ALA A 22 68.458 -5.624 -15.296 1.00 0.00 O ATOM 370 CB ALA A 22 70.977 -7.384 -16.294 1.00 0.00 C ATOM 0 H ALA A 22 69.710 -4.893 -17.202 1.00 0.00 H new ATOM 0 HA ALA A 22 69.257 -7.764 -17.547 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.843 -8.281 -15.690 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.690 -7.588 -17.093 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.356 -6.577 -15.667 1.00 0.00 H new ATOM 376 N LEU A 23 67.963 -7.821 -15.373 1.00 0.00 N ATOM 377 CA LEU A 23 66.977 -7.748 -14.302 1.00 0.00 C ATOM 378 C LEU A 23 67.530 -8.386 -13.031 1.00 0.00 C ATOM 379 O LEU A 23 68.305 -9.341 -13.093 1.00 0.00 O ATOM 380 CB LEU A 23 65.691 -8.464 -14.721 1.00 0.00 C ATOM 381 CG LEU A 23 65.172 -7.866 -16.032 1.00 0.00 C ATOM 382 CD1 LEU A 23 63.847 -8.531 -16.408 1.00 0.00 C ATOM 383 CD2 LEU A 23 64.949 -6.362 -15.854 1.00 0.00 C ATOM 0 H LEU A 23 68.092 -8.753 -15.766 1.00 0.00 H new ATOM 0 HA LEU A 23 66.755 -6.699 -14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 65.881 -9.530 -14.846 1.00 0.00 H new ATOM 0 HB3 LEU A 23 64.937 -8.364 -13.941 1.00 0.00 H new ATOM 0 HG LEU A 23 65.904 -8.037 -16.822 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.478 -8.105 -17.341 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.001 -9.603 -16.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.117 -8.360 -15.617 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.580 -5.936 -16.787 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.218 -6.194 -15.064 1.00 0.00 H new ATOM 0 HD23 LEU A 23 65.891 -5.884 -15.585 1.00 0.00 H new ATOM 395 N LEU A 24 67.129 -7.858 -11.880 1.00 0.00 N ATOM 396 CA LEU A 24 67.598 -8.393 -10.606 1.00 0.00 C ATOM 397 C LEU A 24 66.696 -9.531 -10.138 1.00 0.00 C ATOM 398 O LEU A 24 65.472 -9.447 -10.236 1.00 0.00 O ATOM 399 CB LEU A 24 67.621 -7.289 -9.545 1.00 0.00 C ATOM 400 CG LEU A 24 68.493 -6.127 -10.027 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.564 -5.058 -8.935 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.905 -6.639 -10.324 1.00 0.00 C ATOM 0 H LEU A 24 66.487 -7.069 -11.802 1.00 0.00 H new ATOM 0 HA LEU A 24 68.608 -8.777 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.608 -6.939 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.009 -7.682 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 24 68.061 -5.699 -10.932 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.185 -4.230 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.560 -4.693 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.998 -5.488 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.527 -5.812 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.336 -7.065 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.859 -7.405 -11.099 1.00 0.00 H new ATOM 414 N ASP A 25 67.312 -10.594 -9.629 1.00 0.00 N ATOM 415 CA ASP A 25 66.559 -11.746 -9.147 1.00 0.00 C ATOM 416 C ASP A 25 67.201 -12.313 -7.885 1.00 0.00 C ATOM 417 O ASP A 25 68.128 -13.120 -7.955 1.00 0.00 O ATOM 418 CB ASP A 25 66.510 -12.827 -10.227 1.00 0.00 C ATOM 419 CG ASP A 25 65.591 -13.963 -9.789 1.00 0.00 C ATOM 420 OD1 ASP A 25 64.969 -13.828 -8.749 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.524 -14.952 -10.501 1.00 0.00 O ATOM 0 H ASP A 25 68.324 -10.681 -9.540 1.00 0.00 H new ATOM 0 HA ASP A 25 65.545 -11.422 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 25 66.152 -12.400 -11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.513 -13.211 -10.414 1.00 0.00 H new ATOM 426 N THR A 26 66.701 -11.882 -6.733 1.00 0.00 N ATOM 427 CA THR A 26 67.228 -12.347 -5.454 1.00 0.00 C ATOM 428 C THR A 26 67.049 -13.855 -5.305 1.00 0.00 C ATOM 429 O THR A 26 67.744 -14.495 -4.515 1.00 0.00 O ATOM 430 CB THR A 26 66.516 -11.631 -4.303 1.00 0.00 C ATOM 431 OG1 THR A 26 66.652 -10.226 -4.467 1.00 0.00 O ATOM 432 CG2 THR A 26 67.141 -12.056 -2.972 1.00 0.00 C ATOM 0 H THR A 26 65.934 -11.214 -6.657 1.00 0.00 H new ATOM 0 HA THR A 26 68.293 -12.119 -5.423 1.00 0.00 H new ATOM 0 HB THR A 26 65.459 -11.897 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 26 66.196 -9.765 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 26 66.634 -11.546 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 26 67.036 -13.134 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 68.198 -11.791 -2.965 1.00 0.00 H new ATOM 440 N GLY A 27 66.119 -14.417 -6.067 1.00 0.00 N ATOM 441 CA GLY A 27 65.862 -15.852 -6.010 1.00 0.00 C ATOM 442 C GLY A 27 66.984 -16.644 -6.676 1.00 0.00 C ATOM 443 O GLY A 27 67.124 -17.846 -6.449 1.00 0.00 O ATOM 0 H GLY A 27 65.533 -13.906 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 27 65.761 -16.164 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 27 64.915 -16.074 -6.503 1.00 0.00 H new ATOM 447 N ALA A 28 67.777 -15.968 -7.503 1.00 0.00 N ATOM 448 CA ALA A 28 68.877 -16.629 -8.199 1.00 0.00 C ATOM 449 C ALA A 28 70.165 -16.552 -7.384 1.00 0.00 C ATOM 450 O ALA A 28 70.685 -15.467 -7.127 1.00 0.00 O ATOM 451 CB ALA A 28 69.098 -15.977 -9.564 1.00 0.00 C ATOM 0 H ALA A 28 67.680 -14.973 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 28 68.612 -17.678 -8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.920 -16.476 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.190 -16.066 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.341 -14.923 -9.429 1.00 0.00 H new ATOM 457 N ASP A 29 70.674 -17.712 -6.984 1.00 0.00 N ATOM 458 CA ASP A 29 71.904 -17.770 -6.203 1.00 0.00 C ATOM 459 C ASP A 29 73.104 -17.307 -7.028 1.00 0.00 C ATOM 460 O ASP A 29 74.025 -16.682 -6.502 1.00 0.00 O ATOM 461 CB ASP A 29 72.140 -19.197 -5.707 1.00 0.00 C ATOM 462 CG ASP A 29 71.062 -19.582 -4.699 1.00 0.00 C ATOM 463 OD1 ASP A 29 70.330 -18.702 -4.279 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.985 -20.752 -4.361 1.00 0.00 O ATOM 0 H ASP A 29 70.257 -18.620 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 29 71.795 -17.100 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 29 72.128 -19.890 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.125 -19.273 -5.246 1.00 0.00 H new ATOM 469 N ASP A 30 73.096 -17.630 -8.319 1.00 0.00 N ATOM 470 CA ASP A 30 74.199 -17.253 -9.199 1.00 0.00 C ATOM 471 C ASP A 30 73.732 -16.295 -10.293 1.00 0.00 C ATOM 472 O ASP A 30 72.564 -15.908 -10.338 1.00 0.00 O ATOM 473 CB ASP A 30 74.802 -18.504 -9.841 1.00 0.00 C ATOM 474 CG ASP A 30 75.445 -19.379 -8.770 1.00 0.00 C ATOM 475 OD1 ASP A 30 75.611 -18.898 -7.661 1.00 0.00 O ATOM 476 OD2 ASP A 30 75.760 -20.518 -9.073 1.00 0.00 O ATOM 0 H ASP A 30 72.345 -18.147 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 30 74.953 -16.746 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.027 -19.065 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.546 -18.219 -10.585 1.00 0.00 H new ATOM 481 N THR A 31 74.657 -15.918 -11.175 1.00 0.00 N ATOM 482 CA THR A 31 74.341 -15.007 -12.270 1.00 0.00 C ATOM 483 C THR A 31 74.545 -15.702 -13.615 1.00 0.00 C ATOM 484 O THR A 31 75.557 -16.367 -13.833 1.00 0.00 O ATOM 485 CB THR A 31 75.244 -13.769 -12.186 1.00 0.00 C ATOM 486 OG1 THR A 31 75.011 -13.101 -10.954 1.00 0.00 O ATOM 487 CG2 THR A 31 74.950 -12.817 -13.350 1.00 0.00 C ATOM 0 H THR A 31 75.628 -16.229 -11.151 1.00 0.00 H new ATOM 0 HA THR A 31 73.297 -14.704 -12.186 1.00 0.00 H new ATOM 0 HB THR A 31 76.286 -14.083 -12.244 1.00 0.00 H new ATOM 0 HG1 THR A 31 75.174 -12.141 -11.066 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.598 -11.943 -13.278 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.135 -13.329 -14.294 1.00 0.00 H new ATOM 0 HG23 THR A 31 73.908 -12.501 -13.307 1.00 0.00 H new ATOM 495 N VAL A 32 73.576 -15.539 -14.513 1.00 0.00 N ATOM 496 CA VAL A 32 73.659 -16.150 -15.836 1.00 0.00 C ATOM 497 C VAL A 32 73.469 -15.091 -16.919 1.00 0.00 C ATOM 498 O VAL A 32 72.587 -14.238 -16.816 1.00 0.00 O ATOM 499 CB VAL A 32 72.589 -17.237 -15.989 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.772 -17.951 -17.330 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.719 -18.258 -14.854 1.00 0.00 C ATOM 0 H VAL A 32 72.730 -14.993 -14.350 1.00 0.00 H new ATOM 0 HA VAL A 32 74.645 -16.602 -15.945 1.00 0.00 H new ATOM 0 HB VAL A 32 71.603 -16.774 -15.950 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.011 -18.724 -17.438 1.00 0.00 H new ATOM 0 HG12 VAL A 32 72.675 -17.230 -18.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.761 -18.408 -17.