USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -110:sc= 0.997 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -167:sc= -2.43! (180deg=-2.58!) USER MOD Set 2.2: A 18 ASN : amide:sc= -1.41 K(o=-3.8,f=-4.9!) USER MOD Set 3.1: A 9 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= -1.12 (180deg=-2.46!) USER MOD Single : A 11 THR OG1 : rot -113:sc= 1.29 USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= -0.0242 (180deg=-2.11!) USER MOD Single : A 21 MET CE :methyl 156:sc= -0.0513 (180deg=-0.553) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0.254 K(o=0.25,f=-2.4!) USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -0.384 (180deg=-2.45!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -145:sc= -1.3 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.0772 (180deg=-0.383) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0425) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 133:sc= -4.97! (180deg=-9.31!) USER MOD Single : A 84 SER OG : rot 70:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.450 -7.004 -6.037 1.00 0.27 N ATOM 68 CA ASN A 6 -3.783 -7.599 -5.989 1.00 0.24 C ATOM 69 C ASN A 6 -4.830 -6.550 -5.617 1.00 0.24 C ATOM 70 O ASN A 6 -4.905 -6.135 -4.465 1.00 0.25 O ATOM 71 CB ASN A 6 -3.813 -8.739 -4.969 1.00 0.28 C ATOM 72 CG ASN A 6 -2.834 -9.844 -5.308 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.692 -9.841 -4.848 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.276 -10.796 -6.121 1.00 0.87 N ATOM 0 HA ASN A 6 -4.017 -7.992 -6.978 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.582 -8.344 -3.980 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.820 -9.152 -4.920 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.661 -11.565 -6.388 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.230 -10.759 -6.479 1.00 0.87 H new ATOM 81 N PRO A 7 -5.674 -6.120 -6.577 1.00 0.25 N ATOM 82 CA PRO A 7 -6.699 -5.106 -6.314 1.00 0.26 C ATOM 83 C PRO A 7 -7.725 -5.582 -5.295 1.00 0.26 C ATOM 84 O PRO A 7 -8.544 -4.804 -4.815 1.00 0.26 O ATOM 85 CB PRO A 7 -7.356 -4.879 -7.681 1.00 0.28 C ATOM 86 CG PRO A 7 -6.417 -5.471 -8.677 1.00 0.43 C ATOM 87 CD PRO A 7 -5.723 -6.596 -7.968 1.00 0.29 C ATOM 0 HA PRO A 7 -6.272 -4.198 -5.888 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.334 -5.358 -7.731 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.511 -3.817 -7.871 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.954 -5.834 -9.553 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.700 -4.729 -9.028 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.275 -7.532 -8.057 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.726 -6.774 -8.370 1.00 0.29 H new ATOM 95 N LYS A 8 -7.688 -6.872 -4.980 1.00 0.30 N ATOM 96 CA LYS A 8 -8.605 -7.435 -4.000 1.00 0.33 C ATOM 97 C LYS A 8 -8.120 -7.133 -2.589 1.00 0.27 C ATOM 98 O LYS A 8 -8.869 -6.627 -1.755 1.00 0.26 O ATOM 99 CB LYS A 8 -8.748 -8.947 -4.194 1.00 0.43 C ATOM 100 CG LYS A 8 -9.224 -9.341 -5.582 1.00 0.77 C ATOM 101 CD LYS A 8 -8.061 -9.500 -6.546 1.00 0.59 C ATOM 102 CE LYS A 8 -8.417 -8.996 -7.934 1.00 0.73 C ATOM 103 NZ LYS A 8 -7.397 -9.389 -8.944 1.00 1.39 N ATOM 0 H LYS A 8 -7.036 -7.543 -5.387 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.583 -6.975 -4.145 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.786 -9.422 -4.001 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.449 -9.335 -3.455 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.781 -10.276 -5.525 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.911 -8.584 -5.961 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.197 -8.953 -6.169 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.774 -10.550 -6.601 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.389 -9.393 -8.226 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -8.509 -7.910 -7.914 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -7.213 -8.588 -9.582 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.516 -9.656 -8.461 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -7.748 -10.197 -9.496 1.00 1.39 H new ATOM 117 N SER A 9 -6.854 -7.450 -2.335 1.00 0.26 N ATOM 118 CA SER A 9 -6.250 -7.224 -1.029 1.00 0.26 C ATOM 119 C SER A 9 -5.902 -5.755 -0.820 1.00 0.19 C ATOM 120 O SER A 9 -6.073 -5.220 0.275 1.00 0.23 O ATOM 121 CB SER A 9 -4.998 -8.089 -0.874 1.00 0.33 C ATOM 122 OG SER A 9 -5.337 -9.460 -0.752 1.00 0.71 O ATOM 0 H SER A 9 -6.225 -7.866 -3.021 1.00 0.26 H new ATOM 0 HA SER A 9 -6.980 -7.505 -0.269 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.346 -7.948 -1.736 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.438 -7.770 0.005 1.00 0.33 H new ATOM 0 HG SER A 9 -4.557 -10.011 -0.974 1.00 0.71 H new ATOM 128 N LEU A 10 -5.413 -5.106 -1.872 1.00 0.15 N ATOM 129 CA LEU A 10 -5.046 -3.699 -1.787 1.00 0.20 C ATOM 130 C LEU A 10 -6.267 -2.837 -1.512 1.00 0.19 C ATOM 131 O LEU A 10 -6.146 -1.646 -1.243 1.00 0.27 O ATOM 132 CB LEU A 10 -4.374 -3.227 -3.079 1.00 0.24 C ATOM 133 CG LEU A 10 -3.106 -3.987 -3.482 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.478 -3.364 -4.718 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.109 -4.013 -2.337 1.00 0.50 C ATOM 0 H LEU A 10 -5.263 -5.530 -2.788 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.341 -3.596 -0.962 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.096 -3.304 -3.892 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.125 -2.171 -2.973 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.386 -5.014 -3.718 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.579 -3.918 -4.988 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.188 -3.400 -5.544 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.216 -2.327 -4.509 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.216 -4.557 -2.644 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.837 -2.992 -2.068 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.557 -4.508 -1.475 1.00 0.50 H new ATOM 147 N THR A 11 -7.446 -3.434 -1.577 1.00 0.14 N ATOM 148 CA THR A 11 -8.668 -2.682 -1.340 1.00 0.18 C ATOM 149 C THR A 11 -9.540 -3.361 -0.291 1.00 0.15 C ATOM 150 O THR A 11 -10.738 -3.093 -0.195 1.00 0.18 O ATOM 151 CB THR A 11 -9.465 -2.493 -2.645 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.147 -3.705 -2.981 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.539 -2.093 -3.794 1.00 0.35 C ATOM 0 H THR A 11 -7.583 -4.422 -1.789 1.00 0.14 H new ATOM 0 HA THR A 11 -8.377 -1.701 -0.965 1.00 0.18 H new ATOM 0 HB THR A 11 -10.192 -1.696 -2.488 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.765 -4.078 -3.803 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.124 -1.965 -4.705 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.039 -1.156 -3.549 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.793 -2.873 -3.948 1.00 0.35 H new ATOM 161 N ASP A 12 -8.928 -4.246 0.494 1.00 0.11 N ATOM 162 CA ASP A 12 -9.632 -4.950 1.550 1.00 0.12 C ATOM 163 C ASP A 12 -9.140 -4.432 2.894 1.00 0.11 C ATOM 164 O ASP A 12 -7.986 -4.666 3.255 1.00 0.10 O ATOM 165 CB ASP A 12 -9.395 -6.457 1.443 1.00 0.14 C ATOM 166 CG ASP A 12 -10.402 -7.260 2.243 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.221 -7.382 3.473 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.371 -7.766 1.641 1.00 0.57 O ATOM 0 H ASP A 12 -7.941 -4.489 0.413 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.703 -4.772 1.455 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.445 -6.756 0.396 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.389 -6.689 1.793 1.00 0.14 H new ATOM 173 N PRO A 13 -9.996 -3.721 3.657 1.00 0.11 N ATOM 174 CA PRO A 13 -9.609 -3.152 4.946 1.00 0.11 C ATOM 175 C PRO A 13 -8.797 -4.105 5.814 1.00 0.12 C ATOM 176 O PRO A 13 -8.119 -3.673 6.740 1.00 0.13 O ATOM 177 CB PRO A 13 -10.948 -2.834 5.600 1.00 0.12 C ATOM 178 CG PRO A 13 -11.820 -2.480 4.452 1.00 0.12 C ATOM 179 CD PRO A 13 -11.400 -3.394 3.327 1.00 0.11 C ATOM 0 HA PRO A 13 -8.955 -2.289 4.821 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.338 -3.689 6.152 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.863 -2.010 6.308 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.872 -2.622 4.700 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.696 -1.433 4.174 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.021 -4.289 3.283 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.481 -2.902 2.358 1.00 0.11 H new ATOM 187 N LYS A 14 -8.877 -5.399 5.533 1.00 0.13 N ATOM 188 CA LYS A 14 -8.109 -6.373 6.298 1.00 0.15 C ATOM 189 C LYS A 14 -6.631 -6.017 6.207 1.00 0.13 C ATOM 190 O LYS A 14 -5.957 -5.815 7.218 1.00 0.16 O ATOM 191 CB LYS A 14 -8.343 -7.788 5.761 1.00 0.18 C ATOM 192 CG LYS A 14 -7.864 -8.893 6.692 1.00 0.34 C ATOM 193 CD LYS A 14 -6.346 -8.991 6.726 1.00 0.60 C ATOM 194 CE LYS A 14 -5.813 -8.781 8.130 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.400 -9.227 8.263 1.00 1.37 N ATOM 0 H LYS A 14 -9.457 -5.795 4.793 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.432 -6.349 7.339 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.408 -7.922 5.573 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.835 -7.890 4.802 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.238 -8.706 7.699 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.282 -9.846 6.368 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.034 -9.969 6.358 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -5.916 -8.246 6.056 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.886 -7.725 8.391 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -6.434 -9.328 8.839 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.144 -9.274 9.270 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.291 -10.168 7.834 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -3.776 -8.551 7.779 1.00 1.37 H new ATOM 209 N LEU A 15 -6.144 -5.942 4.976 1.00 0.09 N ATOM 210 CA LEU A 15 -4.756 -5.601 4.705 1.00 0.08 C ATOM 211 C LEU A 15 -4.505 -4.135 4.992 1.00 0.08 C ATOM 212 O LEU A 15 -3.529 -3.768 5.638 1.00 0.09 O ATOM 213 CB LEU A 15 -4.427 -5.878 3.236 1.00 0.08 C ATOM 214 CG LEU A 15 -4.397 -7.350 2.828 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.382 -8.096 3.665 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.775 -7.976 2.963 1.00 0.12 C ATOM 0 H LEU A 15 -6.700 -6.116 4.139 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.123 -6.211 5.350 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.161 -5.363 2.616 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.455 -5.438 3.012 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.103 -7.417 1.781 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.366 -9.145 3.369 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.394 -7.661 3.513 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.653 -8.021 4.718 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.729 -9.024 2.667 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.107 -7.906 3.999 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.479 -7.448 2.320 1.00 0.12 H new ATOM 228 N LEU A 16 -5.402 -3.306 4.492 1.00 0.10 N ATOM 229 CA LEU A 16 -5.304 -1.869 4.658 1.00 0.12 C ATOM 230 C LEU A 16 -5.086 -1.491 6.122 1.00 0.16 C ATOM 231 O LEU A 16 -4.236 -0.657 6.434 1.00 0.27 O ATOM 232 CB LEU A 16 -6.571 -1.218 4.104 1.00 0.10 C ATOM 233 CG LEU A 16 -7.026 -1.771 2.752 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.399 -1.232 2.384 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.009 -1.442 1.669 1.00 0.18 C ATOM 0 H LEU A 16 -6.218 -3.610 3.960 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.438 -1.504 4.105 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.377 -1.348 4.826 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.401 -0.146 4.006 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.099 -2.856 2.834 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.703 -1.638 1.419 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.121 -1.526 3.145 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.359 -0.144 2.323 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.351 -1.844 0.715 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.900 -0.360 1.589 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.047 -1.886 1.926 1.00 0.18 H new ATOM 247 N LYS A 17 -5.856 -2.104 7.016 1.00 0.14 N ATOM 248 CA LYS A 17 -5.722 -1.840 8.443 1.00 0.17 C ATOM 249 C LYS A 17 -4.452 -2.488 8.977 1.00 0.18 C ATOM 250 O LYS A 17 -3.871 -2.027 9.960 1.00 0.22 O ATOM 251 CB LYS A 17 -6.944 -2.357 9.202 1.00 0.19 C ATOM 252 CG LYS A 17 -8.230 -1.649 8.826 1.00 0.20 C ATOM 253 CD LYS A 17 -9.441 -2.343 9.425 1.00 0.24 C ATOM 254 CE LYS A 17 -10.710 -1.553 9.171 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.913 -2.239 9.717 1.00 0.88 N ATOM 0 H LYS A 17 -6.577 -2.785 6.778 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.657 -0.762 8.593 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.056 -3.424 9.011 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.774 -2.241 10.272 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.193 -0.616 9.172 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.326 -1.618 7.741 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.539 -3.341 8.997 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.297 -2.469 10.498 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.619 -0.566 9.624 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.834 -1.402 8.099 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.602 -2.392 8.953 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.636 -3.156 10.122 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.343 -1.649 10.458 1.00 0.88 H new ATOM 269 N ASN A 18 -4.026 -3.565 8.319 1.00 0.14 N ATOM 270 CA ASN A 18 -2.812 -4.269 8.704 1.00 0.15 C ATOM 271 C ASN A 18 -1.768 -4.072 7.618 1.00 0.13 C ATOM 272 O ASN A 18 -1.415 -5.013 6.912 1.00 0.11 O ATOM 273 CB ASN A 18 -3.086 -5.767 8.897 1.00 0.16 C ATOM 274 CG ASN A 18 -2.244 -6.368 10.006 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.806 -5.667 10.919 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.018 -7.675 9.938 1.00 0.53 N ATOM 0 H ASN A 18 -4.508 -3.967 7.515 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.451 -3.867 9.651 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.142 -5.915 9.125 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.884 -6.294 7.964 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.463 -8.135 10.660 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.400 -8.219 9.164 1.00 0.53 H new ATOM 283 N ILE A 19 -1.293 -2.831 7.480 1.00 0.13 N ATOM 284 CA ILE A 19 -0.303 -2.495 6.460 1.00 0.12 C ATOM 285 C ILE A 19 0.742 -3.598 6.291 1.00 0.10 C ATOM 286 O ILE A 19 1.026 -3.999 5.167 1.00 0.09 O ATOM 287 CB ILE A 19 0.397 -1.148 6.748 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.558 0.026 6.493 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.652 -1.000 5.893 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.035 0.131 5.053 1.00 0.49 C ATOM 0 H ILE A 19 -1.580 -2.045 8.063 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.857 -2.399 5.526 1.00 0.12 H new ATOM 0 HB ILE A 19 0.688 -1.137 7.798 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.425 -0.075 7.146 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.058 0.955 6.768 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.130 -0.045 6.111 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.344 -1.812 6.118 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.380 -1.037 4.838 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.706 0.984 4.953 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.177 0.265 4.394 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.565 -0.781 4.778 1.00 0.49 H new ATOM 302 N PRO A 20 1.354 -4.093 7.388 1.00 0.12 N ATOM 303 CA PRO A 20 2.340 -5.172 7.296 1.00 0.12 C ATOM 304 C PRO A 20 1.835 -6.295 6.405 1.00 0.11 C ATOM 305 O PRO A 20 2.549 -6.802 5.539 1.00 0.14 O ATOM 306 CB PRO A 20 2.444 -5.659 8.737 1.00 0.14 C ATOM 307 CG PRO A 20 2.190 -4.438 9.549 1.00 0.15 C ATOM 308 CD PRO A 20 1.168 -3.640 8.784 1.00 0.14 C ATOM 0 HA PRO A 20 3.289 -4.847 6.869 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.712 -6.438 8.949 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.427 -6.080 8.946 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.820 -4.698 10.541 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.107 -3.865 9.691 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.156 -3.837 9.139 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.338 -2.568 8.885 1.00 0.14 H new ATOM 316 N MET A 21 0.585 -6.668 6.637 1.00 0.10 N ATOM 317 CA MET A 21 -0.078 -7.710 5.872 1.00 0.10 C ATOM 318 C MET A 21 -0.349 -7.209 4.457 1.00 0.08 C ATOM 319 O MET A 21 -0.188 -7.940 3.481 1.00 0.10 O ATOM 320 CB MET A 21 -1.373 -8.094 6.581 1.00 0.13 C ATOM 321 CG MET A 21 -1.832 -9.521 6.328 1.00 0.25 C ATOM 322 SD MET A 21 -0.512 -10.739 6.512 1.00 0.94 S ATOM 323 CE MET A 21 0.197 -10.261 8.086 1.00 0.54 C ATOM 0 H MET A 21 0.001 -6.254 7.364 1.00 0.10 H new ATOM 0 HA MET A 21 0.556 -8.593 5.801 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.240 -7.953 7.654 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.161 -7.411 6.265 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.639 -9.763 7.019 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.243 -9.590 5.321 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.701 -11.118 8.533 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.916 -9.456 7.932 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.594 -9.918 8.752 1.00 0.54 H new ATOM 333 N TRP A 22 -0.789 -5.956 4.362 1.00 0.06 N ATOM 334 CA TRP A 22 -1.039 -5.318 3.080 1.00 0.06 C ATOM 335 C TRP A 22 0.193 -5.445 2.198 1.00 0.06 C ATOM 336 O TRP A 22 0.097 -5.623 0.984 1.00 0.08 O ATOM 337 CB TRP A 22 -1.385 -3.843 3.310 1.00 0.07 C ATOM 338 CG TRP A 22 -1.768 -3.105 2.069 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.978 -3.133 1.439 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.936 -2.222 1.310 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.949 -2.323 0.333 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.707 -1.755 0.229 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.387 -1.781 1.436 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.205 -0.872 -0.720 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.886 -0.902 0.490 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.092 -0.458 -0.577 1.00 0.11 C ATOM 0 H TRP A 22 -0.980 -5.361 5.168 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.876 -5.805 2.580 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.206 -3.781 4.025 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.528 -3.347 3.765 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.832 -3.708 1.764 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.727 -2.168 -0.309 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.005 -2.120 2.254 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.816 -0.525 -1.540 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.904 -0.552 0.575 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.512 0.225 -1.301 1.00 0.11 H new ATOM 357 N LEU A 23 1.352 -5.352 2.836 1.00 0.06 N ATOM 358 CA LEU A 23 2.624 -5.475 2.157 1.00 0.08 C ATOM 359 C LEU A 23 2.923 -6.938 1.846 1.00 0.10 C ATOM 360 O LEU A 23 3.643 -7.243 0.900 1.00 0.13 O ATOM 361 CB LEU A 23 3.730 -4.889 3.029 1.00 0.09 C ATOM 362 CG LEU A 23 3.716 -3.365 3.155 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.738 -2.907 4.182 1.00 0.10 C ATOM 364 CD2 LEU A 23 3.984 -2.714 1.807 1.00 0.10 C ATOM 0 H LEU A 23 1.431 -5.189 3.840 1.00 0.06 H new ATOM 0 HA LEU A 23 2.577 -4.925 1.217 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.653 -5.322 4.027 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.694 -5.196 2.622 1.00 0.09 H new ATOM 0 HG LEU A 23 2.727 -3.057 3.493 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.715 -1.820 4.259 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.501 -3.345 5.152 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.733 -3.227 3.873 1.00 0.10 H new ATOM 0 HD21 LEU A 23 3.970 -1.630 1.917 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.960 -3.029 1.439 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.214 -3.016 1.097 1.00 0.10 H new ATOM 376 N LYS A 24 2.378 -7.837 2.666 1.00 0.10 N ATOM 377 CA LYS A 24 2.570 -9.262 2.470 1.00 0.13 C ATOM 378 C LYS A 24 2.124 -9.664 1.067 1.00 0.13 C ATOM 379 O LYS A 24 2.806 -10.425 0.381 1.00 0.16 O ATOM 380 CB LYS A 24 1.787 -10.052 3.521 1.00 0.17 C ATOM 381 CG LYS A 24 2.601 -11.122 4.220 1.00 0.51 C ATOM 382 CD LYS A 24 2.871 -12.303 3.310 1.00 1.24 C ATOM 383 CE LYS A 24 4.176 -12.137 2.552 1.00 2.30 C ATOM 384 NZ LYS A 24 4.357 -13.191 1.517 1.00 3.29 N ATOM 0 H LYS A 24 1.800 -7.597 3.472 1.00 0.10 H new ATOM 0 HA LYS A 24 3.630 -9.491 2.580 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.400 -9.359 4.268 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.926 -10.519 3.043 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.547 -10.698 4.557 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.069 -11.461 5.109 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.907 -13.218 3.901 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.050 -12.413 2.602 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.198 -11.156 2.078 1.00 2.30 H new ATOM 0 HE3 LYS A 24 5.010 -12.171 3.253 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.260 -13.041 1.023 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.362 -14.126 1.971 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.576 -13.143 0.832 1.00 3.29 H new ATOM 398 N SER A 25 0.970 -9.144 0.649 1.00 0.13 N ATOM 399 CA SER A 25 0.439 -9.431 -0.679 1.00 0.15 C ATOM 400 C SER A 25 1.294 -8.747 -1.742 1.00 0.14 C ATOM 401 O SER A 25 1.158 -9.011 -2.936 1.00 0.20 O ATOM 402 CB SER A 25 -1.022 -8.976 -0.788 1.00 0.20 C ATOM 403 OG SER A 25 -1.871 -9.797 -0.006 1.00 0.96 O ATOM 0 H SER A 25 0.388 -8.523 1.211 1.00 0.13 H new ATOM 0 HA SER A 25 0.471 -10.508 -0.842 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.109 -7.940 -0.460 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.339 -9.008 -1.830 1.00 0.20 H new ATOM 0 HG SER A 25 -2.796 -9.485 -0.091 1.00 0.96 H new ATOM 409 N LEU A 26 2.176 -7.865 -1.282 1.00 0.12 N ATOM 410 CA LEU A 26 3.083 -7.134 -2.162 1.00 0.13 C ATOM 411 C LEU A 26 4.530 -7.510 -1.844 1.00 0.16 C ATOM 412 O LEU A 26 5.468 -6.825 -2.254 1.00 0.28 O ATOM 413 CB LEU A 26 2.893 -5.630 -1.977 1.00 0.14 C ATOM 414 CG LEU A 26 1.443 -5.156 -1.984 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.352 -3.707 -1.530 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.839 -5.323 -3.369 1.00 0.66 C ATOM 0 H LEU A 26 2.282 -7.637 -0.293 1.00 0.12 H new ATOM 0 HA LEU A 26 2.860 -7.398 -3.196 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.351 -5.335 -1.033 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.433 -5.111 -2.769 1.00 0.14 H new ATOM 0 HG LEU A 26 0.875 -5.769 -1.284 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.310 -3.387 -1.542 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.748 -3.617 -0.518 1.00 0.38 H new ATOM 0 HD13 LEU A 26 1.933 -3.077 -2.204 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.196 -4.981 -3.358 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.409 -4.734 -4.088 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.870 -6.374 -3.655 1.00 0.66 H new ATOM 428 N ARG A 27 4.679 -8.600 -1.091 1.00 0.15 N ATOM 429 CA ARG A 27 5.982 -9.122 -0.655 1.00 0.21 C ATOM 430 C ARG A 27 6.897 -8.033 -0.086 1.00 0.21 C ATOM 431 O ARG A 27 8.095 -8.255 0.091 1.00 0.35 O ATOM 432 CB ARG A 27 6.691 -9.913 -1.767 1.00 0.31 C ATOM 433 CG ARG A 27 7.003 -9.128 -3.027 1.00 1.11 C ATOM 434 CD ARG A 27 8.242 -8.259 -2.871 1.00 2.02 C ATOM 435 NE ARG A 27 8.725 -7.761 -4.156 1.00 2.71 N ATOM 436 CZ ARG A 27 9.063 -6.493 -4.379 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.960 -5.593 -3.410 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.503 -6.124 -5.574 1.00 4.34 N ATOM 0 H ARG A 27 3.890 -9.155 -0.760 1.00 0.15 H new ATOM 0 HA ARG A 27 5.766 -9.814 0.159 1.00 0.21 H new ATOM 0 HB2 ARG A 27 7.623 -10.312 -1.368 1.00 0.31 H new ATOM 0 HB3 ARG A 27 6.068 -10.766 -2.036 1.00 0.31 H new ATOM 0 HG2 ARG A 27 7.148 -9.819 -3.857 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.150 -8.499 -3.282 1.00 1.11 H new ATOM 0 HD2 ARG A 27 8.014 -7.417 -2.218 1.00 2.02 H new ATOM 0 HD3 ARG A 27 9.030 -8.835 -2.386 1.00 2.02 H new ATOM 0 HE ARG A 27 8.808 -8.423 -4.927 1.00 2.71 H new ATOM 0 HH11 ARG A 27 8.621 -5.871 -2.489 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.220 -4.623 -3.586 1.00 3.89 H new ATOM 0 HH21 ARG A 27 9.583 -6.812 -6.323 1.00 4.34 H new ATOM 0 HH22 ARG A 27 9.762 -5.152 -5.744 1.00 4.34 H new ATOM 452 N LEU A 28 6.330 -6.866 0.214 1.00 0.14 N ATOM 453 CA LEU A 28 7.100 -5.763 0.786 1.00 0.14 C ATOM 454 C LEU A 28 6.943 -5.744 2.296 1.00 0.13 C ATOM 455 O LEU A 28 7.171 -4.718 2.935 1.00 0.13 O ATOM 456 CB LEU A 28 6.662 -4.419 0.196 1.00 0.16 C ATOM 457 CG LEU A 28 7.044 -4.192 -1.267 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.831 -3.765 -2.078 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.144 -3.148 -1.374 1.00 0.67 C ATOM 0 H LEU A 28 5.341 -6.660 0.071 1.00 0.14 H new ATOM 0 HA LEU A 28 8.150 -5.918 0.536 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.579 -4.336 0.289 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.096 -3.619 0.796 1.00 0.16 H new ATOM 0 HG LEU A 28 7.416 -5.133 -1.672 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.124 -3.609 -3.116 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.069 -4.543 -2.029 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.429 -2.837 -1.671 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.403 -2.999 -2.422 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.795 -2.207 -0.949 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.023 -3.489 -0.827 1.00 0.67 H new ATOM 471 N HIS A 29 6.525 -6.876 2.869 1.00 0.13 N ATOM 472 CA HIS A 29 6.402 -6.978 4.317 1.00 0.13 C ATOM 473 C HIS A 29 7.783 -6.742 4.902 1.00 0.12 C ATOM 474 O HIS A 29 7.964 -6.537 6.100 1.00 0.13 O ATOM 475 CB HIS A 29 5.875 -8.350 4.733 1.00 0.14 C ATOM 476 CG HIS A 29 6.663 -9.488 4.160 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.593 -9.859 2.833 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.547 -10.336 4.740 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.398 -10.885 2.622 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.988 -11.192 3.762 1.00 0.24 N ATOM 0 H HIS A 29 6.270 -7.721 2.357 1.00 0.13 H new ATOM 0 HA HIS A 29 5.690 -6.240 4.686 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.886 -8.421 5.821 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.836 -8.443 4.418 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.848 -10.338 5.777 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.548 -11.387 1.678 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.663 -11.945 3.895 1.00 0.24 H new ATOM 489 N LYS A 30 8.754 -6.814 4.003 1.00 0.12 N ATOM 490 CA LYS A 30 10.148 -6.571 4.312 1.00 0.12 C ATOM 491 C LYS A 30 10.288 -5.169 4.876 1.00 0.11 C ATOM 492 O LYS A 30 11.111 -4.898 5.750 1.00 0.17 O ATOM 493 CB LYS A 30 10.961 -6.697 3.021 1.00 0.15 C ATOM 494 CG LYS A 30 10.233 -6.178 1.797 1.00 0.28 C ATOM 495 CD LYS A 30 11.156 -6.076 0.601 1.00 0.59 C ATOM 496 CE LYS A 30 10.397 -6.223 -0.704 1.00 0.65 C ATOM 497 NZ LYS A 30 11.315 -6.330 -1.871 1.00 0.72 N ATOM 0 H LYS A 30 8.588 -7.047 3.024 1.00 0.12 H new ATOM 0 HA LYS A 30 10.511 -7.292 5.045 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.898 -6.151 3.136 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.219 -7.744 2.864 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.401 -6.841 1.560 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.808 -5.198 2.014 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.669 -5.115 0.618 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.923 -6.848 0.666 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.764 -7.109 -0.658 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.737 -5.366 -0.839 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.957 -7.051 -2.530 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.367 -5.412 -2.357 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 12.263 -6.602 -1.543 1.00 0.72 H new ATOM 511 N TYR A 31 9.453 -4.289 4.344 1.00 0.10 N ATOM 512 CA TYR A 31 9.409 -2.896 4.744 1.00 0.10 C ATOM 513 C TYR A 31 8.179 -2.629 5.592 1.00 0.11 C ATOM 514 O TYR A 31 7.730 -1.490 5.716 1.00 0.16 O ATOM 515 CB TYR A 31 9.390 -2.019 3.501 1.00 0.12 C ATOM 516 CG TYR A 31 10.645 -2.140 2.672 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.901 -1.935 3.231 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.568 -2.474 1.331 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.047 -2.060 2.469 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.709 -2.603 0.564 1.00 0.20 C ATOM 521 CZ TYR A 31 12.946 -2.395 1.136 1.00 0.23 C ATOM 522 OH TYR A 31 14.083 -2.522 0.373 1.00 0.28 O ATOM 0 H TYR A 31 8.781 -4.527 3.615 1.00 0.10 H new ATOM 0 HA TYR A 31 10.292 -2.664 5.339 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.529 -2.287 2.888 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.258 -0.979 3.799 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.982 -1.674 4.276 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.601 -2.636 0.878 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.017 -1.896 2.916 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.633 -2.866 -0.481 1.00 0.20 H new ATOM 0 HH TYR A 31 13.836 -2.763 -0.544 1.00 0.28 H new ATOM 532 N SER A 32 7.632 -3.693 6.170 1.00 0.10 N ATOM 533 CA SER A 32 6.453 -3.578 7.010 1.00 0.12 C ATOM 534 C SER A 32 6.733 -2.666 8.184 1.00 0.13 C ATOM 535 O SER A 32 5.944 -1.790 8.495 1.00 0.16 O ATOM 536 CB SER A 32 6.013 -4.950 7.518 1.00 0.13 C ATOM 537 OG SER A 32 5.231 -4.826 8.691 1.00 1.30 O ATOM 0 H SER A 32 7.989 -4.643 6.070 1.00 0.10 H new ATOM 0 HA SER A 32 5.649 -3.153 6.409 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.439 -5.462 6.745 1.00 0.13 H new ATOM 0 HB3 SER A 32 6.889 -5.565 7.723 1.00 0.13 H new ATOM 0 HG SER A 32 5.414 -5.582 9.287 1.00 1.30 H new ATOM 543 N ASP A 33 7.866 -2.883 8.830 1.00 0.12 N ATOM 544 CA ASP A 33 8.254 -2.071 9.976 1.00 0.14 C ATOM 545 C ASP A 33 8.332 -0.596 9.600 1.00 0.14 C ATOM 546 O ASP A 33 7.922 0.277 10.365 1.00 0.20 O ATOM 547 CB ASP A 33 9.609 -2.536 10.506 1.00 0.17 C ATOM 548 CG ASP A 33 9.918 -1.974 11.880 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.553 -2.622 12.883 1.00 1.00 O ATOM 550 OD2 ASP A 33 10.527 -0.885 11.951 1.00 2.21 O ATOM 0 H ASP A 33 8.534 -3.613 8.583 1.00 0.12 H new ATOM 0 HA ASP A 33 7.496 -2.191 10.750 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.624 -3.625 10.550 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.391 -2.235 9.809 1.00 0.17 H new ATOM 555 N ALA A 34 8.863 -0.334 8.413 1.00 0.12 N ATOM 556 CA ALA A 34 9.023 1.031 7.917 1.00 0.13 C ATOM 557 C ALA A 34 7.717 1.617 7.390 1.00 0.12 C ATOM 558 O ALA A 34 7.535 2.833 7.384 1.00 0.15 O ATOM 559 CB ALA A 34 10.083 1.066 6.828 1.00 0.15 C ATOM 0 H ALA A 34 9.193 -1.053 7.770 1.00 0.12 H new ATOM 0 HA ALA A 34 9.336 1.646 8.760 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.196 2.087 6.463 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.033 0.718 7.234 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.781 0.418 6.005 1.00 0.15 H new ATOM 565 N LEU A 35 6.806 0.756 6.965 1.00 0.10 N ATOM 566 CA LEU A 35 5.540 1.212 6.404 1.00 0.09 C ATOM 567 C LEU A 35 4.358 0.967 7.345 1.00 0.09 C ATOM 568 O LEU A 35 3.248 1.425 7.080 1.00 0.12 O ATOM 569 CB LEU A 35 5.294 0.504 5.070 1.00 0.09 C ATOM 570 CG LEU A 35 5.911 1.160 3.820 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.980 2.197 4.168 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.484 0.088 2.895 1.00 0.14 C ATOM 0 H LEU A 35 6.916 -0.258 6.997 1.00 0.10 H new ATOM 0 HA LEU A 35 5.614 2.289 6.257 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.679 -0.513 5.147 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.217 0.426 4.918 1.00 