USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.428 USER MOD Set 1.2: A 100 THR OG1 : rot -67:sc= 0.471 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -158:sc=-0.000315 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl -115:sc= -2.71 (180deg=-8.7!) USER MOD Set 3.1: A 45 SER OG : rot 160:sc= 0.00634 USER MOD Set 3.2: A 61 GLN :FLIP amide:sc= -0.272 F(o=-1,f=-0.27) USER MOD Set 4.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 43 CYS SG : rot 13:sc= 0.443 USER MOD Set 5.1: A 18 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.0025) USER MOD Set 5.2: A 27 GLN : amide:sc= 0 X(o=-0.29,f=0.12) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.418 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -100:sc= -1.87 USER MOD Single : A 44 TYR OH : rot 0:sc= -1.56 USER MOD Single : A 48 MET CE :methyl -148:sc= -0.12 (180deg=-1.59) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc=-0.000144 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -92:sc= -0.0421 USER MOD Single : A 68 THR OG1 : rot -161:sc= -1 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -54:sc= 0.0632 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0.00505 (180deg=0.00237) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.00574 USER MOD Single : A 79 SER OG : rot -8:sc= 0.818! USER MOD Single : A 86 ASN : amide:sc= -3.11! C(o=-3.1!,f=-15!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.415 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.565 16.735 4.597 1.00 0.00 N ATOM 67 CA PRO A 8 9.869 15.570 4.042 1.00 0.00 C ATOM 68 C PRO A 8 8.936 15.945 2.895 1.00 0.00 C ATOM 69 O PRO A 8 8.555 17.103 2.726 1.00 0.00 O ATOM 70 CB PRO A 8 9.067 15.036 5.231 1.00 0.00 C ATOM 71 CG PRO A 8 8.866 16.219 6.114 1.00 0.00 C ATOM 72 CD PRO A 8 10.094 17.071 5.951 1.00 0.00 C ATOM 0 HA PRO A 8 10.563 14.844 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.114 14.616 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.607 14.243 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.969 16.769 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.738 15.914 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.862 18.132 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.846 16.841 6.706 1.00 0.00 H new ATOM 80 N PRO A 9 8.557 14.943 2.088 1.00 0.00 N ATOM 81 CA PRO A 9 7.663 15.143 0.944 1.00 0.00 C ATOM 82 C PRO A 9 6.236 15.467 1.373 1.00 0.00 C ATOM 83 O PRO A 9 5.754 14.965 2.387 1.00 0.00 O ATOM 84 CB PRO A 9 7.710 13.797 0.217 1.00 0.00 C ATOM 85 CG PRO A 9 8.071 12.809 1.272 1.00 0.00 C ATOM 86 CD PRO A 9 8.973 13.537 2.230 1.00 0.00 C ATOM 0 HA PRO A 9 7.973 15.987 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.748 13.558 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.447 13.806 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.181 12.438 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.576 11.945 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.845 13.181 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.024 13.401 1.975 1.00 0.00 H new ATOM 94 N GLY A 10 5.565 16.309 0.593 1.00 0.00 N ATOM 95 CA GLY A 10 4.199 16.685 0.910 1.00 0.00 C ATOM 96 C GLY A 10 3.254 15.500 0.899 1.00 0.00 C ATOM 97 O GLY A 10 3.672 14.346 0.798 1.00 0.00 O ATOM 0 H GLY A 10 5.942 16.737 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.174 17.157 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.854 17.428 0.191 1.00 0.00 H new ATOM 101 N PRO A 11 1.947 15.779 1.006 1.00 0.00 N ATOM 102 CA PRO A 11 0.913 14.740 1.012 1.00 0.00 C ATOM 103 C PRO A 11 0.758 14.070 -0.349 1.00 0.00 C ATOM 104 O PRO A 11 0.285 14.686 -1.305 1.00 0.00 O ATOM 105 CB PRO A 11 -0.360 15.508 1.378 1.00 0.00 C ATOM 106 CG PRO A 11 -0.097 16.907 0.939 1.00 0.00 C ATOM 107 CD PRO A 11 1.377 17.132 1.130 1.00 0.00 C ATOM 0 HA PRO A 11 1.152 13.931 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.232 15.092 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.558 15.460 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.381 17.048 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.679 17.616 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.781 17.809 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.594 17.572 2.104 1.00 0.00 H new ATOM 115 N CYS A 12 1.157 12.805 -0.429 1.00 0.00 N ATOM 116 CA CYS A 12 1.062 12.051 -1.674 1.00 