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.956 -19.028 -14.968 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.707 -18.718 -14.890 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.587 -17.756 -13.896 1.00 0.00 H new ATOM 511 N ILE A 33 74.299 -15.148 -17.956 1.00 0.00 N ATOM 512 CA ILE A 33 74.206 -14.182 -19.047 1.00 0.00 C ATOM 513 C ILE A 33 73.912 -14.879 -20.373 1.00 0.00 C ATOM 514 O ILE A 33 74.496 -15.916 -20.683 1.00 0.00 O ATOM 515 CB ILE A 33 75.514 -13.397 -19.159 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.795 -12.689 -17.831 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.397 -12.358 -20.276 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.156 -11.994 -17.900 1.00 0.00 C ATOM 0 H ILE A 33 75.036 -15.845 -18.064 1.00 0.00 H new ATOM 0 HA ILE A 33 73.386 -13.499 -18.827 1.00 0.00 H new ATOM 0 HB ILE A 33 76.330 -14.082 -19.389 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.012 -11.959 -17.623 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.784 -13.410 -17.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.330 -11.800 -20.353 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.196 -12.861 -21.222 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.582 -11.671 -20.050 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.356 -11.490 -16.954 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.934 -12.734 -18.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.150 -11.262 -18.707 1.00 0.00 H new ATOM 530 N GLU A 34 73.007 -14.297 -21.155 1.00 0.00 N ATOM 531 CA GLU A 34 72.646 -14.866 -22.451 1.00 0.00 C ATOM 532 C GLU A 34 73.898 -15.209 -23.250 1.00 0.00 C ATOM 533 O GLU A 34 74.960 -14.623 -23.039 1.00 0.00 O ATOM 534 CB GLU A 34 71.787 -13.871 -23.237 1.00 0.00 C ATOM 535 CG GLU A 34 72.660 -12.722 -23.752 1.00 0.00 C ATOM 536 CD GLU A 34 71.783 -11.636 -24.365 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.578 -11.824 -24.401 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.330 -10.631 -24.790 1.00 0.00 O ATOM 0 H GLU A 34 72.513 -13.437 -20.917 1.00 0.00 H new ATOM 0 HA GLU A 34 72.076 -15.780 -22.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.304 -14.376 -24.074 1.00 0.00 H new ATOM 0 HB3 GLU A 34 70.994 -13.479 -22.600 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.249 -12.307 -22.934 1.00 0.00 H new ATOM 0 HG3 GLU A 34 73.365 -13.095 -24.495 1.00 0.00 H new ATOM 545 N GLU A 35 73.769 -16.165 -24.164 1.00 0.00 N ATOM 546 CA GLU A 35 74.904 -16.575 -24.981 1.00 0.00 C ATOM 547 C GLU A 35 75.517 -15.367 -25.682 1.00 0.00 C ATOM 548 O GLU A 35 74.806 -14.507 -26.200 1.00 0.00 O ATOM 549 CB GLU A 35 74.457 -17.603 -26.021 1.00 0.00 C ATOM 550 CG GLU A 35 75.677 -18.126 -26.781 1.00 0.00 C ATOM 551 CD GLU A 35 76.560 -18.945 -25.845 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.035 -19.475 -24.880 1.00 0.00 O ATOM 553 OE2 GLU A 35 77.749 -19.029 -26.107 1.00 0.00 O ATOM 0 H GLU A 35 72.901 -16.665 -24.356 1.00 0.00 H new ATOM 0 HA GLU A 35 75.655 -17.025 -24.331 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.939 -18.428 -25.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.750 -17.149 -26.716 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.356 -18.740 -27.622 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.245 -17.292 -27.193 1.00 0.00 H new ATOM 560 N MET A 36 76.844 -15.310 -25.682 1.00 0.00 N ATOM 561 CA MET A 36 77.557 -14.205 -26.310 1.00 0.00 C ATOM 562 C MET A 36 79.044 -14.539 -26.405 1.00 0.00 C ATOM 563 O MET A 36 79.506 -15.510 -25.804 1.00 0.00 O ATOM 564 CB MET A 36 77.352 -12.930 -25.481 1.00 0.00 C ATOM 565 CG MET A 36 77.732 -11.697 -26.306 1.00 0.00 C ATOM 566 SD MET A 36 77.359 -10.201 -25.357 1.00 0.00 S ATOM 567 CE MET A 36 77.771 -9.002 -26.649 1.00 0.00 C ATOM 0 H MET A 36 77.446 -16.014 -25.255 1.00 0.00 H new ATOM 0 HA MET A 36 77.169 -14.043 -27.316 1.00 0.00 H new ATOM 0 HB2 MET A 36 76.312 -12.857 -25.163 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.960 -12.973 -24.577 1.00 0.00 H new ATOM 0 HG2 MET A 36 78.792 -11.727 -26.558 1.00 0.00 H new ATOM 0 HG3 MET A 36 77.181 -11.691 -27.247 1.00 0.00 H new ATOM 0 HE1 MET A 36 78.383 -8.206 -26.225 1.00 0.00 H new ATOM 0 HE2 MET A 36 78.324 -9.500 -27.445 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.854 -8.577 -27.056 1.00 0.00 H new ATOM 577 N SER A 37 79.794 -13.737 -27.152 1.00 0.00 N ATOM 578 CA SER A 37 81.224 -13.975 -27.296 1.00 0.00 C ATOM 579 C SER A 37 82.012 -12.967 -26.465 1.00 0.00 C ATOM 580 O SER A 37 81.675 -11.784 -26.426 1.00 0.00 O ATOM 581 CB SER A 37 81.629 -13.856 -28.765 1.00 0.00 C ATOM 582 OG SER A 37 80.881 -14.786 -29.537 1.00 0.00 O ATOM 0 H SER A 37 79.441 -12.927 -27.661 1.00 0.00 H new ATOM 0 HA SER A 37 81.447 -14.981 -26.942 1.00 0.00 H new ATOM 0 HB2 SER A 37 81.449 -12.842 -29.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 82.696 -14.049 -28.876 1.00 0.00 H new ATOM 0 HG SER A 37 81.138 -14.710 -30.480 1.00 0.00 H new ATOM 588 N LEU A 38 83.063 -13.447 -25.807 1.00 0.00 N ATOM 589 CA LEU A 38 83.895 -12.582 -24.976 1.00 0.00 C ATOM 590 C LEU A 38 85.369 -12.972 -25.102 1.00 0.00 C ATOM 591 O LEU A 38 85.689 -14.145 -25.293 1.00 0.00 O ATOM 592 CB LEU A 38 83.472 -12.705 -23.507 1.00 0.00 C ATOM 593 CG LEU A 38 82.188 -11.908 -23.249 1.00 0.00 C ATOM 594 CD1 LEU A 38 81.132 -12.826 -22.631 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.491 -10.761 -22.282 1.00 0.00 C ATOM 0 H LEU A 38 83.358 -14.423 -25.832 1.00 0.00 H new ATOM 0 HA LEU A 38 83.765 -11.554 -25.315 1.00 0.00 H new ATOM 0 HB2 LEU A 38 83.313 -13.753 -23.255 1.00 0.00 H new ATOM 0 HB3 LEU A 38 84.270 -12.339 -22.861 1.00 0.00 H new ATOM 0 HG LEU A 38 81.814 -11.506 -24.190 1.00 0.00 H new ATOM 0 HD11 LEU A 38 80.219 -12.259 -22.448 1.00 0.00 H new ATOM 0 HD12 LEU A 38 80.918 -13.647 -23.315 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.505 -13.227 -21.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.580 -10.192 -22.096 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.864 -11.167 -21.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.245 -10.106 -22.719 1.00 0.00 H new ATOM 607 N PRO A 39 86.269 -12.024 -24.982 1.00 0.00 N ATOM 608 CA PRO A 39 87.733 -12.298 -25.069 1.00 0.00 C ATOM 609 C PRO A 39 88.248 -12.997 -23.813 1.00 0.00 C ATOM 610 O PRO A 39 87.726 -12.783 -22.719 1.00 0.00 O ATOM 611 CB PRO A 39 88.353 -10.908 -25.214 1.00 0.00 C ATOM 612 CG PRO A 39 87.385 -9.977 -24.565 1.00 0.00 C ATOM 613 CD PRO A 39 85.997 -10.593 -24.753 1.00 0.00 C ATOM 0 HA PRO A 39 87.983 -12.965 -25.894 1.00 0.00 H new ATOM 0 HB2 PRO A 39 89.329 -10.860 -24.731 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.503 -10.651 -26.263 1.00 0.00 H new ATOM 0 HG2 PRO A 39 87.615 -9.854 -23.507 1.00 0.00 H new ATOM 0 HG3 PRO A 39 87.435 -8.987 -25.019 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.371 -10.442 -23.874 1.00 0.00 H new ATOM 0 HD3 PRO A 39 85.473 -10.146 -25.598 1.00 0.00 H new ATOM 621 N GLY A 40 89.275 -13.826 -23.969 1.00 0.00 N ATOM 622 CA GLY A 40 89.842 -14.536 -22.829 1.00 0.00 C ATOM 623 C GLY A 40 89.454 -16.012 -22.840 1.00 0.00 C ATOM 624 O GLY A 40 88.595 -16.438 -23.612 1.00 0.00 O ATOM 0 H GLY A 40 89.727 -14.021 -24.862 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.928 -14.444 -22.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.497 -14.075 -21.904 1.00 0.00 H new ATOM 628 N ARG A 41 90.108 -16.785 -21.978 1.00 0.00 N ATOM 629 CA ARG A 41 89.851 -18.219 -21.884 1.00 0.00 C ATOM 630 C ARG A 41 88.437 -18.506 -21.382 1.00 0.00 C ATOM 631 O ARG A 41 87.865 -17.732 -20.614 1.00 0.00 O ATOM 632 CB ARG A 41 90.865 -18.864 -20.937 1.00 0.00 C ATOM 633 CG ARG A 41 92.267 -18.753 -21.539 1.00 0.00 C ATOM 634 CD ARG A 41 93.272 -19.460 -20.628 1.00 0.00 C ATOM 635 NE ARG A 41 93.245 -18.873 -19.293 1.00 0.00 N ATOM 636 CZ ARG A 41 93.785 -19.501 -18.254 1.00 0.00 C ATOM 637 NH1 ARG A 41 94.349 -20.667 -18.417 1.00 0.00 N ATOM 638 NH2 ARG A 41 93.752 -18.952 -17.071 1.00 0.00 N ATOM 0 H ARG A 41 90.821 -16.442 -21.334 1.00 0.00 H new ATOM 0 HA ARG A 41 89.949 -18.641 -22.884 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.835 -18.372 -19.965 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.610 -19.911 -20.772 1.00 0.00 H new ATOM 0 HG2 ARG A 41 92.284 -19.200 -22.533 1.00 0.00 H new ATOM 0 HG3 ARG A 41 92.542 -17.705 -21.657 1.00 0.00 H new ATOM 0 HD2 ARG A 41 93.036 -20.523 -20.570 1.00 0.00 H new ATOM 0 HD3 ARG A 41 94.274 -19.378 -21.048 1.00 0.00 H new ATOM 0 HE ARG A 41 92.804 -17.964 -19.155 1.00 0.00 H new ATOM 0 HH11 ARG A 41 94.375 -21.096 -19.342 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.764 -21.149 -17.619 1.00 0.00 H new ATOM 0 HH21 ARG A 41 93.312 -18.041 -16.944 1.00 0.00 H new ATOM 0 HH22 ARG A 41 94.166 -19.434 -16.273 1.00 0.00 H new ATOM 652 N TRP A 42 87.890 -19.638 -21.820 1.00 0.00 N ATOM 653 CA TRP A 42 86.550 -20.051 -21.416 1.00 0.00 C ATOM 654 C TRP A 42 86.544 -21.545 -21.103 1.00 0.00 C ATOM 655 O TRP A 42 87.486 -22.257 -21.454 1.00 0.00 O ATOM 656 CB TRP A 42 85.550 -19.751 -22.534 1.00 0.00 C ATOM 657 CG TRP A 42 85.935 -20.504 -23.767 1.00 0.00 C ATOM 658 CD1 TRP A 42 86.889 -20.120 -24.645 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.393 -21.758 -24.274 1.00 0.00 C ATOM 660 NE1 TRP A 42 86.969 -21.058 -25.658 1.00 0.00 N ATOM 661 CE2 TRP A 42 86.066 -22.087 -25.474 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.393 -22.633 -23.814 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.758 -23.243 -26.193 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.080 -23.797 -24.535 1.00 0.00 C ATOM 665 CH2 TRP A 42 84.761 -24.102 -25.721 1.00 0.00 C ATOM 0 H TRP A 42 88.356 -20.286 -22.456 1.00 0.00 H new ATOM 0 HA TRP A 42 86.260 -19.496 -20.524 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.545 -20.034 -22.222 1.00 0.00 H new ATOM 0 HB3 TRP A 42 85.530 -18.681 -22.741 1.00 0.00 H new ATOM 0 HD1 TRP A 42 87.490 -19.226 -24.568 1.00 0.00 H new ATOM 0 HE1 TRP A 42 87.616 -20.997 -26.445 1.00 0.00 H new ATOM 0 HE3 TRP A 42 83.862 -22.409 -22.