0.09 H new ATOM 0 HG LEU A 35 5.112 1.694 3.306 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.381 2.628 3.251 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.537 2.986 4.776 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.784 1.717 4.726 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.918 0.561 2.014 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.255 -0.473 3.422 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.688 -0.590 2.587 1.00 0.14 H new ATOM 584 N SER A 36 4.598 0.266 8.445 1.00 0.10 N ATOM 585 CA SER A 36 3.533 -0.049 9.394 1.00 0.10 C ATOM 586 C SER A 36 3.054 1.203 10.116 1.00 0.10 C ATOM 587 O SER A 36 1.852 1.442 10.229 1.00 0.11 O ATOM 588 CB SER A 36 4.007 -1.080 10.422 1.00 0.13 C ATOM 589 OG SER A 36 2.966 -1.419 11.322 1.00 0.95 O ATOM 0 H SER A 36 5.516 -0.095 8.704 1.00 0.10 H new ATOM 0 HA SER A 36 2.703 -0.467 8.825 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.355 -1.977 9.909 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.856 -0.681 10.977 1.00 0.13 H new ATOM 0 HG SER A 36 3.294 -2.080 11.967 1.00 0.95 H new ATOM 595 N GLY A 37 4.004 1.993 10.606 1.00 0.12 N ATOM 596 CA GLY A 37 3.661 3.215 11.310 1.00 0.13 C ATOM 597 C GLY A 37 2.761 4.111 10.487 1.00 0.12 C ATOM 598 O GLY A 37 2.159 5.051 11.009 1.00 0.15 O ATOM 0 H GLY A 37 5.004 1.809 10.528 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.165 2.966 12.248 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.573 3.754 11.566 1.00 0.13 H new ATOM 602 N THR A 38 2.668 3.815 9.194 1.00 0.08 N ATOM 603 CA THR A 38 1.836 4.588 8.293 1.00 0.08 C ATOM 604 C THR A 38 0.657 3.753 7.790 1.00 0.07 C ATOM 605 O THR A 38 0.851 2.657 7.275 1.00 0.08 O ATOM 606 CB THR A 38 2.647 5.097 7.087 1.00 0.09 C ATOM 607 OG1 THR A 38 3.824 5.768 7.543 1.00 0.11 O ATOM 608 CG2 THR A 38 1.815 6.046 6.245 1.00 0.11 C ATOM 0 H THR A 38 3.163 3.041 8.750 1.00 0.08 H new ATOM 0 HA THR A 38 1.459 5.443 8.854 1.00 0.08 H new ATOM 0 HB THR A 38 2.929 4.241 6.474 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.741 6.729 7.369 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.406 6.394 5.398 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.929 5.527 5.880 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.512 6.900 6.851 1.00 0.11 H new ATOM 616 N PRO A 39 -0.582 4.260 7.943 1.00 0.07 N ATOM 617 CA PRO A 39 -1.795 3.559 7.493 1.00 0.08 C ATOM 618 C PRO A 39 -1.851 3.456 5.983 1.00 0.07 C ATOM 619 O PRO A 39 -0.956 3.941 5.300 1.00 0.07 O ATOM 620 CB PRO A 39 -2.927 4.458 7.989 1.00 0.09 C ATOM 621 CG PRO A 39 -2.301 5.799 8.063 1.00 0.09 C ATOM 622 CD PRO A 39 -0.911 5.551 8.559 1.00 0.09 C ATOM 0 HA PRO A 39 -1.843 2.537 7.869 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.775 4.449 7.305 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.299 4.135 8.961 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.291 6.284 7.087 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.850 6.454 8.739 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.222 6.337 8.248 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.870 5.504 9.647 1.00 0.09 H new ATOM 630 N TRP A 40 -2.899 2.830 5.460 1.00 0.07 N ATOM 631 CA TRP A 40 -3.040 2.706 4.018 1.00 0.07 C ATOM 632 C TRP A 40 -3.387 4.053 3.411 1.00 0.07 C ATOM 633 O TRP A 40 -2.762 4.479 2.449 1.00 0.07 O ATOM 634 CB TRP A 40 -4.101 1.667 3.639 1.00 0.08 C ATOM 635 CG TRP A 40 -5.502 2.047 4.017 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.089 1.914 5.242 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.499 2.614 3.155 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.391 2.353 5.191 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.662 2.795 3.927 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.523 2.989 1.807 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.832 3.331 3.399 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.687 3.523 1.288 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.825 3.692 2.083 1.00 0.21 C ATOM 0 H TRP A 40 -3.651 2.407 6.004 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.085 2.364 3.619 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.061 1.500 2.563 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.852 0.720 4.118 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.602 1.521 6.122 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.048 2.349 5.971 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.649 2.864 1.185 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.714 3.457 4.009 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.718 3.815 0.249 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.717 4.117 1.646 1.00 0.21 H new ATOM 654 N ILE A 41 -4.364 4.733 4.001 1.00 0.08 N ATOM 655 CA ILE A 41 -4.792 6.034 3.508 1.00 0.09 C ATOM 656 C ILE A 41 -3.600 6.961 3.305 1.00 0.07 C ATOM 657 O ILE A 41 -3.642 7.871 2.477 1.00 0.08 O ATOM 658 CB ILE A 41 -5.790 6.705 4.471 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.563 7.805 3.744 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.068 7.274 5.687 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.038 7.508 3.615 1.00 0.45 C ATOM 0 H ILE A 41 -4.873 4.404 4.821 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.286 5.861 2.552 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.496 5.951 4.819 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.434 8.746 4.279 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.138 7.943 2.750 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.792 7.743 6.353 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.556 6.470 6.215 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.339 8.017 5.363 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.530 8.327 3.090 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.175 6.583 3.054 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.475 7.399 4.607 1.00 0.45 H new ATOM 673 N GLU A 42 -2.538 6.723 4.068 1.00 0.07 N ATOM 674 CA GLU A 42 -1.335 7.531 3.964 1.00 0.06 C ATOM 675 C GLU A 42 -0.312 6.815 3.097 1.00 0.06 C ATOM 676 O GLU A 42 0.447 7.441 2.356 1.00 0.07 O ATOM 677 CB GLU A 42 -0.758 7.822 5.348 1.00 0.07 C ATOM 678 CG GLU A 42 -1.546 8.863 6.128 1.00 0.09 C ATOM 679 CD GLU A 42 -0.869 9.261 7.424 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.009 10.167 7.390 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.199 8.670 8.473 1.00 2.15 O ATOM 0 H GLU A 42 -2.489 5.978 4.763 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.589 8.484 3.500 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.727 6.896 5.922 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.271 8.164 5.239 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.683 9.749 5.508 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.539 8.471 6.347 1.00 0.09 H new ATOM 688 N LEU A 43 -0.307 5.490 3.200 1.00 0.06 N ATOM 689 CA LEU A 43 0.589 4.655 2.413 1.00 0.07 C ATOM 690 C LEU A 43 0.326 4.899 0.940 1.00 0.08 C ATOM 691 O LEU A 43 1.211 5.297 0.184 1.00 0.10 O ATOM 692 CB LEU A 43 0.340 3.183 2.731 1.00 0.08 C ATOM 693 CG LEU A 43 1.544 2.397 3.255 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.682 2.428 2.253 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.004 2.948 4.591 1.00 0.09 C ATOM 0 H LEU A 43 -0.920 4.969 3.827 1.00 0.06 H new ATOM 0 HA LEU A 43 1.622 4.904 2.655 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.459 3.122 3.470 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.023 2.693 1.828 1.00 0.08 H new ATOM 0 HG LEU A 43 1.236 1.361 3.396 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.528 1.863 2.645 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.352 1.983 1.314 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.985 3.460 2.078 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.861 2.375 4.945 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.290 3.993 4.474 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.192 2.872 5.315 1.00 0.09 H new ATOM 707 N ILE A 44 -0.919 4.651 0.555 1.00 0.09 N ATOM 708 CA ILE A 44 -1.374 4.845 -0.809 1.00 0.10 C ATOM 709 C ILE A 44 -1.184 6.290 -1.258 1.00 0.10 C ATOM 710 O ILE A 44 -1.407 6.624 -2.421 1.00 0.15 O ATOM 711 CB ILE A 44 -2.857 4.448 -0.941 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.762 5.414 -0.166 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.041 3.034 -0.423 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.219 5.346 -0.570 1.00 0.20 C ATOM 0 H ILE A 44 -1.643 4.308 1.186 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.771 4.205 -1.453 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.140 4.498 -1.992 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.680 5.198 0.899 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.401 6.432 -0.313 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.089 2.747 -0.514 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.425 2.350 -1.007 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.741 2.988 0.624 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.794 6.058 0.022 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.315 5.592 -1.627 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.598 4.339 -0.396 1.00 0.20 H new ATOM 726 N TYR A 45 -0.769 7.145 -0.327 1.00 0.08 N ATOM 727 CA TYR A 45 -0.543 8.553 -0.629 1.00 0.08 C ATOM 728 C TYR A 45 0.949 8.888 -0.633 1.00 0.08 C ATOM 729 O TYR A 45 1.349 9.945 -1.122 1.00 0.10 O ATOM 730 CB TYR A 45 -1.282 9.440 0.378 1.00 0.10 C ATOM 731 CG TYR A 45 -2.729 9.736 0.018 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.466 8.892 -0.814 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.360 10.865 0.526 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.787 9.171 -1.124 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.677 11.149 0.218 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.385 10.300 -0.605 1.00 0.16 C ATOM 737 OH TYR A 45 -6.698 10.579 -0.910 1.00 0.19 O ATOM 0 H TYR A 45 -0.583 6.886 0.642 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.935 8.747 -1.627 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.256 8.958 1.355 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.745 10.384 0.474 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.999 8.008 -1.222 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.811 11.533 1.173 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.345 8.508 -1.768 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.149 12.033 0.621 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.968 11.409 -0.464 1.00 0.19 H new ATOM 747 N LEU A 46 1.772 7.991 -0.085 1.00 0.08 N ATOM 748 CA LEU A 46 3.217 8.206 -0.050 1.00 0.09 C ATOM 749 C LEU A 46 3.782 8.265 -1.462 1.00 0.09 C ATOM 750 O LEU A 46 3.040 8.352 -2.441 1.00 0.11 O ATOM 751 CB LEU