0.00 C ATOM 117 C CYS A 12 -0.395 11.788 -2.040 1.00 0.00 C ATOM 118 O CYS A 12 -1.306 12.095 -1.270 1.00 0.00 O ATOM 119 CB CYS A 12 1.816 10.726 -1.550 1.00 0.00 C ATOM 120 SG CYS A 12 3.519 10.898 -0.965 1.00 0.00 S ATOM 0 H CYS A 12 1.549 12.280 0.353 1.00 0.00 H new ATOM 0 HA CYS A 12 1.515 12.646 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.273 10.073 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.825 10.233 -2.522 1.00 0.00 H new ATOM 0 HG CYS A 12 4.073 9.724 -0.891 1.00 0.00 H new ATOM 126 N LEU A 13 -0.609 11.219 -3.222 1.00 0.00 N ATOM 127 CA LEU A 13 -1.956 10.916 -3.692 1.00 0.00 C ATOM 128 C LEU A 13 -2.353 9.490 -3.326 1.00 0.00 C ATOM 129 O LEU A 13 -1.509 8.630 -3.073 1.00 0.00 O ATOM 130 CB LEU A 13 -2.043 11.109 -5.207 1.00 0.00 C ATOM 131 CG LEU A 13 -2.274 12.541 -5.690 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.924 12.671 -7.164 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.716 12.961 -5.444 1.00 0.00 C ATOM 0 H LEU A 13 0.133 10.959 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.648 11.602 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.119 10.741 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.851 10.484 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.621 13.204 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.095 13.697 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.876 12.413 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.550 11.996 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.862 13.983 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.387 12.293 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.933 12.908 -4.377 1.00 0.00 H new ATOM 145 N PRO A 14 -3.668 9.230 -3.298 1.00 0.00 N ATOM 146 CA PRO A 14 -4.207 7.908 -2.966 1.00 0.00 C ATOM 147 C PRO A 14 -3.928 6.878 -4.055 1.00 0.00 C ATOM 148 O PRO A 14 -3.969 7.175 -5.249 1.00 0.00 O ATOM 149 CB PRO A 14 -5.712 8.159 -2.841 1.00 0.00 C ATOM 150 CG PRO A 14 -5.968 9.357 -3.689 1.00 0.00 C ATOM 151 CD PRO A 14 -4.731 10.207 -3.588 1.00 0.00 C ATOM 0 HA PRO A 14 -3.753 7.498 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.287 7.300 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.999 8.339 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.161 9.070 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.845 9.902 -3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.538 10.747 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.819 10.952 -2.797 1.00 0.00 H new ATOM 159 N PRO A 15 -3.637 5.637 -3.637 1.00 0.00 N ATOM 160 CA PRO A 15 -3.346 4.538 -4.562 1.00 0.00 C ATOM 161 C PRO A 15 -4.580 4.092 -5.339 1.00 0.00 C ATOM 162 O PRO A 15 -5.688 4.069 -4.803 1.00 0.00 O ATOM 163 CB PRO A 15 -2.861 3.417 -3.639 1.00 0.00 C ATOM 164 CG PRO A 15 -3.489 3.713 -2.321 1.00 0.00 C ATOM 165 CD PRO A 15 -3.570 5.212 -2.229 1.00 0.00 C ATOM 0 HA PRO A 15 -2.621 4.827 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.165 2.439 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.773 3.407 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.480 3.263 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.894 3.303 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.449 5.533 -1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.700 5.631 -1.724 1.00 0.00 H new ATOM 173 N ARG A 16 -4.380 3.739 -6.605 1.00 0.00 N ATOM 174 CA ARG A 16 -5.478 3.295 -7.456 1.00 0.00 C ATOM 175 C ARG A 16 -5.499 1.773 -7.565 1.00 0.00 C ATOM 176 O ARG A 16 -4.547 1.161 -8.053 1.00 0.00 O ATOM 177 CB ARG A 16 -5.354 3.915 -8.849 1.00 0.00 C ATOM 178 CG ARG A 16 -5.902 5.330 -8.936 1.00 0.00 C ATOM 179 CD ARG A 16 -7.413 5.354 -8.759 1.00 0.00 C ATOM 180 NE ARG A 16 -8.029 6.471 -9.471 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.285 6.860 -9.281 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.054 6.226 -8.407 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.774 7.885 -9.967 1.00 0.00 N ATOM 0 H ARG A 16 -3.469 3.752 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.413 3.623 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.304 3.922 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.881 3.285 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.435 5.950 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.641 5.764 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.835 