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 86.286 -23.472 -27.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 83.309 -24.461 -24.173 1.00 0.00 H new ATOM 0 HH2 TRP A 42 84.516 -24.999 -26.270 1.00 0.00 H new ATOM 676 N LYS A 43 85.493 -22.024 -20.441 1.00 0.00 N ATOM 677 CA LYS A 43 85.419 -23.441 -20.101 1.00 0.00 C ATOM 678 C LYS A 43 83.997 -23.977 -20.288 1.00 0.00 C ATOM 679 O LYS A 43 83.026 -23.271 -20.015 1.00 0.00 O ATOM 680 CB LYS A 43 85.847 -23.645 -18.646 1.00 0.00 C ATOM 681 CG LYS A 43 87.284 -24.168 -18.602 1.00 0.00 C ATOM 682 CD LYS A 43 87.844 -23.997 -17.190 1.00 0.00 C ATOM 683 CE LYS A 43 88.696 -22.728 -17.128 1.00 0.00 C ATOM 684 NZ LYS A 43 88.891 -22.329 -15.706 1.00 0.00 N ATOM 0 H LYS A 43 84.697 -21.465 -20.135 1.00 0.00 H new ATOM 0 HA LYS A 43 86.088 -23.986 -20.767 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.775 -22.704 -18.100 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.177 -24.351 -18.155 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.309 -25.219 -18.890 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.902 -23.626 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.029 -23.936 -16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 43 88.445 -24.865 -16.918 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.661 -22.902 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 43 88.209 -21.923 -17.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 89.470 -21.466 -15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 87.966 -22.147 -15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.373 -23.095 -15.193 1.00 0.00 H new ATOM 698 N PRO A 44 83.850 -25.207 -20.729 1.00 0.00 N ATOM 699 CA PRO A 44 82.509 -25.829 -20.932 1.00 0.00 C ATOM 700 C PRO A 44 81.867 -26.246 -19.611 1.00 0.00 C ATOM 701 O PRO A 44 82.526 -26.829 -18.750 1.00 0.00 O ATOM 702 CB PRO A 44 82.811 -27.055 -21.792 1.00 0.00 C ATOM 703 CG PRO A 44 84.205 -27.441 -21.432 1.00 0.00 C ATOM 704 CD PRO A 44 84.935 -26.143 -21.086 1.00 0.00 C ATOM 0 HA PRO A 44 81.801 -25.139 -21.391 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.111 -27.865 -21.586 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.727 -26.823 -22.854 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.212 -28.128 -20.586 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.693 -27.952 -22.262 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.629 -26.284 -20.257 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.518 -25.775 -21.931 1.00 0.00 H new ATOM 712 N LYS A 45 80.582 -25.947 -19.457 1.00 0.00 N ATOM 713 CA LYS A 45 79.867 -26.301 -18.236 1.00 0.00 C ATOM 714 C LYS A 45 78.548 -26.990 -18.573 1.00 0.00 C ATOM 715 O LYS A 45 77.885 -26.639 -19.549 1.00 0.00 O ATOM 716 CB LYS A 45 79.593 -25.044 -17.406 1.00 0.00 C ATOM 717 CG LYS A 45 78.972 -25.443 -16.066 1.00 0.00 C ATOM 718 CD LYS A 45 78.640 -24.185 -15.261 1.00 0.00 C ATOM 719 CE LYS A 45 78.123 -24.584 -13.877 1.00 0.00 C ATOM 720 NZ LYS A 45 77.715 -26.017 -13.895 1.00 0.00 N ATOM 0 H LYS A 45 80.018 -25.464 -20.156 1.00 0.00 H new ATOM 0 HA LYS A 45 80.487 -26.987 -17.658 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.520 -24.495 -17.240 1.00 0.00 H new ATOM 0 HB3 LYS A 45 78.921 -24.378 -17.947 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.069 -26.030 -16.232 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.663 -26.074 -15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.527 -23.559 -15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 45 77.889 -23.593 -15.784 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.898 -24.425 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 45 77.276 -23.957 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 77.270 -26.263 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 77.037 -26.175 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.553 -26.615 -14.042 1.00 0.00 H new ATOM 734 N MET A 46 78.176 -27.975 -17.763 1.00 0.00 N ATOM 735 CA MET A 46 76.933 -28.706 -17.986 1.00 0.00 C ATOM 736 C MET A 46 76.028 -28.599 -16.764 1.00 0.00 C ATOM 737 O MET A 46 76.505 -28.567 -15.629 1.00 0.00 O ATOM 738 CB MET A 46 77.237 -30.179 -18.266 1.00 0.00 C ATOM 739 CG MET A 46 78.041 -30.302 -19.561 1.00 0.00 C ATOM 740 SD MET A 46 78.216 -32.050 -19.997 1.00 0.00 S ATOM 741 CE MET A 46 79.065 -32.580 -18.489 1.00 0.00 C ATOM 0 H MET A 46 78.712 -28.284 -16.952 1.00 0.00 H new ATOM 0 HA MET A 46 76.424 -28.270 -18.845 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.798 -30.609 -17.436 1.00 0.00 H new ATOM 0 HB3 MET A 46 76.308 -30.743 -18.348 1.00 0.00 H new ATOM 0 HG2 MET A 46 77.540 -29.764 -20.366 1.00 0.00 H new ATOM 0 HG3 MET A 46 79.024 -29.847 -19.437 1.00 0.00 H new ATOM 0 HE1 MET A 46 79.709 -33.430 -18.714 1.00 0.00 H new ATOM 0 HE2 MET A 46 79.670 -31.759 -18.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 78.329 -32.870 -17.740 1.00 0.00 H new ATOM 751 N ILE A 47 74.721 -28.554 -16.999 1.00 0.00 N ATOM 752 CA ILE A 47 73.764 -28.463 -15.904 1.00 0.00 C ATOM 753 C ILE A 47 72.733 -29.581 -16.009 1.00 0.00 C ATOM 754 O ILE A 47 72.191 -29.840 -17.086 1.00 0.00 O ATOM 755 CB ILE A 47 73.061 -27.104 -15.929 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.075 -27.019 -14.761 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.301 -26.943 -17.246 1.00 0.00 C ATOM 758 CD1 ILE A 47 71.608 -25.571 -14.593 1.00 0.00 C ATOM 0 H ILE A 47 74.303 -28.579 -17.929 1.00 0.00 H new ATOM 0 HA ILE A 47 74.303 -28.567 -14.962 1.00 0.00 H new ATOM 0 HB ILE A 47 73.804 -26.311 -15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.220 -27.669 -14.945 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.550 -27.368 -13.844 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.801 -25.975 -17.262 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.001 -27.004 -18.080 1.00 0.00 H new ATOM 0 HG23 ILE A 47 71.559 -27.736 -17.337 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.906 -25.509 -13.762 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.468 -24.933 -14.390 1.00 0.00 H new ATOM 0 HD13 ILE A 47 71.117 -25.239 -15.508 1.00 0.00 H new ATOM 770 N GLY A 48 72.470 -30.243 -14.886 1.00 0.00 N ATOM 771 CA GLY A 48 71.506 -31.336 -14.862 1.00 0.00 C ATOM 772 C GLY A 48 70.542 -31.192 -13.690 1.00 0.00 C ATOM 773 O GLY A 48 69.613 -30.386 -13.733 1.00 0.00 O ATOM 0 H GLY A 48 72.908 -30.043 -13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 70.946 -31.352 -15.797 1.00 0.00 H new ATOM 0 HA3 GLY A 48 72.032 -32.288 -14.789 1.00 0.00 H new ATOM 777 N GLY A 49 70.765 -31.984 -12.645 1.00 0.00 N ATOM 778 CA GLY A 49 69.904 -31.937 -11.470 1.00 0.00 C ATOM 779 C GLY A 49 68.486 -32.362 -11.831 1.00 0.00 C ATOM 780 O GLY A 49 68.276 -33.430 -12.407 1.00 0.00 O ATOM 0 H GLY A 49 71.527 -32.659 -12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.300 -32.593 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 69.894 -30.927 -11.059 1.00 0.00 H new ATOM 784 N ILE A 50 67.516 -31.518 -11.499 1.00 0.00 N ATOM 785 CA ILE A 50 66.124 -31.819 -11.805 1.00 0.00 C ATOM 786 C ILE A 50 65.554 -30.773 -12.758 1.00 0.00 C ATOM 787 O ILE A 50 65.576 -29.577 -12.469 1.00 0.00 O ATOM 788 CB ILE A 50 65.299 -31.848 -10.518 1.00 0.00 C ATOM 789 CG1 ILE A 50 65.901 -32.872 -9.553 1.00 0.00 C ATOM 790 CG2 ILE A 50 63.858 -32.242 -10.844 1.00 0.00 C ATOM 791 CD1 ILE A 50 65.161 -32.811 -8.216 1.00 0.00 C ATOM 0 H ILE A 50 67.666 -30.629 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 50 66.077 -32.797 -12.283 1.00 0.00 H new ATOM 0 HB ILE A 50 65.309 -30.861 -10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 50 65.827 -33.874 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.961 -32.667 -9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 50 63.270 -32.263 -9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 50 63.429 -31.515 -11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 50 63.846 -33.230 -11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.590 -33.540 -7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.258 -31.812 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 50 64.106 -33.037 -8.373 1.00 0.00 H new ATOM 803 N GLY A 51 65.043 -31.233 -13.894 1.00 0.00 N ATOM 804 CA GLY A 51 64.468 -30.328 -14.882 1.00 0.00 C ATOM 805 C GLY A 51 65.558 -29.626 -15.685 1.00 0.00 C ATOM 806 O GLY A 51 65.319 -28.577 -16.285 1.00 0.00 O ATOM 0 H GLY A 51 65.015 -32.219 -14.