A 46 3.934 7.081 0.705 1.00 0.10 C ATOM 752 CG LEU A 46 3.449 6.788 2.128 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.361 5.759 2.781 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.403 8.055 2.973 1.00 0.12 C ATOM 0 H LEU A 46 1.464 7.115 0.337 1.00 0.08 H new ATOM 0 HA LEU A 46 3.385 9.152 0.465 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.842 6.166 0.119 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.995 7.325 0.751 1.00 0.10 H new ATOM 0 HG LEU A 46 2.436 6.391 2.066 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.012 5.554 3.793 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.346 4.838 2.198 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.379 6.147 2.820 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.055 7.811 3.976 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.401 8.490 3.031 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.721 8.772 2.517 1.00 0.12 H new ATOM 766 N ASP A 47 5.103 8.210 -1.555 1.00 0.09 N ATOM 767 CA ASP A 47 5.781 8.240 -2.842 1.00 0.10 C ATOM 768 C ASP A 47 7.094 7.474 -2.767 1.00 0.10 C ATOM 769 O ASP A 47 7.556 7.133 -1.679 1.00 0.16 O ATOM 770 CB ASP A 47 6.048 9.683 -3.281 1.00 0.11 C ATOM 771 CG ASP A 47 4.789 10.528 -3.307 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.111 10.551 -4.356 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.482 11.168 -2.280 1.00 0.96 O ATOM 0 H ASP A 47 5.728 8.144 -0.751 1.00 0.09 H new ATOM 0 HA ASP A 47 5.132 7.765 -3.578 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.772 10.137 -2.604 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.499 9.679 -4.273 1.00 0.11 H new ATOM 778 N ASP A 48 7.684 7.199 -3.923 1.00 0.12 N ATOM 779 CA ASP A 48 8.956 6.483 -3.981 1.00 0.14 C ATOM 780 C ASP A 48 9.948 7.100 -3.002 1.00 0.14 C ATOM 781 O ASP A 48 10.764 6.406 -2.396 1.00 0.21 O ATOM 782 CB ASP A 48 9.525 6.527 -5.405 1.00 0.17 C ATOM 783 CG ASP A 48 11.021 6.781 -5.435 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.424 7.961 -5.472 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.789 5.796 -5.420 1.00 1.65 O ATOM 0 H ASP A 48 7.304 7.460 -4.833 1.00 0.12 H new ATOM 0 HA ASP A 48 8.786 5.443 -3.704 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.312 5.582 -5.906 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.017 7.309 -5.970 1.00 0.17 H new ATOM 790 N GLU A 49 9.854 8.414 -2.852 1.00 0.14 N ATOM 791 CA GLU A 49 10.730 9.151 -1.949 1.00 0.16 C ATOM 792 C GLU A 49 10.432 8.819 -0.493 1.00 0.13 C ATOM 793 O GLU A 49 11.284 8.280 0.206 1.00 0.19 O ATOM 794 CB GLU A 49 10.582 10.655 -2.183 1.00 0.23 C ATOM 795 CG GLU A 49 11.448 11.503 -1.265 1.00 0.37 C ATOM 796 CD GLU A 49 11.216 12.989 -1.452 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.335 13.545 -0.763 1.00 0.52 O ATOM 798 OE2 GLU A 49 11.915 13.598 -2.291 1.00 0.51 O ATOM 0 H GLU A 49 9.177 8.995 -3.346 1.00 0.14 H new ATOM 0 HA GLU A 49 11.757 8.852 -2.160 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.837 10.880 -3.219 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.538 10.935 -2.044 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.243 11.235 -0.229 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.498 11.277 -1.451 1.00 0.37 H new ATOM 805 N THR A 50 9.216 9.124 -0.044 1.00 0.11 N ATOM 806 CA THR A 50 8.828 8.869 1.337 1.00 0.10 C ATOM 807 C THR A 50 9.189 7.451 1.750 1.00 0.09 C ATOM 808 O THR A 50 9.721 7.230 2.834 1.00 0.13 O ATOM 809 CB THR A 50 7.321 9.088 1.550 1.00 0.12 C ATOM 810 OG1 THR A 50 6.987 10.466 1.334 1.00 0.19 O ATOM 811 CG2 THR A 50 6.916 8.676 2.956 1.00 0.14 C ATOM 0 H THR A 50 8.486 9.547 -0.617 1.00 0.11 H new ATOM 0 HA THR A 50 9.377 9.578 1.957 1.00 0.10 H new ATOM 0 HB THR A 50 6.779 8.471 0.833 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.025 10.595 1.470 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.846 8.838 3.089 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.145 7.621 3.106 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.466 9.273 3.683 1.00 0.14 H new ATOM 819 N LEU A 51 8.897 6.501 0.874 1.00 0.09 N ATOM 820 CA LEU A 51 9.195 5.098 1.127 1.00 0.11 C ATOM 821 C LEU A 51 10.648 4.939 1.546 1.00 0.11 C ATOM 822 O LEU A 51 10.960 4.181 2.465 1.00 0.14 O ATOM 823 CB LEU A 51 8.906 4.298 -0.133 1.00 0.12 C ATOM 824 CG LEU A 51 7.417 4.062 -0.397 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.183 3.568 -1.815 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.858 3.073 0.614 1.00 0.74 C ATOM 0 H LEU A 51 8.450 6.678 -0.026 1.00 0.09 H new ATOM 0 HA LEU A 51 8.569 4.727 1.938 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.337 4.819 -0.988 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.408 3.333 -0.061 1.00 0.12 H new ATOM 0 HG LEU A 51 6.895 5.012 -0.286 1.00 0.16 H new ATOM 0 HD11 LEU A 51 6.116 3.409 -1.974 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.549 4.311 -2.524 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.716 2.629 -1.966 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.798 2.912 0.418 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.391 2.126 0.529 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.984 3.471 1.621 1.00 0.74 H new ATOM 838 N GLU A 52 11.532 5.656 0.865 1.00 0.10 N ATOM 839 CA GLU A 52 12.949 5.629 1.197 1.00 0.13 C ATOM 840 C GLU A 52 13.125 6.087 2.625 1.00 0.13 C ATOM 841 O GLU A 52 13.787 5.439 3.436 1.00 0.16 O ATOM 842 CB GLU A 52 13.725 6.567 0.282 1.00 0.16 C ATOM 843 CG GLU A 52 15.224 6.574 0.543 1.00 0.33 C ATOM 844 CD GLU A 52 15.949 7.651 -0.239 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.127 7.479 -1.464 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.340 8.667 0.373 1.00 0.52 O ATOM 0 H GLU A 52 11.293 6.262 0.081 1.00 0.10 H new ATOM 0 HA GLU A 52 13.325 4.614 1.071 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.547 6.279 -0.754 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.339 7.579 0.403 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.402 6.722 1.608 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.639 5.600 0.282 1.00 0.33 H new ATOM 853 N LYS A 53 12.517 7.227 2.909 1.00 0.13 N ATOM 854 CA LYS A 53 12.569 7.820 4.232 1.00 0.16 C ATOM 855 C LYS A 53 12.157 6.828 5.319 1.00 0.18 C ATOM 856 O LYS A 53 12.646 6.903 6.447 1.00 0.25 O ATOM 857 CB LYS A 53 11.663 9.039 4.265 1.00 0.17 C ATOM 858 CG LYS A 53 12.300 10.269 3.666 1.00 0.42 C ATOM 859 CD LYS A 53 12.148 10.313 2.162 1.00 0.60 C ATOM 860 CE LYS A 53 13.398 9.806 1.478 1.00 1.54 C ATOM 861 NZ LYS A 53 14.584 10.653 1.785 1.00 2.19 N ATOM 0 H LYS A 53 11.976 7.764 2.231 1.00 0.13 H new ATOM 0 HA LYS A 53 13.599 8.112 4.436 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.743 8.815 3.725 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.384 9.248 5.298 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.848 11.160 4.102 1.00 0.42 H new ATOM 0 HG3 LYS A 53 13.359 10.290 3.924 1.00 0.42 H new ATOM 0 HD2 LYS A 53 11.293 9.708 1.861 1.00 0.60 H new ATOM 0 HD3 LYS A 53 11.943 11.335 1.843 1.00 0.60 H new ATOM 0 HE2 LYS A 53 13.593 8.781 1.793 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.238 9.783 0.400 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 15.304 10.523 1.046 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 14.298 11.652 1.818 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 14.980 10.376 2.706 1.00 2.19 H new ATOM 875 N LYS A 54 11.261 5.903 4.986 1.00 0.13 N ATOM 876 CA LYS A 54 10.809 4.905 5.949 1.00 0.16 C ATOM 877 C LYS A 54 11.862 3.825 6.104 1.00 0.17 C ATOM 878 O LYS A 54 12.361 3.562 7.198 1.00 0.21 O ATOM 879 CB LYS A 54 9.497 4.274 5.483 1.00 0.16 C ATOM 880 CG LYS A 54 8.568 5.260 4.803 1.00 0.25 C ATOM 881 CD LYS A 54 8.162 6.367 5.756 1.00 0.39 C ATOM 882 CE LYS A 54 6.690 6.280 6.097 1.00 0.30 C ATOM 883 NZ LYS A 54 6.442 6.556 7.540 1.00 1.20 N ATOM 0 H LYS A 54 10.836 5.824 4.062 1.00 0.13 H new ATOM 0 HA LYS A 54 10.647 5.395 6.909 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.718 3.459 4.794 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.987 3.837 6.341 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.062 5.689 3.931 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.680 4.740 4.443 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.754 6.301 6.669 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.377 7.336 5.306 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.133 6.993 5.489 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.316 5.287 5.847 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.532 6.140 7.822 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.205 6.138 8.110 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.416 7.584 7.697 1.00 1.20 H new ATOM 897 N GLY A 55 12.188 3.207 4.980 1.00 0.19 N ATOM 898 CA GLY A 55 13.176 2.152 4.954 1.00 0.23 C ATOM 899 C GLY A 55 13.276 1.518 3.584 1.00 0.25 C ATOM 900 O GLY A 55 14.245 0.823 3.279 1.00 0.38 O ATOM 0 H GLY A 55 11.778 3.423 4.071 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.147 2.555 5.241 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.916 1.391 5.690 1.00 0.23 H new ATOM 904 N VAL A 56 12.260 1.756 2.759 1.00 0.17 N ATOM 905 CA VAL A 56 12.228 1.230 1.405 1.00 0.21 C ATOM 906 C VAL A 56 13.296 1.912 0.559 1.00 0.40 C ATOM 907 O VAL A 56 13.034 2.910 -0.109 1.00 0.89 O ATOM 908 CB VAL A 56 10.844 1.442 0.762 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.711 0.627 -0.504 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.727 1.106 1.747 1.00 0.17 C ATOM 0 H VAL A 56 11.444 2.314 3.011 1.00 0.17 H new ATOM 0 HA VAL A 56 12.426 0.159 1.451 1.00 0.21 H new ATOM 0 HB VAL A 56 10.752 2.495 0.498 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.726 0.792 -0.941 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.479 0.931 -1.215 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.832 -0.431 -0.270 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.760 1.264 1.269 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.814 0.064 2.054 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.808 1.750 2.623 1.00 0.17 H new ATOM 920 N LEU A 57 14.500 1.355 0.594 1.00 0.21 N ATOM 921 CA LEU A 57 15.639 1.913 -0.131 1.00 0.26 C ATOM 922 C LEU A 57 15.848 1.244 -1.487 1.00 0.36 C ATOM 923 O LEU A 57 16.889 1.422 -2.118 1.00 0.83 O ATOM 924 CB LEU A 57 16.902 1.756 0.721 1.00 0.34 C ATOM 925 CG LEU A 57 17.141 2.843 1.782 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.831 3.464 2.248 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.891 2.259 2.967 1.00 0.55 C ATOM 0 H LEU A 57 14.716 0.509 1.122 1.00 0.21 H new ATOM 0 HA LEU A 57 15.431 2.966 -0.318 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.859 0.790 1.223 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.764 