4.416 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.653 5.424 -7.698 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.464 6.980 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.682 5.437 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.018 6.527 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.186 8.375 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.738 8.183 -9.821 1.00 0.00 H new ATOM 197 N LEU A 17 -6.589 1.167 -7.108 1.00 0.00 N ATOM 198 CA LEU A 17 -6.735 -0.284 -7.154 1.00 0.00 C ATOM 199 C LEU A 17 -6.311 -0.831 -8.513 1.00 0.00 C ATOM 200 O LEU A 17 -6.955 -0.566 -9.527 1.00 0.00 O ATOM 201 CB LEU A 17 -8.183 -0.680 -6.861 1.00 0.00 C ATOM 202 CG LEU A 17 -8.581 -2.104 -7.252 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.728 -3.120 -6.509 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.059 -2.339 -6.974 1.00 0.00 C ATOM 0 H LEU A 17 -7.385 1.658 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.086 -0.714 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.365 -0.553 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.841 0.016 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.408 -2.229 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.026 -4.127 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.678 -2.966 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.868 -2.996 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.325 -3.357 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.257 -2.195 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.655 -1.633 -7.553 1.00 0.00 H new ATOM 216 N GLN A 18 -5.224 -1.596 -8.524 1.00 0.00 N ATOM 217 CA GLN A 18 -4.716 -2.182 -9.759 1.00 0.00 C ATOM 218 C GLN A 18 -5.652 -3.273 -10.270 1.00 0.00 C ATOM 219 O GLN A 18 -6.272 -3.990 -9.486 1.00 0.00 O ATOM 220 CB GLN A 18 -3.316 -2.758 -9.536 1.00 0.00 C ATOM 221 CG GLN A 18 -2.461 -2.780 -10.793 1.00 0.00 C ATOM 222 CD GLN A 18 -1.268 -3.708 -10.670 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.415 -4.931 -10.682 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.078 -3.131 -10.553 1.00 0.00 N ATOM 0 H GLN A 18 -4.679 -1.824 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.662 -1.394 -10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.808 -2.171 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.407 -3.773 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.073 -3.092 -11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.111 -1.770 -11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.003 -2.114 -10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.761 -3.705 -10.468 1.00 0.00 H new ATOM 233 N GLY A 19 -5.749 -3.391 -11.590 1.00 0.00 N ATOM 234 CA GLY A 19 -6.612 -4.396 -12.183 1.00 0.00 C ATOM 235 C GLY A 19 -7.881 -4.615 -11.385 1.00 0.00 C ATOM 236 O GLY A 19 -8.683 -3.696 -11.217 1.00 0.00 O ATOM 0 H GLY A 19 -5.246 -2.809 -12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.872 -4.094 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.068 -5.337 -12.260 1.00 0.00 H new ATOM 240 N ARG A 20 -8.066 -5.835 -10.892 1.00 0.00 N ATOM 241 CA ARG A 20 -9.249 -6.172 -10.109 1.00 0.00 C ATOM 242 C ARG A 20 -8.857 -6.708 -8.735 1.00 0.00 C ATOM 243 O ARG A 20 -7.874 -7.435 -8.582 1.00 0.00 O ATOM 244 CB ARG A 20 -10.098 -7.207 -10.849 1.00 0.00 C ATOM 245 CG ARG A 20 -10.821 -6.646 -12.063 1.00 0.00 C ATOM 246 CD ARG A 20 -12.020 -5.803 -11.658 1.00 0.00 C ATOM 247 NE ARG A 20 -12.772 -5.328 -12.816 1.00 0.00 N ATOM 248 CZ ARG A 20 -12.339 -4.374 -13.632 1.00 0.00 C ATOM 249 NH1 ARG A 20 -11.166 -3.795 -13.418 1.00 0.00 N ATOM 250 NH2 ARG A 20 -13.081 -3.996 -14.666 1.00 0.00 N ATOM 0 H ARG A 20 -7.412 -6.607 -11.021 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.834 -5.263 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.458 -8.030 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.833 -7.622 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.131 -6.040 -12.651 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.150 -7.465 -12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.676 -6.391 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.681 -4.949 -11.071 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.679 -5.752 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.593 -4.082 -12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.837 -3.063 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.985 -4.438 -14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.748 -3.263 -15.292 1.00 0.00 H new ATOM 264 N PRO A 21 -9.642 -6.343 -7.711 1.00 0.00 N ATOM 265 CA PRO A 21 -9.397 -6.776 -6.332 1.00 0.00 C ATOM 266 C PRO A 21 -9.666 -8.264 -6.135 1.00 0.00 C ATOM 267 O PRO A 21 -10.192 -8.934 -7.025 1.00 0.00 O ATOM 268 CB PRO A 21 -10.387 -5.941 -5.517 1.00 0.00 C ATOM 269 CG PRO A 21 -11.482 -5.613 -6.472 1.00 0.00 C ATOM 270 CD PRO A 21 -10.829 -5.479 -7.820 1.00 0.00 C ATOM 0 HA PRO A 21 -8.357 -6.634 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.763 -6.499 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.917 -5.038 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.239 -6.397 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.984 -4.688 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.491 -5.805 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.556 -4.446 -8.033 1.00 0.00 H new ATOM 278 N LYS A 22 -9.302 -8.777 -4.965 1.00 0.00 N ATOM 279 CA LYS A 22 -9.506 -10.186 -4.649 1.00 0.00 C ATOM 280 C LYS A 22 -10.332 -10.345 -3.377 1.00 0.00 C ATOM 281 O LYS A 22 -10.732 -9.359 -2.758 1.00 0.00 O ATOM 282 CB LYS A 22 -8.159 -10.893 -4.487 1.00 0.00 C ATOM 283 CG LYS A 22 -7.217 -10.685 -5.660 1.00 0.00 C ATOM 284 CD LYS A 22 -7.431 -11.732 -6.740 1.00 0.00 C ATOM 285 CE LYS A 22 -6.219 -11.849 -7.651 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.568 -12.461 -8.963 1.00 0.00 N ATOM 0 H LYS A 22 -8.864 -8.237 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.052 -10.642 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.677 -10.535 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.332 -11.961 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.371 -9.691 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.185 -10.727 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.634 -12.698 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.309 -11.472 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.791 -10.860 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.454 -12.451 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.715 -12.523 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.953 -13.415 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.280 -11.873 -9.442 1.00 0.00 H new ATOM 300 N ALA A 23 -10.583 -11.592 -2.992 1.00 0.00 N ATOM 301 CA ALA A 23 -11.358 -11.879 -1.791 1.00 0.00 C ATOM 302 C ALA A 23 -10.616 -11.428 -0.537 1.00 0.00 C ATOM 303 O ALA A 23 -11.151 -10.677 0.278 1.00 0.00 O ATOM 304 CB ALA A 23 -11.678 -13.364 -1.712 1.00 0.00 C ATOM 0 H ALA A 23 -10.261 -12.419 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.292 -11.320 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.257 -13.564 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.257 -13.659 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.750 -13.935 -1.681 1.00 0.00 H new ATOM 310 N LYS A 24 -9.380 -11.893 -0.389 1.00 0.00 N ATOM 311 CA LYS A 24 -8.562 -11.538 0.766 1.00 0.00 C ATOM 312 C LYS A 24 -7.301 -10.798 0.332 1.00 0.00 C ATOM 313 O LYS A 24 -6.371 -10.626 1.119 1.00 0.00 O ATOM 314 CB LYS A 24 -8.184 -12.793 1.554 1.00 0.00 C ATOM 315 CG LYS A 24 -9.381 -13.618 1.995 1.00 0.00 C ATOM 316 CD LYS A 24 -9.053 -14.474 3.207 1.00 0.00 C ATOM 317 CE LYS A 24 -10.309 -14.862 3.971 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.944 -16.087 3.409 1.00 0.00 N ATOM 0 H LYS A 24 -8.922 -12.516 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.148 -10.878 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.531 -13.414 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.611 -12.501 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.214 -12.955 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.706 -14.257 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.528 -15.374 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.378 -13.929 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.059 -15.030 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.021 -14.037 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.797 -16.319 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.205 -15.918 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.273 -16.880 3.460 1.00 0.00 H new