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 63.818 -30.886 -15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 51 63.846 -29.586 -14.381 1.00 0.00 H new ATOM 810 N GLY A 52 66.756 -30.204 -15.694 1.00 0.00 N ATOM 811 CA GLY A 52 67.869 -29.611 -16.430 1.00 0.00 C ATOM 812 C GLY A 52 68.654 -30.672 -17.194 1.00 0.00 C ATOM 813 O GLY A 52 68.598 -31.852 -16.857 1.00 0.00 O ATOM 0 H GLY A 52 66.980 -31.072 -15.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.490 -28.863 -17.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.532 -29.093 -15.737 1.00 0.00 H new ATOM 817 N PHE A 53 69.395 -30.222 -18.212 1.00 0.00 N ATOM 818 CA PHE A 53 70.221 -31.107 -19.043 1.00 0.00 C ATOM 819 C PHE A 53 70.710 -30.360 -20.283 1.00 0.00 C ATOM 820 O PHE A 53 70.501 -30.808 -21.408 1.00 0.00 O ATOM 821 CB PHE A 53 69.428 -32.348 -19.488 1.00 0.00 C ATOM 822 CG PHE A 53 70.262 -33.168 -20.444 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.387 -33.858 -19.976 1.00 0.00 C ATOM 824 CD2 PHE A 53 69.909 -33.241 -21.798 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.159 -34.619 -20.861 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.682 -34.002 -22.682 1.00 0.00 C ATOM 827 CZ PHE A 53 71.807 -34.691 -22.214 1.00 0.00 C ATOM 0 H PHE A 53 69.440 -29.240 -18.483 1.00 0.00 H new ATOM 0 HA PHE A 53 71.072 -31.427 -18.442 1.00 0.00 H new ATOM 0 HB2 PHE A 53 69.156 -32.949 -18.620 1.00 0.00 H new ATOM 0 HB3 PHE A 53 68.498 -32.044 -19.969 1.00 0.00 H new ATOM 0 HD1 PHE A 53 71.659 -33.803 -18.932 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.041 -32.710 -22.159 1.00 0.00 H new ATOM 0 HE1 PHE A 53 73.027 -35.151 -20.500 1.00 0.00 H new ATOM 0 HE2 PHE A 53 70.410 -34.058 -23.726 1.00 0.00 H new ATOM 0 HZ PHE A 53 72.403 -35.278 -22.897 1.00 0.00 H new ATOM 837 N ILE A 54 71.352 -29.213 -20.076 1.00 0.00 N ATOM 838 CA ILE A 54 71.849 -28.422 -21.200 1.00 0.00 C ATOM 839 C ILE A 54 73.312 -28.029 -21.001 1.00 0.00 C ATOM 840 O ILE A 54 73.771 -27.847 -19.874 1.00 0.00 O ATOM 841 CB ILE A 54 70.995 -27.166 -21.377 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.471 -26.397 -22.613 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.120 -26.276 -20.139 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.362 -25.455 -23.087 1.00 0.00 C ATOM 0 H ILE A 54 71.539 -28.815 -19.156 1.00 0.00 H new ATOM 0 HA ILE A 54 71.781 -29.037 -22.097 1.00 0.00 H new ATOM 0 HB ILE A 54 69.952 -27.454 -21.506 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.370 -25.828 -22.376 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.735 -27.094 -23.408 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.510 -25.382 -20.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 70.778 -26.824 -19.261 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.162 -25.987 -20.003 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.701 -24.908 -23.967 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.475 -26.036 -23.340 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.119 -24.750 -22.292 1.00 0.00 H new ATOM 856 N LYS A 55 74.036 -27.899 -22.109 1.00 0.00 N ATOM 857 CA LYS A 55 75.446 -27.525 -22.055 1.00 0.00 C ATOM 858 C LYS A 55 75.610 -26.009 -22.149 1.00 0.00 C ATOM 859 O LYS A 55 75.088 -25.374 -23.065 1.00 0.00 O ATOM 860 CB LYS A 55 76.200 -28.190 -23.210 1.00 0.00 C ATOM 861 CG LYS A 55 77.702 -27.938 -23.060 1.00 0.00 C ATOM 862 CD LYS A 55 78.437 -28.522 -24.269 1.00 0.00 C ATOM 863 CE LYS A 55 79.946 -28.409 -24.055 1.00 0.00 C ATOM 864 NZ LYS A 55 80.513 -29.763 -23.798 1.00 0.00 N ATOM 0 H LYS A 55 73.672 -28.046 -23.050 1.00 0.00 H new ATOM 0 HA LYS A 55 75.855 -27.862 -21.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.000 -29.262 -23.218 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.848 -27.793 -24.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.897 -26.868 -22.984 1.00 0.00 H new ATOM 0 HG3 LYS A 55 78.069 -28.395 -22.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.156 -29.566 -24.408 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.147 -27.990 -25.175 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.417 -27.966 -24.933 1.00 0.00 H new ATOM 0 HE3 LYS A 55 80.157 -27.749 -23.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.540 -29.687 -23.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.072 -30.169 -22.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.324 -30.379 -24.614 1.00 0.00 H new ATOM 878 N VAL A 56 76.348 -25.438 -21.201 1.00 0.00 N ATOM 879 CA VAL A 56 76.588 -23.996 -21.188 1.00 0.00 C ATOM 880 C VAL A 56 78.071 -23.709 -20.973 1.00 0.00 C ATOM 881 O VAL A 56 78.835 -24.602 -20.610 1.00 0.00 O ATOM 882 CB VAL A 56 75.764 -23.328 -20.083 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.277 -23.603 -20.316 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.174 -23.890 -18.721 1.00 0.00 C ATOM 0 H VAL A 56 76.789 -25.948 -20.435 1.00 0.00 H new ATOM 0 HA VAL A 56 76.283 -23.587 -22.151 1.00 0.00 H new ATOM 0 HB VAL A 56 75.945 -22.253 -20.101 1.00 0.00 H new ATOM 0 HG11 VAL A 56 73.691 -23.127 -19.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 73.980 -23.200 -21.284 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.099 -24.678 -20.301 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.585 -23.412 -17.938 1.00 0.00 H new ATOM 0 HG22 VAL A 56 75.997 -24.965 -18.703 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.232 -23.694 -18.550 1.00 0.00 H new ATOM 894 N ARG A 57 78.474 -22.460 -21.192 1.00 0.00 N ATOM 895 CA ARG A 57 79.872 -22.080 -21.010 1.00 0.00 C ATOM 896 C ARG A 57 79.982 -21.010 -19.932 1.00 0.00 C ATOM 897 O ARG A 57 79.024 -20.283 -19.672 1.00 0.00 O ATOM 898 CB ARG A 57 80.462 -21.564 -22.326 1.00 0.00 C ATOM 899 CG ARG A 57 79.794 -20.243 -22.710 1.00 0.00 C ATOM 900 CD ARG A 57 80.180 -19.877 -24.144 1.00 0.00 C ATOM 901 NE ARG A 57 81.630 -19.779 -24.268 1.00 0.00 N ATOM 902 CZ ARG A 57 82.219 -19.791 -25.459 1.00 0.00 C ATOM 903 NH1 ARG A 57 81.499 -19.880 -26.543 1.00 0.00 N ATOM 904 NH2 ARG A 57 83.519 -19.710 -25.544 1.00 0.00 N ATOM 0 H ARG A 57 77.861 -21.702 -21.492 1.00 0.00 H new ATOM 0 HA ARG A 57 80.436 -22.959 -20.699 1.00 0.00 H new ATOM 0 HB2 ARG A 57 81.538 -21.421 -22.222 1.00 0.00 H new ATOM 0 HB3 ARG A 57 80.313 -22.301 -23.116 1.00 0.00 H new ATOM 0 HG2 ARG A 57 78.711 -20.332 -22.625 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.104 -19.453 -22.025 1.00 0.00 H new ATOM 0 HD2 ARG A 57 79.799 -20.630 -24.834 1.00 0.00 H new ATOM 0 HD3 ARG A 57 79.719 -18.929 -24.421 1.00 0.00 H new ATOM 0 HE ARG A 57 82.201 -19.700 -23.427 1.00 0.00 H new ATOM 0 HH11 ARG A 57 80.483 -19.940 -26.477 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.952 -19.889 -27.457 1.00 0.00 H new ATOM 0 HH21 ARG A 57 84.082 -19.638 -24.697 1.00 0.00 H new ATOM 0 HH22 ARG A 57 83.972 -19.719 -26.458 1.00 0.00 H new ATOM 918 N GLN A 58 81.139 -20.937 -19.281 1.00 0.00 N ATOM 919 CA GLN A 58 81.318 -19.967 -18.209 1.00 0.00 C ATOM 920 C GLN A 58 82.714 -19.357 -18.204 1.00 0.00 C ATOM 921 O GLN A 58 83.662 -19.928 -18.743 1.00 0.00 O ATOM 922 CB GLN A 58 81.070 -20.659 -16.870 1.00 0.00 C ATOM 923 CG GLN A 58 82.118 -21.758 -16.660 1.00 0.00 C ATOM 924 CD GLN A 58 81.877 -22.466 -15.332 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.196 -21.933 -14.457 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.397 -23.646 -15.128 1.00 0.00 N ATOM 0 H GLN A 58 81.950 -21.525 -19.472 1.00 0.00 H new ATOM 0 HA GLN A 58 80.607 -19.157 -18.371 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.121 -19.933 -16.059 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.068 -21.088 -16.