1.731 0.055 1.00 0.34 H new ATOM 0 HG LEU A 57 17.742 3.630 1.326 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.037 4.228 2.998 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.321 3.917 1.398 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.196 2.692 2.682 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.055 3.037 3.713 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.305 1.452 3.407 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.852 1.868 2.633 1.00 0.55 H new ATOM 939 N ALA A 58 14.859 0.481 -1.931 1.00 0.21 N ATOM 940 CA ALA A 58 14.951 -0.208 -3.213 1.00 0.17 C ATOM 941 C ALA A 58 14.142 0.496 -4.280 1.00 0.13 C ATOM 942 O ALA A 58 12.915 0.479 -4.245 1.00 0.12 O ATOM 943 CB ALA A 58 14.471 -1.641 -3.075 1.00 0.18 C ATOM 0 H ALA A 58 13.987 0.323 -1.426 1.00 0.21 H new ATOM 0 HA ALA A 58 15.998 -0.201 -3.516 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.545 -2.144 -4.039 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.089 -2.163 -2.345 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.433 -1.647 -2.742 1.00 0.18 H new ATOM 949 N LEU A 59 14.832 1.118 -5.232 1.00 0.14 N ATOM 950 CA LEU A 59 14.155 1.796 -6.327 1.00 0.13 C ATOM 951 C LEU A 59 13.154 0.840 -6.941 1.00 0.12 C ATOM 952 O LEU A 59 12.144 1.246 -7.510 1.00 0.14 O ATOM 953 CB LEU A 59 15.158 2.260 -7.388 1.00 0.15 C ATOM 954 CG LEU A 59 15.881 3.572 -7.079 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.929 4.749 -7.218 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.478 3.534 -5.688 1.00 0.27 C ATOM 0 H LEU A 59 15.850 1.165 -5.266 1.00 0.14 H new ATOM 0 HA LEU A 59 13.645 2.679 -5.943 1.00 0.13 H new ATOM 0 HB2 LEU A 59 15.904 1.477 -7.525 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.633 2.369 -8.337 1.00 0.15 H new ATOM 0 HG LEU A 59 16.691 3.697 -7.798 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.460 5.675 -6.995 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.545 4.788 -8.237 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.099 4.630 -6.522 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.988 4.476 -5.485 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.685 3.386 -4.955 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.191 2.713 -5.621 1.00 0.27 H new ATOM 968 N GLY A 60 13.466 -0.445 -6.822 1.00 0.12 N ATOM 969 CA GLY A 60 12.595 -1.470 -7.332 1.00 0.12 C ATOM 970 C GLY A 60 11.375 -1.670 -6.456 1.00 0.11 C ATOM 971 O GLY A 60 10.270 -1.831 -6.956 1.00 0.14 O ATOM 0 H GLY A 60 14.316 -0.791 -6.376 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.277 -1.206 -8.341 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.145 -2.408 -7.406 1.00 0.12 H new ATOM 975 N ALA A 61 11.590 -1.674 -5.142 1.00 0.10 N ATOM 976 CA ALA A 61 10.510 -1.868 -4.176 1.00 0.10 C ATOM 977 C ALA A 61 9.619 -0.634 -4.010 1.00 0.11 C ATOM 978 O ALA A 61 8.402 -0.720 -4.169 1.00 0.16 O ATOM 979 CB ALA A 61 11.080 -2.285 -2.831 1.00 0.13 C ATOM 0 H ALA A 61 12.509 -1.544 -4.719 1.00 0.10 H new ATOM 0 HA ALA A 61 9.875 -2.660 -4.573 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.267 -2.427 -2.119 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.631 -3.219 -2.943 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.752 -1.509 -2.464 1.00 0.13 H new ATOM 985 N ARG A 62 10.220 0.516 -3.684 1.00 0.14 N ATOM 986 CA ARG A 62 9.447 1.733 -3.457 1.00 0.16 C ATOM 987 C ARG A 62 8.701 2.196 -4.697 1.00 0.11 C ATOM 988 O ARG A 62 7.474 2.275 -4.694 1.00 0.11 O ATOM 989 CB ARG A 62 10.327 2.866 -2.917 1.00 0.23 C ATOM 990 CG ARG A 62 11.536 3.222 -3.766 1.00 0.32 C ATOM 991 CD ARG A 62 12.603 3.915 -2.921 1.00 0.23 C ATOM 992 NE ARG A 62 13.695 4.465 -3.729 1.00 0.21 N ATOM 993 CZ ARG A 62 14.762 5.059 -3.204 1.00 0.46 C ATOM 994 NH1 ARG A 62 14.967 5.015 -1.899 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.643 5.667 -3.984 1.00 0.48 N ATOM 0 H ARG A 62 11.228 0.625 -3.573 1.00 0.14 H new ATOM 0 HA ARG A 62 8.702 1.478 -2.704 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.710 3.758 -2.803 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.674 2.589 -1.921 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.950 2.319 -4.215 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.233 3.875 -4.585 1.00 0.32 H new ATOM 0 HD2 ARG A 62 12.141 4.718 -2.347 1.00 0.23 H new ATOM 0 HD3 ARG A 62 13.011 3.204 -2.203 1.00 0.23 H new ATOM 0 HE ARG A 62 13.633 4.388 -4.744 1.00 0.21 H new ATOM 0 HH11 ARG A 62 14.307 4.525 -1.295 1.00 0.81 H new ATOM 0 HH12 ARG A 62 15.786 5.471 -1.496 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.505 5.682 -4.995 1.00 0.48 H new ATOM 0 HH22 ARG A 62 16.459 6.121 -3.574 1.00 0.48 H new ATOM 1009 N ARG A 63 9.442 2.521 -5.744 1.00 0.12 N ATOM 1010 CA ARG A 63 8.831 2.974 -6.989 1.00 0.13 C ATOM 1011 C ARG A 63 7.726 2.010 -7.407 1.00 0.12 C ATOM 1012 O ARG A 63 6.814 2.374 -8.151 1.00 0.14 O ATOM 1013 CB ARG A 63 9.871 3.087 -8.101 1.00 0.16 C ATOM 1014 CG ARG A 63 10.929 4.146 -7.842 1.00 0.79 C ATOM 1015 CD ARG A 63 11.899 4.264 -9.007 1.00 0.75 C ATOM 1016 NE ARG A 63 11.208 4.488 -10.275 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.816 4.897 -11.385 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.121 5.135 -11.383 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.119 5.069 -12.500 1.00 2.47 N ATOM 0 H ARG A 63 10.461 2.481 -5.760 1.00 0.12 H new ATOM 0 HA ARG A 63 8.404 3.962 -6.819 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.360 2.121 -8.229 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.364 3.314 -9.039 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.447 5.108 -7.670 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.478 3.898 -6.934 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.590 5.086 -8.821 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.496 3.354 -9.075 1.00 0.75 H new ATOM 0 HE ARG A 63 10.202 4.321 -10.311 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.662 5.004 -10.528 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.584 5.449 -12.236 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.115 4.888 -12.507 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.587 5.383 -13.350 1.00 2.47 H new ATOM 1033 N LYS A 64 7.821 0.775 -6.921 1.00 0.10 N ATOM 1034 CA LYS A 64 6.829 -0.250 -7.221 1.00 0.13 C ATOM 1035 C LYS A 64 5.590 -0.064 -6.358 1.00 0.11 C ATOM 1036 O LYS A 64 4.468 -0.219 -6.833 1.00 0.12 O ATOM 1037 CB LYS A 64 7.420 -1.634 -6.980 1.00 0.18 C ATOM 1038 CG LYS A 64 6.562 -2.773 -7.504 1.00 0.76 C ATOM 1039 CD LYS A 64 6.626 -2.856 -9.021 1.00 1.33 C ATOM 1040 CE LYS A 64 5.933 -4.103 -9.546 1.00 1.80 C ATOM 1041 NZ LYS A 64 4.485 -4.121 -9.203 1.00 2.52 N ATOM 0 H LYS A 64 8.579 0.460 -6.315 1.00 0.10 H new ATOM 0 HA LYS A 64 6.543 -0.157 -8.269 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.401 -1.686 -7.451 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.573 -1.771 -5.910 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.899 -3.715 -7.071 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.529 -2.629 -7.188 1.00 0.76 H new ATOM 0 HD2 LYS A 64 6.160 -1.971 -9.454 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.668 -2.856 -9.342 1.00 1.33 H new ATOM 0 HE2 LYS A 64 6.050 -4.154 -10.628 1.00 1.80 H new ATOM 0 HE3 LYS A 64 6.415 -4.988 -9.131 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 4.029 -4.934 -9.664 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 4.373 -4.200 -8.172 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 4.039 -3.241 -9.533 1.00 2.52 H new ATOM 1055 N LEU A 65 5.803 0.257 -5.085 1.00 0.11 N ATOM 1056 CA LEU A 65 4.699 0.475 -4.162 1.00 0.11 C ATOM 1057 C LEU A 65 3.766 1.551 -4.692 1.00 0.08 C ATOM 1058 O LEU A 65 2.581 1.580 -4.360 1.00 0.09 O ATOM 1059 CB LEU A 65 5.223 0.874 -2.787 1.00 0.13 C ATOM 1060 CG LEU A 65 5.370 -0.286 -1.808 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.654 -0.149 -1.017 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.168 -0.354 -0.881 1.00 0.23 C ATOM 0 H LEU A 65 6.729 0.371 -4.672 1.00 0.11 H new ATOM 0 HA LEU A 65 4.143 -0.458 -4.070 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.193 1.357 -2.907 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.549 1.614 -2.356 1.00 0.13 H new ATOM 0 HG LEU A 65 5.416 -1.216 -2.374 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.744 -0.984 -0.323 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.504 -0.151 -1.700 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.639 0.787 -0.459 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.289 -1.187 -0.189 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.089 0.576 -0.319 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.262 -0.500 -1.470 1.00 0.23 H new ATOM 1074 N LEU A 66 4.312 2.434 -5.521 1.00 0.08 N ATOM 1075 CA LEU A 66 3.534 3.514 -6.110 1.00 0.09 C ATOM 1076 C LEU A 66 2.411 2.949 -6.968 1.00 0.11 C ATOM 1077 O LEU A 66 1.412 3.623 -7.224 1.00 0.14 O ATOM 1078 CB LEU A 66 4.434 4.435 -6.931 1.00 0.11 C ATOM 1079 CG LEU A 66 5.156 5.511 -6.117 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.532 5.790 -6.695 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.327 6.785 -6.068 1.00 0.14 C ATOM 0 H LEU A 66 5.293 2.421 -5.800 1.00 0.08 H new ATOM 0 HA LEU A 66 3.089 4.102 -5.307 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.178 3.828 -7.448 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.831 4.921 -7.698 1.00 0.11 H new ATOM 0 HG LEU A 66 5.284 5.143 -5.099 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.027 6.558 -6.101 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.127 4.877 -6.676 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.431 6.136 -7.724 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.855 7.540 -5.485 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.167 7.154 -7.081 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.364 6.575 -5.602 1.00 0.14 H new ATOM 1093 N LYS A 67 2.582 1.707 -7.412 1.00 0.12 N ATOM 1094 CA LYS A 67 1.566 1.043 -8.213 1.00 0.16 C ATOM 1095 C LYS A 67 0.417 0.640 -7.314 1.00 0.14 C ATOM 1096 O LYS A 67 -0.752 0.761 -7.676 1.00 0.16 O ATOM 1097 CB LYS A 67 2.131 -0.199 -8.903 1.00 0.22 C ATOM 1098 CG LYS A 67 3.016 0.115 -10.098 1.00 0.84 C ATOM 1099 CD LYS A 67 2.188 0.553 -11.298 1.00 1.26 C ATOM 1100 CE LYS A 67 1.219 -0.535 -11.728 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.923 -1.692 -12.346 1.00 2.20 N ATOM 0 H LYS A 67 3.413 1.144 -7.230 1.00 0.12 H new ATOM 0 HA LYS A 67 1.223 1.734 -8.983 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.705 -0.777 -8.179 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.304 -0.830 -9.230 1.00 0.22 H new ATOM 0 HG2 LYS A 67 3.722 0.902 -9.834 1.00 0.84 H new ATOM 0 HG3 LYS A 67 3.603 -0.765 -10.360 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.634 1.458 -11.049 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.850 0.802 -12.128 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.649 -0.876 -10.864 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.503 -0.123 -12.439 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.223 -2.374 -12.702 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 2.514 -1.358 -13.134 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.525 -2.153 -11.634 1.00 2.20 H new ATOM 1115 N ALA A 68 0.773 0.172 -6.125 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.210 -0.253 -5.146 1.00 0.14 C ATOM 1117 C ALA A 68 -0.930 0.954 -4.563 1.00 0.13 C ATOM 1118 O ALA A 68 -2.105 0.884 -4.222 1.00 0.23 O ATOM 1119 CB ALA A 68 0.463 -1.059 -4.043 1.00 0.17 C ATOM 0 H ALA A 68 1.741 0.078 -5.817 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.946 -0.888 -5.639 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.284 -1.373 -3.314 1.00 0.17 H new ATOM 0 HB2 ALA A 68 0.940 -1.939 -4.475 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.215 -0.443 -3.550 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.213 2.065 -4.471 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.762 3.297 -3.928 1.00 0.11 C ATOM 1127 C PHE A 69 -1.941 3.805 -4.758 1.00 0.10 C ATOM 1128 O PHE A 69 -2.950 4.250 -4.210 1.00 0.12 O ATOM 1129 CB PHE A 69 0.331 4.370 -3.878 1.00 0.11 C ATOM 1130 CG PHE A 69 1.431 4.113 -2.874 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.354 3.065 -1.964 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.545 4.937 -2.841 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.364 2.850 -1.047 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.559 4.723 -1.925 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.467 3.680 -1.026 1.00 0.12 C ATOM 0 H PHE A 69 0.760 2.137 -4.769 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.126 3.086 -2.922 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.777 4.460 -4.869 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.133 5.330 -3.649 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.494 2.411 -1.974 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.622 5.757 -3.540 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.291 2.032 -0.346 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.422 5.372 -1.913 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.256 3.513 -0.308 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.808 3.734 -6.078 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.857 4.218 -6.960 1.00 0.13 C ATOM 1147 C GLY A 70 -4.074 3.316 -7.034 1.00 0.13 C ATOM 1148 O GLY A 70 -5.203 3.784 -6.888 1.00 0.13 O ATOM 0 H GLY A 70 -0.992 3.350 -6.555 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.171 5.206 -6.624 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.446 4.338 -7.963 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.853 2.028 -7.264 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.954 1.075 -7.369 1.00 0.15 C ATOM 1154 C ILE A 71 -5.856 1.144 -6.142 1.00 0.13 C ATOM 1155 O ILE A 71 -7.069 0.973 -6.244 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.429 -0.361 -7.548 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.454 -0.417 -8.726 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.581 -1.331 -7.769 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.425 -1.514 -8.605 1.00 0.25 C ATOM 0 H ILE A 71 -2.926 1.619 -7.381 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.537 1.347 -8.249 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.905 -0.656 -6.639 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.018 -0.559 -9.648 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.943 0.542 -8.810 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.188 -2.340 -7.893 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.249 -1.305 -6.908 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.132 -1.043 -8.664 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.768 -1.494 -9.475 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.835 -1.362 -7.701 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.927 -2.480 -8.552 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.259 1.402 -4.985 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.024 1.506 -3.744 1.00 0.11 C ATOM 1173 C VAL A 72 -6.855 2.782 -3.741 1.00 0.12 C ATOM 1174 O VAL A 72 -8.028 2.777 -3.366 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.114 1.509 -2.502 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.943 1.600 -1.226 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.217 0.280 -2.481 1.00 0.12 C ATOM 0 H VAL A 72 -4.254 1.543 -4.878 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.672 0.631 -3.698 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.474 2.390 -2.554 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.280 1.601 -0.361 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.527 2.520 -1.236 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.615 0.744 -1.167 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.584 0.306 -1.594 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.832 -0.619 -2.461 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.591 0.271 -3.373 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.223 3.872 -4.162 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.863 5.181 -4.211 1.00 0.16 C ATOM 1189 C ILE A 73 -8.116 5.179 -5.083 1.00 0.19 C ATOM 1190 O ILE A 73 -9.191 5.571 -4.638 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.876 6.244 -4.740 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.874 6.626 -3.652 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.622 7.472 -5.237 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.713 7.456 -4.155 1.00 0.16 C ATOM 0 H ILE A 73 -5.253 3.873 -4.479 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.161 5.425 -3.191 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.329 5.818 -5.581 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.394 7.181 -2.871 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.486 5.717 -3.193 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.907 8.208 -5.605 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.296 7.186 -6.044 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.198 7.904 -4.419 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.045 7.688 -3.325 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.167 6.896 -4.915 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.089 8.383 -4.588 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.964 4.769 -6.332 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.087 4.722 -7.264 1.00 0.21 C ATOM 1208 C ASP A 74 -10.230 3.877 -6.709 1.00 0.19 C ATOM 1209 O ASP A 74 -11.360 4.354 -6.605 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.635 4.163 -8.614 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.535 4.602 -9.752 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.555 3.925 -9.997 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.221 5.623 -10.399 1.00 0.61 O ATOM 0 H ASP A 74 -7.075 4.463 -6.727 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.449 5.741 -7.401 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.614 4.488 -8.815 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.619 3.074 -8.566 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.949 2.621 -6.359 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.975 1.752 -5.811 1.00 0.25 C ATOM 1220 C TYR A 75 -11.579 2.382 -4.564 1.00 0.27 C ATOM 1221 O TYR A 75 -12.761 2.203 -4.276 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.405 0.362 -5.536 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.232 -0.447 -6.804 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.266 -0.538 -7.725 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -9.046 -1.110 -7.087 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.128 -1.265 -8.890 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.900 -1.840 -8.252 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.943 -1.914 -9.149 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.798 -2.642 -10.307 1.00 1.24 O ATOM 0 H TYR A 75 -9.028 2.192 -6.446 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.776 1.632 -6.540 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.442 0.459 -5.035 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.067 -0.172 -4.854 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.198 -0.030 -7.526 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.225 -1.055 -6.387 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.945 -1.324 -9.594 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.971 -2.351 -8.458 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.901 -3.036 -10.336 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.755 3.122 -3.830 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.214 3.834 -2.657 1.00 0.30 C ATOM 1241 C LYS A 76 -12.258 4.848 -3.105 1.00 0.37 C ATOM 1242 O LYS A 76 -13.336 4.978 -2.526 1.00 0.51 O ATOM 1243 CB LYS A 76 -10.026 4.554 -2.004 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.394 5.879 -1.364 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.184 6.788 -1.198 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.524 6.607 0.158 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.531 6.496 1.250 1.00 1.66 N ATOM 0 H LYS A 76 -9.763 3.241 -4.033 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.648 3.147 -1.931 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.590 3.903 -1.246 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.257 4.725 -2.758 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.143 6.381 -1.976 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -10.847 5.697 -0.390 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.460 6.577 -1.985 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.491 7.827 -1.317 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.902 5.712 0.144 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.863 7.451 0.357 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -9.289 5.693 1.865 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.534 7.372 1.810 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -10.474 6.345 0.838 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.888 5.557 -4.163 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.713 6.577 -4.778 1.00 0.36 C ATOM 1263 C GLU A 77 -13.955 5.971 -5.429 1.00 0.34 C ATOM 1264 O GLU A 77 -14.946 6.663 -5.662 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.859 7.302 -5.815 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.821 8.221 -5.196 1.00 0.49 C ATOM 1267 CD GLU A 77 -11.322 9.643 -5.030 