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.071 -22.477 -17.478 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.118 -21.325 -16.674 1.00 0.00 H new ATOM 0 HE21 GLN A 58 82.961 -24.087 -15.854 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.239 -24.127 -14.242 1.00 0.00 H new ATOM 935 N TYR A 59 82.827 -18.196 -17.562 1.00 0.00 N ATOM 936 CA TYR A 59 84.107 -17.504 -17.448 1.00 0.00 C ATOM 937 C TYR A 59 84.459 -17.337 -15.974 1.00 0.00 C ATOM 938 O TYR A 59 83.608 -16.955 -15.170 1.00 0.00 O ATOM 939 CB TYR A 59 84.025 -16.139 -18.127 1.00 0.00 C ATOM 940 CG TYR A 59 83.821 -16.326 -19.612 1.00 0.00 C ATOM 941 CD1 TYR A 59 82.546 -16.615 -20.114 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.909 -16.216 -20.486 1.00 0.00 C ATOM 943 CE1 TYR A 59 82.360 -16.791 -21.491 1.00 0.00 C ATOM 944 CE2 TYR A 59 84.722 -16.392 -21.862 1.00 0.00 C ATOM 945 CZ TYR A 59 83.448 -16.680 -22.365 1.00 0.00 C ATOM 946 OH TYR A 59 83.264 -16.853 -23.721 1.00 0.00 O ATOM 0 H TYR A 59 82.047 -17.716 -17.113 1.00 0.00 H new ATOM 0 HA TYR A 59 84.883 -18.091 -17.940 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.203 -15.561 -17.706 1.00 0.00 H new ATOM 0 HB3 TYR A 59 84.939 -15.574 -17.943 1.00 0.00 H new ATOM 0 HD1 TYR A 59 81.707 -16.702 -19.440 1.00 0.00 H new ATOM 0 HD2 TYR A 59 85.893 -15.995 -20.099 1.00 0.00 H new ATOM 0 HE1 TYR A 59 81.377 -17.012 -21.879 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.561 -16.306 -22.536 1.00 0.00 H new ATOM 0 HH TYR A 59 84.120 -16.741 -24.184 1.00 0.00 H new ATOM 956 N ASP A 60 85.696 -17.661 -15.608 1.00 0.00 N ATOM 957 CA ASP A 60 86.102 -17.574 -14.209 1.00 0.00 C ATOM 958 C ASP A 60 87.095 -16.443 -13.931 1.00 0.00 C ATOM 959 O ASP A 60 87.650 -16.380 -12.834 1.00 0.00 O ATOM 960 CB ASP A 60 86.732 -18.902 -13.783 1.00 0.00 C ATOM 961 CG ASP A 60 85.679 -20.004 -13.797 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.507 -19.676 -13.887 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.058 -21.160 -13.717 1.00 0.00 O ATOM 0 H ASP A 60 86.423 -17.981 -16.248 1.00 0.00 H new ATOM 0 HA ASP A 60 85.201 -17.357 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.549 -19.159 -14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.159 -18.808 -12.785 1.00 0.00 H new ATOM 968 N GLN A 61 87.340 -15.552 -14.892 1.00 0.00 N ATOM 969 CA GLN A 61 88.292 -14.468 -14.648 1.00 0.00 C ATOM 970 C GLN A 61 87.870 -13.170 -15.340 1.00 0.00 C ATOM 971 O GLN A 61 88.665 -12.558 -16.052 1.00 0.00 O ATOM 972 CB GLN A 61 89.684 -14.871 -15.142 1.00 0.00 C ATOM 973 CG GLN A 61 90.217 -16.029 -14.294 1.00 0.00 C ATOM 974 CD GLN A 61 91.609 -16.429 -14.772 1.00 0.00 C ATOM 975 OE1 GLN A 61 91.968 -16.174 -15.921 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.418 -17.041 -13.952 1.00 0.00 N ATOM 0 H GLN A 61 86.909 -15.556 -15.817 1.00 0.00 H new ATOM 0 HA GLN A 61 88.312 -14.290 -13.573 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.637 -15.167 -16.190 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.363 -14.020 -15.081 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.254 -15.735 -13.245 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.541 -16.882 -14.362 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.117 -17.251 -13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.352 -17.310 -14.263 1.00 0.00 H new ATOM 985 N ILE A 62 86.626 -12.748 -15.123 1.00 0.00 N ATOM 986 CA ILE A 62 86.135 -11.512 -15.734 1.00 0.00 C ATOM 987 C ILE A 62 85.780 -10.473 -14.676 1.00 0.00 C ATOM 988 O ILE A 62 85.470 -10.809 -13.530 1.00 0.00 O ATOM 989 CB ILE A 62 84.909 -11.787 -16.605 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.313 -12.669 -17.787 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.346 -10.462 -17.125 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.069 -13.031 -18.600 1.00 0.00 C ATOM 0 H ILE A 62 85.947 -13.235 -14.538 1.00 0.00 H new ATOM 0 HA ILE A 62 86.938 -11.118 -16.356 1.00 0.00 H new ATOM 0 HB ILE A 62 84.149 -12.297 -16.014 1.00 0.00 H new ATOM 0 HG12 ILE A 62 86.032 -12.145 -18.416 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.803 -13.574 -17.429 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.472 -10.657 -17.746 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.059 -9.833 -16.282 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.105 -9.951 -17.717 1.00 0.00 H new ATOM 0 HD11 ILE A 62 84.356 -13.660 -19.443 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.365 -13.571 -17.967 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.599 -12.120 -18.970 1.00 0.00 H new ATOM 1004 N ILE A 63 85.827 -9.205 -15.078 1.00 0.00 N ATOM 1005 CA ILE A 63 85.510 -8.107 -14.174 1.00 0.00 C ATOM 1006 C ILE A 63 84.205 -7.438 -14.593 1.00 0.00 C ATOM 1007 O ILE A 63 83.978 -7.184 -15.775 1.00 0.00 O ATOM 1008 CB ILE A 63 86.639 -7.074 -14.188 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.288 -5.925 -13.241 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.817 -6.528 -15.607 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.513 -5.029 -13.049 1.00 0.00 C ATOM 0 H ILE A 63 86.081 -8.915 -16.022 1.00 0.00 H new ATOM 0 HA ILE A 63 85.399 -8.508 -13.167 1.00 0.00 H new ATOM 0 HB ILE A 63 87.566 -7.546 -13.862 1.00 0.00 H new ATOM 0 HG12 ILE A 63 85.460 -5.345 -13.648 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.959 -6.320 -12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.621 -5.792 -15.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.066 -7.346 -16.283 1.00 0.00 H new ATOM 0 HG23 ILE A 63 85.890 -6.056 -15.934 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.263 -4.210 -12.374 1.00 0.00 H new ATOM 0 HD12 ILE A 63 88.328 -5.614 -12.623 1.00 0.00 H new ATOM 0 HD13 ILE A 63 87.822 -4.624 -14.012 1.00 0.00 H new ATOM 1023 N ILE A 64 83.350 -7.164 -13.614 1.00 0.00 N ATOM 1024 CA ILE A 64 82.064 -6.531 -13.885 1.00 0.00 C ATOM 1025 C ILE A 64 81.983 -5.160 -13.221 1.00 0.00 C ATOM 1026 O ILE A 64 82.368 -5.000 -12.063 1.00 0.00 O ATOM 1027 CB ILE A 64 80.934 -7.421 -13.361 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.017 -8.792 -14.034 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.583 -6.779 -13.676 1.00 0.00 C ATOM 1030 CD1 ILE A 64 80.009 -9.745 -13.387 1.00 0.00 C ATOM 0 H ILE A 64 83.523 -7.369 -12.630 1.00 0.00 H new ATOM 0 HA ILE A 64 81.963 -6.401 -14.962 1.00 0.00 H new ATOM 0 HB ILE A 64 81.034 -7.536 -12.282 1.00 0.00 H new ATOM 0 HG12 ILE A 64 80.811 -8.698 -15.100 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.026 -9.194 -13.939 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.781 -7.416 -13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.524 -5.802 -13.197 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.479 -6.661 -14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.070 -10.721 -13.868 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.236 -9.849 -12.326 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.002 -9.345 -13.505 1.00 0.00 H new ATOM 1042 N GLU A 65 81.474 -4.175 -13.958 1.00 0.00 N ATOM 1043 CA GLU A 65 81.343 -2.828 -13.415 1.00 0.00 C ATOM 1044 C GLU A 65 79.886 -2.536 -13.069 1.00 0.00 C ATOM 1045 O GLU A 65 79.006 -2.613 -13.928 1.00 0.00 O ATOM 1046 CB GLU A 65 81.848 -1.803 -14.432 1.00 0.00 C ATOM 1047 CG GLU A 65 81.838 -0.409 -13.802 1.00 0.00 C ATOM 1048 CD GLU A 65 82.243 0.634 -14.837 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.480 0.253 -15.972 1.00 0.00 O ATOM 1050 OE2 GLU A 65 82.311 1.799 -14.481 1.00 0.00 O ATOM 0 H GLU A 65 81.150 -4.283 -14.919 1.00 0.00 H new ATOM 0 HA GLU A 65 81.942 -2.758 -12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 65 82.857 -2.061 -14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.217 -1.816 -15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 65 80.844 -0.183 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 65 82.524 -0.379 -12.955 1.00 0.00 H new ATOM 1057 N ILE A 66 79.640 -2.200 -11.806 1.00 0.00 N ATOM 1058 CA ILE A 66 78.286 -1.898 -11.357 1.00 0.00 C ATOM 1059 C ILE A 66 78.246 -0.571 -10.607 1.00 0.00 C ATOM 1060 O ILE A 66 79.016 -0.355 -9.671 1.00 0.00 O ATOM 1061 CB ILE A 66 77.782 -3.015 -10.444 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.868 -4.349 -11.188 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.329 -2.738 -10.055 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.537 -5.498 -10.233 1.00 0.00 C ATOM 0 H ILE A 66 80.354 -2.130 -11.081 1.00 0.00 H new ATOM 0 HA ILE A 66 77.643 -1.822 -12.234 1.00 0.00 H new ATOM 0 HB ILE A 66 78.394 -3.059 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 77.175 -4.352 -12.029 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.869 -4.483 -11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.969 -3.534 -9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.268 -1.785 -9.530 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.713 -2.697 -10.953 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.600 -6.445 -10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 66 78.248 -5.500 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.527 -5.368 -9.843 1.00 0.00 H new ATOM 1076 N ALA A 67 77.345 0.314 -11.018 1.00 0.00 N ATOM 1077 CA ALA A 67 77.217 1.612 -10.369 1.00 0.00 