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -11.903 9.947 -3.967 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -11.133 10.453 -5.962 1.00 1.16 O ATOM 0 H GLU A 77 -10.987 5.433 -4.624 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.065 7.275 -4.018 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.356 6.565 -6.441 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.508 7.885 -6.468 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.528 7.828 -4.223 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.927 8.226 -5.820 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.893 4.673 -5.718 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.011 3.970 -6.339 1.00 0.33 C ATOM 1278 C ARG A 78 -15.953 3.407 -5.285 1.00 0.36 C ATOM 1279 O ARG A 78 -16.858 2.635 -5.601 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.506 2.822 -7.212 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.828 3.262 -8.497 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.500 2.067 -9.375 1.00 0.42 C ATOM 1283 NE ARG A 78 -12.876 2.462 -10.634 1.00 1.15 N ATOM 1284 CZ ARG A 78 -12.870 1.701 -11.723 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.455 0.510 -11.706 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.282 2.129 -12.831 1.00 2.37 N ATOM 0 H ARG A 78 -13.079 4.087 -5.531 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.549 4.691 -6.955 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.804 2.222 -6.632 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.347 2.175 -7.462 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.478 3.949 -9.039 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -12.914 3.807 -8.262 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.832 1.395 -8.836 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.413 1.510 -9.583 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.419 3.373 -10.680 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.910 0.178 -10.856 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.449 -0.073 -12.543 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -11.833 3.045 -12.849 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.279 1.543 -13.666 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.734 3.795 -4.033 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.553 3.309 -2.930 1.00 0.43 C ATOM 1302 C ASP A 79 -16.451 1.790 -2.850 1.00 0.40 C ATOM 1303 O ASP A 79 -17.330 1.116 -2.312 1.00 0.47 O ATOM 1304 CB ASP A 79 -18.011 3.740 -3.112 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.858 3.454 -1.888 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.750 4.211 -0.901 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.632 2.473 -1.917 1.00 2.00 O ATOM 0 H ASP A 79 -14.997 4.444 -3.758 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.187 3.741 -1.998 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.046 4.807 -3.333 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.435 3.222 -3.972 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.355 1.263 -3.391 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.106 -0.172 -3.402 1.00 0.32 C ATOM 1314 C LEU A 80 -14.469 -0.609 -2.092 1.00 0.31 C ATOM 1315 O LEU A 80 -14.581 -1.766 -1.685 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.206 -0.532 -4.583 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.851 -1.407 -5.646 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.099 -0.572 -6.868 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.948 -2.573 -5.997 1.00 0.39 C ATOM 0 H LEU A 80 -14.620 1.817 -3.831 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.055 -0.696 -3.511 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.864 0.390 -5.053 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.321 -1.043 -4.203 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.791 -1.806 -5.265 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.562 -1.186 -7.640 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -15.763 0.255 -6.615 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.152 -0.177 -7.237 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.427 -3.188 -6.759 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.999 -2.196 -6.378 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.768 -3.175 -5.106 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.795 0.331 -1.436 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.149 0.062 -0.162 1.00 0.14 C ATOM 1333 C ILE A 81 -14.061 0.460 0.988 1.00 0.13 C ATOM 1334 O ILE A 81 -14.644 1.544 0.984 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.814 0.821 -0.027 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.845 0.384 -1.129 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.203 0.583 1.353 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.512 1.097 -1.089 1.00 0.17 C ATOM 0 H ILE A 81 -13.684 1.288 -1.770 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.946 -1.008 -0.125 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.005 1.889 -0.137 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.675 -0.689 -1.045 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.311 0.558 -2.099 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.261 1.126 1.432 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.891 0.936 2.121 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.021 -0.483 1.491 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.881 0.734 -1.900 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.669 2.169 -1.204 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.024 0.902 -0.134 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.181 -0.426 1.965 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.023 -0.171 3.121 1.00 0.13 C ATOM 1352 C ASP A 82 -14.551 1.071 3.862 1.00 0.13 C ATOM 1353 O ASP A 82 -13.356 1.243 4.101 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.993 -1.369 4.066 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.247 -1.477 4.910 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.484 -0.572 5.737 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -16.989 -2.468 4.748 1.00 0.47 O ATOM 0 H ASP A 82 -13.705 -1.328 1.979 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.043 -0.009 2.773 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.871 -2.283 3.484 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.125 -1.289 4.720 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.493 1.936 4.219 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.164 3.152 4.947 1.00 0.16 C ATOM 1364 C ARG A 83 -14.545 2.802 6.292 1.00 0.18 C ATOM 1365 O ARG A 83 -13.978 3.658 6.972 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.410 4.021 5.135 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.855 4.717 3.859 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.865 5.794 3.437 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.060 6.209 2.050 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.808 7.246 1.686 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.441 7.968 2.602 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.926 7.563 0.404 1.00 1.48 N ATOM 0 H ARG A 83 -16.486 1.818 4.017 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.439 3.722 4.367 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.225 3.400 5.505 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.209 4.772 5.899 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.958 3.983 3.060 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.838 5.164 4.011 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.971 6.659 4.092 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.849 5.421 3.563 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.595 5.672 1.318 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.355 7.728 3.590 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.014 8.763 2.318 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.443 7.011 -0.304 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.500 8.359 0.126 1.00 1.48 H new ATOM 1386 N SER A 84 -14.666 1.533 6.674 1.00 0.17 N ATOM 1387 CA SER A 84 -14.105 1.055 7.928 1.00 0.20 C ATOM 1388 C SER A 84 -12.586 1.152 7.891 1.00 0.19 C ATOM 1389 O SER A 84 -11.941 1.354 8.920 1.00 0.23 O ATOM 1390 CB SER A 84 -14.533 -0.389 8.192 1.00 0.22 C ATOM 1391 OG SER A 84 -15.940 -0.487 8.338 1.00 1.09 O ATOM 0 H SER A 84 -15.149 0.818 6.130 1.00 0.17 H new ATOM 0 HA SER A 84 -14.481 1.681 8.737 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.205 -1.025 7.370 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.044 -0.757 9.094 1.00 0.22 H new ATOM 0 HG SER A 84 -16.371 -0.323 7.473 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.017 1.005 6.694 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.573 1.095 6.525 1.00 0.16 C ATOM 1399 C ALA A 85 -10.123 2.536 6.696 1.00 0.19 C ATOM 1400 O ALA A 85 -9.126 2.816 7.361 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.156 0.567 5.158 1.00 0.14 C ATOM 0 H ALA A 85 -12.534 0.824 5.833 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.093 0.480 7.286 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.074 0.644 5.053 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.457 -0.476 5.064 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.639 1.156 4.378 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.885 3.442 6.088 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.598 4.877 6.154 1.00 0.25 C ATOM 1409 C TYR A 86 -10.160 5.291 7.557 1.00 0.31 C ATOM 1410 O TYR A 86 -11.040 5.440 8.430 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.832 5.688 5.746 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.125 5.674 4.260 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.070 4.497 3.531 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.465 6.844 3.591 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.345 4.479 2.177 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.740 6.837 2.237 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.680 5.652 1.534 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.957 5.639 0.188 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.942 5.465 7.768 1.00 1.02 O ATOM 0 H TYR A 86 -11.712 3.208 5.540 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.782 5.081 5.461 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.700 5.300 6.279 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.696 6.721 6.068 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -11.807 3.576 4.031 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.515 7.774 4.138 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.298 3.552 1.625 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -13.001 7.755 1.732 1.00 0.44 H new ATOM 0 HH TYR A 86 -13.176 6.547 -0.110 1.00 0.40 H new