C ATOM 1078 C ALA A 67 78.585 2.255 -10.167 1.00 0.00 C ATOM 1079 O ALA A 67 78.865 2.820 -9.109 1.00 0.00 O ATOM 1080 CB ALA A 67 76.521 1.453 -9.017 1.00 0.00 C ATOM 0 H ALA A 67 76.698 0.158 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 67 76.620 2.258 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.429 2.428 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.529 1.027 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.108 0.790 -8.381 1.00 0.00 H new ATOM 1086 N GLY A 68 79.423 2.188 -11.195 1.00 0.00 N ATOM 1087 CA GLY A 68 80.750 2.789 -11.131 1.00 0.00 C ATOM 1088 C GLY A 68 81.677 2.037 -10.180 1.00 0.00 C ATOM 1089 O GLY A 68 82.707 2.569 -9.768 1.00 0.00 O ATOM 0 H GLY A 68 79.209 1.726 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.189 2.803 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.662 3.826 -10.806 1.00 0.00 H new ATOM 1093 N HIS A 69 81.318 0.804 -9.828 1.00 0.00 N ATOM 1094 CA HIS A 69 82.149 0.017 -8.920 1.00 0.00 C ATOM 1095 C HIS A 69 82.692 -1.223 -9.624 1.00 0.00 C ATOM 1096 O HIS A 69 81.971 -1.902 -10.355 1.00 0.00 O ATOM 1097 CB HIS A 69 81.336 -0.408 -7.696 1.00 0.00 C ATOM 1098 CG HIS A 69 80.872 0.812 -6.948 1.00 0.00 C ATOM 1099 ND1 HIS A 69 81.757 1.673 -6.319 1.00 0.00 N ATOM 1100 CD2 HIS A 69 79.620 1.324 -6.714 1.00 0.00 C ATOM 1101 CE1 HIS A 69 81.031 2.649 -5.741 1.00 0.00 C ATOM 1102 NE2 HIS A 69 79.723 2.483 -5.951 1.00 0.00 N ATOM 0 H HIS A 69 80.472 0.335 -10.151 1.00 0.00 H new ATOM 0 HA HIS A 69 82.987 0.638 -8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.478 -1.004 -8.006 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.943 -1.037 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 69 78.695 0.893 -7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 69 81.455 3.466 -5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 69 78.962 3.078 -5.623 1.00 0.00 H new ATOM 1111 N LYS A 70 83.970 -1.510 -9.397 1.00 0.00 N ATOM 1112 CA LYS A 70 84.607 -2.669 -10.012 1.00 0.00 C ATOM 1113 C LYS A 70 84.368 -3.923 -9.177 1.00 0.00 C ATOM 1114 O LYS A 70 84.292 -3.857 -7.950 1.00 0.00 O ATOM 1115 CB LYS A 70 86.112 -2.427 -10.140 1.00 0.00 C ATOM 1116 CG LYS A 70 86.364 -1.264 -11.101 1.00 0.00 C ATOM 1117 CD LYS A 70 87.870 -1.090 -11.306 1.00 0.00 C ATOM 1118 CE LYS A 70 88.128 0.140 -12.177 1.00 0.00 C ATOM 1119 NZ LYS A 70 89.229 -0.155 -13.137 1.00 0.00 N ATOM 0 H LYS A 70 84.582 -0.959 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 70 84.171 -2.815 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.539 -2.203 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.606 -3.328 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.876 -1.455 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.932 -0.347 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 70 88.368 -0.978 -10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 70 88.288 -1.978 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.222 0.412 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 70 88.394 0.992 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 89.406 0.681 -13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 90.093 -0.395 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.957 -0.957 -13.741 1.00 0.00 H new ATOM 1133 N ALA A 71 84.262 -5.065 -9.850 1.00 0.00 N ATOM 1134 CA ALA A 71 84.044 -6.333 -9.164 1.00 0.00 C ATOM 1135 C ALA A 71 84.579 -7.483 -10.012 1.00 0.00 C ATOM 1136 O ALA A 71 84.353 -7.526 -11.221 1.00 0.00 O ATOM 1137 CB ALA A 71 82.550 -6.537 -8.907 1.00 0.00 C ATOM 0 H ALA A 71 84.323 -5.138 -10.866 1.00 0.00 H new ATOM 0 HA ALA A 71 84.573 -6.314 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.395 -7.486 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.173 -5.724 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 71 82.015 -6.546 -9.857 1.00 0.00 H new ATOM 1143 N ILE A 72 85.287 -8.412 -9.378 1.00 0.00 N ATOM 1144 CA ILE A 72 85.843 -9.551 -10.100 1.00 0.00 C ATOM 1145 C ILE A 72 85.324 -10.864 -9.527 1.00 0.00 C ATOM 1146 O ILE A 72 85.361 -11.082 -8.316 1.00 0.00 O ATOM 1147 CB ILE A 72 87.370 -9.528 -10.015 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.892 -8.198 -10.567 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.941 -10.681 -10.842 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.408 -8.120 -10.371 1.00 0.00 C ATOM 0 H ILE A 72 85.488 -8.400 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 72 85.532 -9.477 -11.142 1.00 0.00 H new ATOM 0 HB ILE A 72 87.679 -9.636 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.647 -8.111 -11.626 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.406 -7.366 -10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 72 89.029 -10.667 -10.783 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.569 -11.628 -10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.632 -10.571 -11.882 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.777 -7.173 -10.764 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.641 -8.187 -9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.886 -8.944 -10.900 1.00 0.00 H new ATOM 1162 N GLY A 73 84.840 -11.738 -10.404 1.00 0.00 N ATOM 1163 CA GLY A 73 84.321 -13.026 -9.962 1.00 0.00 C ATOM 1164 C GLY A 73 83.881 -13.882 -11.142 1.00 0.00 C ATOM 1165 O GLY A 73 83.976 -13.466 -12.297 1.00 0.00 O ATOM 0 H GLY A 73 84.797 -11.581 -11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.087 -13.553 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.477 -12.869 -9.290 1.00 0.00 H new ATOM 1169 N THR A 74 83.400 -15.082 -10.837 1.00 0.00 N ATOM 1170 CA THR A 74 82.944 -16.002 -11.872 1.00 0.00 C ATOM 1171 C THR A 74 81.614 -15.535 -12.452 1.00 0.00 C ATOM 1172 O THR A 74 80.711 -15.141 -11.715 1.00 0.00 O ATOM 1173 CB THR A 74 82.786 -17.404 -11.281 1.00 0.00 C ATOM 1174 OG1 THR A 74 84.018 -17.811 -10.702 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.386 -18.387 -12.381 1.00 0.00 C ATOM 0 H THR A 74 83.316 -15.439 -9.885 1.00 0.00 H new ATOM 0 HA THR A 74 83.685 -16.025 -12.671 1.00 0.00 H new ATOM 0 HB THR A 74 82.010 -17.390 -10.516 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.920 -18.708 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.275 -19.384 -11.955 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.440 -18.073 -12.823 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.158 -18.405 -13.151 1.00 0.00 H new ATOM 1183 N VAL A 75 81.498 -15.581 -13.777 1.00 0.00 N ATOM 1184 CA VAL A 75 80.268 -15.156 -14.434 1.00 0.00 C ATOM 1185 C VAL A 75 79.784 -16.216 -15.420 1.00 0.00 C ATOM 1186 O VAL A 75 80.269 -16.299 -16.551 1.00 0.00 O ATOM 1187 CB VAL A 75 80.508 -13.842 -15.179 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.165 -13.216 -15.557 1.00 0.00 C ATOM 1189 CG2 VAL A 75 81.285 -12.879 -14.277 1.00 0.00 C ATOM 0 H VAL A 75 82.231 -15.904 -14.409 1.00 0.00 H new ATOM 0 HA VAL A 75 79.503 -15.014 -13.670 1.00 0.00 H new ATOM 0 HB VAL A 75 81.084 -14.037 -16.084 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.337 -12.280 -16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.612 -13.901 -16.199 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.588 -13.020 -14.653 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.457 -11.942 -14.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 80.710 -12.684 -13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 75 82.243 -13.325 -14.009 1.00 0.00 H new ATOM 1199 N LEU A 76 78.850 -17.048 -14.969 1.00 0.00 N ATOM 1200 CA LEU A 76 78.327 -18.125 -15.800 1.00 0.00 C ATOM 1201 C LEU A 76 77.570 -17.582 -17.010 1.00 0.00 C ATOM 1202 O LEU A 76 76.786 -16.640 -16.900 1.00 0.00 O ATOM 1203 CB LEU A 76 77.383 -18.994 -14.968 1.00 0.00 C ATOM 1204 CG LEU A 76 78.062 -19.368 -13.650 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.187 -20.359 -12.886 1.00 0.00 C ATOM 1206 CD2 LEU A 76 79.417 -20.010 -13.941 1.00 0.00 C ATOM 0 H LEU A 76 78.442 -16.997 -14.036 1.00 0.00 H new ATOM 0 HA LEU A 76 79.171 -18.714 -16.160 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.455 -18.457 -14.772 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.118 -19.895 -15.521 1.00 0.00 H new ATOM 0 HG LEU A 76 78.204 -18.470 -13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.673 -20.624 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.219 -19.904 -12.678 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.044 -21.257 -13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 76 79.902 -20.277 -13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 79.273 -20.907 -14.543 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.044 -19.305 -14.486 1.00 0.00 H new ATOM 1218 N VAL A 77 77.818 -18.198 -18.162 1.00 0.00 N ATOM 1219 CA VAL A 77 77.161 -17.789 -19.400 1.00 0.00 C ATOM 1220 C VAL A 77 76.303 -18.921 -19.955 1.00 0.00 C ATOM 1221 O VAL A 77 76.770 -20.051 -20.121 1.00 0.00 O ATOM 1222 CB VAL A 77 78.207 -17.376 -20.435 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.509 -16.933 -21.721 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.035 -16.215 -19.880 1.00 0.00 C ATOM 0 H VAL A 77 78.466 -18.979 -18.265 1.00 0.00 H new ATOM 0 HA VAL A 77 76.515 -16.939 -19.182 1.00 0.00 H new ATOM 0 HB VAL A 77 78.859 -18.222 -20.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.256 -16.639 -22.458 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.915 -17.758 -22.115 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.857 -16.086 -21.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.783 -15.917 -20.615 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.380 -15.371 -19.666 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.533 -16.529 -18.963 1.00 0.00 H new ATOM 1234 N GLY A 78 75.043 -18.605 -20.242 1.00 0.00 N ATOM 1235 CA GLY A 78 74.115 -19.595 -20.776 1.00 0.00 C ATOM 1236 C GLY A 78 73.242 -18.993 -21.877 1.00 0.00 C ATOM 1237 O GLY A 78 73.310 -17.795 -22.156 1.00 0.00 O ATOM 0 H GLY A 78 74.643 -17.675 -20.114 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.672 -20.444 -21.173 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.483 -19.976 -19.974 1.00 0.00 H new ATOM 1241 N PRO A 79 72.439 -19.809 -22.508 1.00 0.00 N ATOM 1242 CA PRO A 79 71.534 -19.378 -23.616 1.00 0.00 C ATOM 1243 C PRO A 79 70.252 -18.700 -23.126 1.00 0.00 C ATOM 1244 O PRO A 79 69.283 -18.585 -23.877 1.00 0.00 O ATOM 1245 CB PRO A 79 71.209 -20.693 -24.322 1.00 0.00 C ATOM 1246 CG PRO A 79 71.278 -21.734 -23.254 1.00 0.00 C ATOM 1247 CD PRO A 79 72.307 -21.248 -22.230 1.00 0.00 C ATOM 0 HA PRO A 79 72.006 -18.629 -24.252 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.220 -20.661 -24.779 1.00 0.00 H new ATOM 0 HB3 PRO A 79 71.922 -20.899 -25.120 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.303 -21.874 -22.786 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.572 -22.697 -23.671 1.00 0.00 H new ATOM 0 HD2 PRO A 79 71.969 -21.427 -21.209 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.259 -21.765 -22.346 1.00 0.00 H new ATOM 1255 N THR A 80 70.244 -18.256 -21.873 1.00 0.00 N ATOM 1256 CA THR A 80 69.061 -17.601 -21.321 1.00 0.00 C ATOM 1257 C THR A 80 68.700 -16.363 -22.149 1.00 0.00 C ATOM 1258 O THR A 80 69.582 -15.704 -22.699 1.00 0.00 O ATOM 1259 CB THR A 80 69.317 -17.194 -19.866 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.336 -16.250 -19.459 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.705 -16.568 -19.741 1.00 0.00 C ATOM 0 H THR A 80 71.030 -18.335 -21.228 1.00 0.00 H new ATOM 0 HA THR A 80 68.228 -18.303 -21.356 1.00 0.00 H new ATOM 0 HB THR A 80 69.261 -18.078 -19.231 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.498 -15.991 -18.528 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.882 -16.280 -18.705 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.459 -17.291 -20.051 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.765 -15.685 -20.378 1.00 0.00 H new ATOM 1269 N PRO A 81 67.432 -16.038 -22.254 1.00 0.00 N ATOM 1270 CA PRO A 81 66.970 -14.858 -23.038 1.00 0.00 C ATOM 1271 C PRO A 81 67.885 -13.645 -22.874 1.00 0.00 C ATOM 1272 O PRO A 81 68.483 -13.173 -23.841 1.00 0.00 O ATOM 1273 CB PRO A 81 65.585 -14.572 -22.463 1.00 0.00 C ATOM 1274 CG PRO A 81 65.076 -15.885 -21.966 1.00 0.00 C ATOM 1275 CD PRO A 81 66.297 -16.754 -21.642 1.00 0.00 C ATOM 0 HA PRO A 81 66.968 -15.059 -24.109 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.639 -13.842 -21.656 1.00 0.00 H new ATOM 0 HB3 PRO A 81 64.923 -14.158 -23.223 1.00 0.00 H new ATOM 0 HG2 PRO A 81 64.457 -15.747 -21.080 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.452 -16.365 -22.719 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.431 -16.865 -20.566 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.191 -17.757 -22.055 1.00 0.00 H new ATOM 1283 N VAL A 82 67.985 -13.142 -21.647 1.00 0.00 N ATOM 1284 CA VAL A 82 68.825 -11.981 -21.375 1.00 0.00 C ATOM 1285 C VAL A 82 69.797 -12.271 -20.239 1.00 0.00 C ATOM 1286 O VAL A 82 70.324 -13.379 -20.122 1.00 0.00 O ATOM 1287 CB VAL A 82 67.956 -10.776 -21.009 1.00 0.00 C ATOM 1288 CG1 VAL A 82 68.743 -9.483 -21.244 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.702 -10.770 -21.885 1.00 0.00 C ATOM 0 H VAL A 82 67.499 -13.516 -20.832 1.00 0.00 H new ATOM 0 HA VAL A 82 69.396 -11.757 -22.276 1.00 0.00 H new ATOM 0 HB VAL A 82 67.671 -10.842 -19.959 1.00 0.00 H new ATOM 0 HG11 VAL A 82 68.122 -8.626 -20.983 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.639 -9.484 -20.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 69.029 -9.417 -22.294 1.00 0.00 H new ATOM 0 HG21 VAL A 82 66.081 -9.912 -21.626 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.991 -10.705 -22.934 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.139 -11.688 -21.720 1.00 0.00 H new ATOM 1299 N ASN A 83 70.034 -11.263 -19.410 1.00 0.00 N ATOM 1300 CA ASN A 83 70.950 -11.410 -18.283 1.00 0.00 C ATOM 1301 C ASN A 83 70.198 -11.307 -16.957 1.00 0.00 C ATOM 1302 O ASN A 83 69.357 -10.426 -16.774 1.00 0.00 O ATOM 1303 CB ASN A 83 72.037 -10.332 -18.341 1.00 0.00 C ATOM 1304 CG ASN A 83 72.529 -10.169 -19.775 1.00 0.00 C ATOM 1305 OD1 ASN A 83 73.026 -9.105 -20.144 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.413 -11.163 -20.611 1.00 0.00 N ATOM 0 H ASN A 83 69.609 -10.340 -19.494 1.00 0.00 H new ATOM 0 HA ASN A 83 71.413 -12.395 -18.348 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.642 -9.385 -17.973 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.868 -10.606 -17.691 1.00 0.00 H new ATOM 0 HD21 ASN A 83 72.735 -11.060 -21.574 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.001 -12.043 -20.302 1.00 0.00 H new ATOM 1313 N ILE A 84 70.519 -12.207 -16.033 1.00 0.00 N ATOM 1314 CA ILE A 84 69.882 -12.208 -14.720 1.00 0.00 C ATOM 1315 C ILE A 84 70.947 -12.187 -13.628 1.00 0.00 C ATOM 1316 O ILE A 84 71.936 -12.915 -13.706 1.00 0.00 O ATOM 1317 CB ILE A 84 69.003 -13.451 -14.559 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.298 -13.406 -13.201 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.871 -14.708 -14.635 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.123 -14.386 -13.205 1.00 0.00 C ATOM 0 H ILE A 84 71.213 -12.942 -16.168 1.00 0.00 H new ATOM 0 HA ILE A 84 69.257 -11.319 -14.632 1.00 0.00 H new ATOM 0 HB ILE A 84 68.261 -13.472 -15.357 1.00 0.00 H new ATOM 0 HG12 ILE A 84 68.998 -13.664 -12.407 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.943 -12.396 -12.997 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.243 -15.591 -14.520 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.375 -14.744 -15.601 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.615 -14.685 -13.838 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.620 -14.355 -12.238 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.419 -14.107 -13.989 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.491 -15.395 -13.390 1.00 0.00 H new ATOM 1332 N ILE A 85 70.748 -11.347 -12.616 1.00 0.00 N ATOM 1333 CA ILE A 85 71.715 -11.245 -11.528 1.00 0.00 C ATOM 1334 C ILE A 85 71.227 -11.978 -10.284 1.00 0.00 C ATOM 1335 O ILE A 85 70.067 -11.856 -9.889 1.00 0.00 O ATOM 1336 CB ILE A 85 71.971 -9.776 -11.186 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.797 -9.123 -12.301 1.00 0.00 C ATOM 1338 CG2 ILE A 85 72.739 -9.685 -9.866 1.00 0.00 C ATOM 1339 CD1 ILE A 85 71.933 -8.934 -13.550 1.00 0.00 C ATOM 0 H ILE A 85 69.937 -10.735 -12.527 1.00 0.00 H new ATOM 0 HA ILE A 85 72.642 -11.710 -11.862 1.00 0.00 H new ATOM 0 HB ILE A 85 71.017 -9.257 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.180 -8.160 -11.965 1.00 0.00 H new ATOM 0 HG13 ILE A 85 73.661 -9.745 -12.537 1.00 0.00 H new ATOM 0 HG21 ILE A 85 72.921 -8.638 -9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.152 -10.146 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.691 -10.206 -9.963 1.00 0.00 H new ATOM 0 HD11 ILE A 85 72.527 -8.470 -14.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.572 -9.904 -13.893 1.00 0.00 H new ATOM 0 HD13 ILE A 85 71.084 -8.294 -13.311 1.00 0.00 H new ATOM 1351 N GLY A 86 72.130 -12.738 -9.671 1.00 0.00 N ATOM 1352 CA GLY A 86 71.800 -13.490 -8.468 1.00 0.00 C ATOM 1353 C GLY A 86 72.403 -12.836 -7.229 1.00 0.00 C ATOM 1354 O GLY A 86 73.040 -11.785 -7.315 1.00 0.00 O ATOM 0 H GLY A 86 73.093 -12.848 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.717 -13.552 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.170 -14.511 -8.561 1.00 0.00 H new ATOM 1358 N ARG A 87 72.188 -13.463 -6.078 1.00 0.00 N ATOM 1359 CA ARG A 87 72.696 -12.946 -4.812 1.00 0.00 C ATOM 1360 C ARG A 87 74.214 -12.759 -4.840 1.00 0.00 C ATOM 1361 O ARG A 87 74.758 -11.959 -4.079 1.00 0.00 O ATOM 1362 CB ARG A 87 72.331 -13.911 -3.683 1.00 0.00 C ATOM 1363 CG ARG A 87 70.809 -13.977 -3.535 1.00 0.00 C ATOM 1364 CD ARG A 87 70.451 -14.868 -2.344 1.00 0.00 C ATOM 1365 NE ARG A 87 71.022 -16.199 -2.516 1.00 0.00 N ATOM 1366 CZ ARG A 87 71.131 -17.037 -1.491 1.00 0.00 C ATOM 1367 NH1 ARG A 87 70.736 -16.670 -0.303 1.00 0.00 N ATOM 1368 NH2 ARG A 87 71.634 -18.228 -1.673 1.00 0.00 N ATOM 0 H ARG A 87 71.663 -14.334 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 87 72.238 -11.971 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.729 -14.903 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.783 -13.580 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.403 -12.976 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 87 70.361 -14.373 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.824 -14.421 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 87 69.368 -14.940 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 87 71.343 -16.491 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 87 70.343 -15.739 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 87 70.820 -17.314 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 87 71.943 -18.515 -2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 87 71.718 -18.872 -0.886 1.00 0.00 H new ATOM 1382 N ASN A 88 74.897 -13.506 -5.699 1.00 0.00 N ATOM 1383 CA ASN A 88 76.353 -13.411 -5.780 1.00 0.00 C ATOM 1384 C ASN A 88 76.807 -11.966 -5.986 1.00 0.00 C ATOM 1385 O ASN A 88 77.734 -11.501 -5.323 1.00 0.00 O ATOM 1386 CB ASN A 88 76.865 -14.273 -6.934 1.00 0.00 C ATOM 1387 CG ASN A 88 78.390 -14.296 -6.931 1.00 0.00 C ATOM 1388 OD1 ASN A 88 79.023 -13.643 -7.760 1.00 0.00 O ATOM 1389 ND2 ASN A 88 79.020 -15.012 -6.041 1.00 0.00 N ATOM 0 H ASN A 88 74.475 -14.176 -6.342 1.00 0.00 H new ATOM 0 HA ASN A 88 76.765 -13.769 -4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.478 -15.288 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.501 -13.879 -7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 88 80.040 -15.032 -6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.493 -15.552 -5.355 1.00 0.00 H new ATOM 1396 N LEU A 89 76.154 -11.263 -6.904 1.00 0.00 N ATOM 1397 CA LEU A 89 76.512 -9.873 -7.178 1.00 0.00 C ATOM 1398 C LEU A 89 75.767 -8.912 -6.255 1.00 0.00 C ATOM 1399 O LEU A 89 76.333 -7.920 -5.794 1.00 0.00 O ATOM 1400 CB LEU A 89 76.208 -9.529 -8.637 1.00 0.00 C ATOM 1401 CG LEU A 89 77.429 -9.848 -9.501 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.846 -11.303 -9.288 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.082 -9.628 -10.976 1.00 0.00 C ATOM 0 H LEU A 89 75.383 -11.625 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 89 77.580 -9.762 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.345 -10.098 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 75.951 -8.474 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 89 78.252 -9.192 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.716 -11.526 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.096 -11.460 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.024 -11.962 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.952 -9.855 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 89 76.257 -10.283 -11.257 1.00 0.00 H new ATOM 0 HD23 LEU A 89 76.790 -8.589 -11.130 1.00 0.00 H new ATOM 1415 N LEU A 90 74.493 -9.198 -6.004 1.00 0.00 N ATOM 1416 CA LEU A 90 73.680 -8.334 -5.151 1.00 0.00 C ATOM 1417 C LEU A 90 74.348 -8.124 -3.794 1.00 0.00 C ATOM 1418 O LEU A 90 74.394 -7.004 -3.283 1.00 0.00 O ATOM 1419 CB LEU A 90 72.302 -8.963 -4.940 1.00 0.00 C ATOM 1420 CG LEU A 90 71.348 -7.926 -4.345 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.702 -7.123 -5.475 1.00 0.00 C ATOM 1422 CD2 LEU A 90 70.259 -8.636 -3.538 1.00 0.00 C ATOM 0 H LEU A 90 74.004 -10.013 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 90 73.576 -7.368 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.910 -9.330 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.382 -9.822 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 90 71.904 -7.254 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.022 -6.383 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 90 71.477 -6.617 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.146 -7.796 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 90 69.580 -7.896 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.702 -9.308 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.718 -9.210 -2.733 1.00 0.00 H new ATOM 1434 N THR A 91 74.864 -9.204 -3.213 1.00 0.00 N ATOM 1435 CA THR A 91 75.524 -9.115 -1.914 1.00 0.00 C ATOM 1436 C THR A 91 76.935 -8.558 -2.063 1.00 0.00 C ATOM 1437 O THR A 91 77.492 -7.993 -1.122 1.00 0.00 O ATOM 1438 CB THR A 91 75.585 -10.496 -1.257 1.00 0.00 C ATOM 1439 OG1 THR A 91 76.361 -11.370 -2.065 1.00 0.00 O ATOM 1440 CG2 THR A 91 74.170 -11.054 -1.102 1.00 0.00 C ATOM 0 H THR A 91 74.839 -10.141 -3.616 1.00 0.00 H new ATOM 0 HA THR A 91 74.945 -8.440 -1.284 1.00 0.00 H new ATOM 0 HB THR A 91 76.045 -10.411 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.777 -11.829 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 91 74.216 -12.037 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 91 73.580 -10.382 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 73.704 -11.141 -2.083 1.00 0.00 H new ATOM 1448 N GLN A 92 77.509 -8.723 -3.250 1.00 0.00 N ATOM 1449 CA GLN A 92 78.858 -8.234 -3.507 1.00 0.00 C ATOM 1450 C GLN A 92 78.932 -6.729 -3.271 1.00 0.00 C ATOM 1451 O GLN A 92 79.937 -6.218 -2.777 1.00 0.00 O ATOM 1452 CB GLN A 92 79.265 -8.556 -4.947 1.00 0.00 C ATOM 1453 CG GLN A 92 80.772 -8.348 -5.110 1.00 0.00 C ATOM 1454 CD GLN A 92 81.203 -8.762 -6.513 1.00 0.00 C ATOM 1455 OE1 GLN A 92 80.388 -9.255 -7.292 1.00 0.00 O ATOM 1456 NE2 GLN A 92 82.444 -8.597 -6.882 1.00 0.00 N ATOM 0 H GLN A 92 77.066 -9.187 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 92 79.545 -8.730 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.001 -9.585 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.721 -7.916 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.025 -7.302 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.312 -8.934 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.118 -8.188 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.739 -8.877 -7.817 1.00 0.00 H new ATOM 1465 N ILE A 93 77.857 -6.028 -3.616 1.00 0.00 N ATOM 1466 CA ILE A 93 77.806 -4.580 -3.424 1.00 0.00 C ATOM 1467 C ILE A 93 77.834 -4.240 -1.937 1.00 0.00 C ATOM 1468 O ILE A 93 78.348 -3.195 -1.538 1.00 0.00 O ATOM 1469 CB ILE A 93 76.541 -3.997 -4.061 1.00 0.00 C ATOM 1470 CG1 ILE A 93 76.737 -3.843 -5.575 1.00 0.00 C ATOM 1471 CG2 ILE A 93 76.250 -2.627 -3.447 1.00 0.00 C ATOM 1472 CD1 ILE A 93 75.381 -3.601 -6.241 1.00 0.00 C ATOM 0 H ILE A 93 77.016 -6.433 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 93 78.680 -4.142 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 93 75.705 -4.671 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.410 -3.011 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 93 77.201 -4.739 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.350 -2.210 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 93 76.101 -2.734 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 93 77.092 -1.959 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 93 75.518 -3.491 -7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 93 74.723 -4.447 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 93 74.935 -2.692 -5.838 1.00 0.00 H new ATOM 1484 N GLY A 94 77.275 -5.130 -1.123 1.00 0.00 N ATOM 1485 CA GLY A 94 77.237 -4.916 0.319 1.00 0.00 C ATOM 1486 C GLY A 94 76.042 -4.052 0.708 1.00 0.00 C ATOM 1487 O GLY A 94 75.139 -3.826 -0.098 1.00 0.00 O ATOM 0 H GLY A 94 76.845 -6.001 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 94 77.180 -5.876 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 94 78.160 -4.436 0.644 1.00 0.00 H new ATOM 1491 N ALA A 95 76.043 -3.572 1.947 1.00 0.00 N ATOM 1492 CA ALA A 95 74.952 -2.733 2.431 1.00 0.00 C ATOM 1493 C ALA A 95 75.375 -1.268 2.453 1.00 0.00 C ATOM 1494 O ALA A 95 75.415 -0.667 1.391 1.00 0.00 O ATOM 1495 CB ALA A 95 74.540 -3.170 3.838 1.00 0.00 C ATOM 1496 OXT ALA A 95 75.653 -0.768 3.531 1.00 0.00 O ATOM 0 H ALA A 95 76.780 -3.747 2.630 1.00 0.00 H new ATOM 0 HA ALA A 95 74.104 -2.845 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 95 73.725 -2.538 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 95 74.210 -4.209 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 95 75.391 -3.075 4.512 1.00 0.00 H new TER 1502 ALA A 95