ATOM 332 N GLU A 25 -7.278 -10.361 -0.923 1.00 0.00 N ATOM 333 CA GLU A 25 -6.130 -9.639 -1.459 1.00 0.00 C ATOM 334 C GLU A 25 -6.581 -8.486 -2.352 1.00 0.00 C ATOM 335 O GLU A 25 -7.718 -8.462 -2.826 1.00 0.00 O ATOM 336 CB GLU A 25 -5.227 -10.587 -2.251 1.00 0.00 C ATOM 337 CG GLU A 25 -4.583 -11.667 -1.398 1.00 0.00 C ATOM 338 CD GLU A 25 -4.192 -12.891 -2.203 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.787 -12.726 -3.373 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.292 -14.013 -1.665 1.00 0.00 O ATOM 0 H GLU A 25 -8.041 -10.494 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.568 -9.229 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.813 -11.059 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.444 -10.007 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.697 -11.260 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.274 -11.962 -0.609 1.00 0.00 H new ATOM 347 N ILE A 26 -5.684 -7.532 -2.575 1.00 0.00 N ATOM 348 CA ILE A 26 -5.988 -6.377 -3.410 1.00 0.00 C ATOM 349 C ILE A 26 -4.714 -5.740 -3.954 1.00 0.00 C ATOM 350 O ILE A 26 -3.729 -5.587 -3.232 1.00 0.00 O ATOM 351 CB ILE A 26 -6.788 -5.315 -2.632 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.004 -5.954 -1.957 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.220 -4.191 -3.561 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.871 -4.963 -1.212 1.00 0.00 C ATOM 0 H ILE A 26 -4.740 -7.536 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.593 -6.740 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.147 -4.893 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.607 -6.456 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.662 -6.721 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.784 -3.449 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.339 -3.721 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.847 -4.596 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.714 -5.485 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.283 -4.479 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.242 -4.210 -1.907 1.00 0.00 H new ATOM 366 N GLN A 27 -4.742 -5.370 -5.230 1.00 0.00 N ATOM 367 CA GLN A 27 -3.589 -4.748 -5.870 1.00 0.00 C ATOM 368 C GLN A 27 -3.778 -3.239 -5.985 1.00 0.00 C ATOM 369 O GLN A 27 -4.893 -2.756 -6.187 1.00 0.00 O ATOM 370 CB GLN A 27 -3.362 -5.352 -7.257 1.00 0.00 C ATOM 371 CG GLN A 27 -3.044 -6.839 -7.229 1.00 0.00 C ATOM 372 CD GLN A 27 -3.354 -7.527 -8.544 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.671 -7.312 -9.546 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.387 -8.360 -8.547 1.00 0.00 N ATOM 0 H GLN A 27 -5.550 -5.490 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.714 -4.940 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.253 -5.191 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.543 -4.823 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.989 -6.977 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.615 -7.314 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.925 -8.508 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.643 -8.852 -9.403 1.00 0.00 H new ATOM 383 N LEU A 28 -2.682 -2.500 -5.853 1.00 0.00 N ATOM 384 CA LEU A 28 -2.727 -1.044 -5.941 1.00 0.00 C ATOM 385 C LEU A 28 -1.654 -0.523 -6.892 1.00 0.00 C ATOM 386 O LEU A 28 -0.675 -1.213 -7.177 1.00 0.00 O ATOM 387 CB LEU A 28 -2.541 -0.424 -4.555 1.00 0.00 C ATOM 388 CG LEU A 28 -3.525 -0.881 -3.477 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.909 -0.731 -2.095 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.824 -0.095 -3.573 1.00 0.00 C ATOM 0 H LEU A 28 -1.752 -2.884 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.703 -0.758 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.530 -0.645 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.615 0.659 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.749 -1.935 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.623 -1.061 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.007 -1.339 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.655 0.315 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.512 -0.434 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.618 0.967 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.274 -0.254 -4.553 1.00 0.00 H new ATOM 402 N ARG A 29 -1.844 0.699 -7.378 1.00 0.00 N ATOM 403 CA ARG A 29 -0.892 1.313 -8.295 1.00 0.00 C ATOM 404 C ARG A 29 -0.878 2.830 -8.130 1.00 0.00 C ATOM 405 O ARG A 29 -1.812 3.518 -8.542 1.00 0.00 O ATOM 406 CB ARG A 29 -1.238 0.950 -9.741 1.00 0.00 C ATOM 407 CG ARG A 29 -0.327 1.604 -10.767 1.00 0.00 C ATOM 408 CD ARG A 29 0.860 0.715 -11.104 1.00 0.00 C ATOM 409 NE ARG A 29 1.503 1.111 -12.354 1.00 0.00 N ATOM 410 CZ ARG A 29 1.000 0.848 -13.555 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.147 0.192 -13.667 1.00 0.00 N ATOM 412 NH2 ARG A 29 1.644 1.241 -14.646 1.00 0.00 N ATOM 0 H ARG A 29 -2.649 1.283 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 29 0.101 0.930 -8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.185 -0.132 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.268 1.242 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.893 1.817 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.030 2.559 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.587 0.758 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.528 -0.320 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 29 2.387 1.617 -12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.645 -0.112 -12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.532 -0.009 -14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.526 1.746 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.257 1.038 -15.568 1.00 0.00 H new ATOM 426 N TRP A 30 0.186 3.343 -7.524 1.00 0.00 N ATOM 427 CA TRP A 30 0.322 4.779 -7.303 1.00 0.00 C ATOM 428 C TRP A 30 1.572 5.319 -7.987 1.00 0.00 C ATOM 429 O TRP A 30 2.261 4.595 -8.704 1.00 0.00 O ATOM 430 CB TRP A 30 0.373 5.083 -5.805 1.00 0.00 C ATOM 431 CG TRP A 30 1.518 4.417 -5.103 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.727 4.975 -4.795 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.563 3.069 -4.623 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.519 4.054 -4.153 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.828 2.878 -4.035 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.656 2.006 -4.632 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.207 1.666 -3.463 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.034 0.804 -4.064 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.300 0.642 -3.486 1.00 0.00 C ATOM 0 H TRP A 30 0.967 2.787 -7.177 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.548 5.272 -7.737 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.446 6.161 -5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.562 4.763 -5.344 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.017 5.990 -5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.468 4.220 -3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.322 2.122 -5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.182 1.539 -3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.341 -0.025 -4.066 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.565 -0.310 -3.050 1.00 0.00 H new ATOM 450 N GLY A 31 1.860 6.598 -7.761 1.00 0.00 N ATOM 451 CA GLY A 31 3.028 7.213 -8.364 1.00 0.00 C ATOM 452 C GLY A 31 3.692 8.219 -7.445 1.00 0.00 C ATOM 453 O GLY A 31 3.221 8.489 -6.340 1.00 0.00 O ATOM 0 H GLY A 31 1.305 7.218 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.747 6.438 -8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.737 7.708 -9.290 1.00 0.00 H new ATOM 457 N PRO A 32 4.815 8.793 -7.902 1.00 0.00 N ATOM 458 CA PRO A 32 5.570 9.783 -7.128 1.00 0.00 C ATOM 459 C PRO A 32 4.827 11.109 -7.003 1.00 0.00 C ATOM 460 O PRO A 32 4.227 11.605 -7.957 1.00 0.00 O ATOM 461 CB PRO A 32 6.855 9.964 -7.941 1.00 0.00 C ATOM 462 CG PRO A 32 6.476 9.596 -9.334 1.00 0.00 C ATOM 463 CD PRO A 32 5.435 8.519 -9.210 1.00 0.00 C ATOM 0 HA PRO A 32 5.741 9.455 -6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.216 10.991 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.654 9.325 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.083 10.459 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.342 9.239 -9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.706 8.570 -10.019 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.880 7.524 -9.244 1.00 0.00 H new ATOM 471 N PRO A 33 4.867 11.699 -5.800 1.00 0.00 N ATOM 472 CA PRO A 33 4.204 12.977 -5.522 1.00 0.00 C ATOM 473 C PRO A 33 4.881 14.147 -6.227 1.00 0.00 C ATOM 474 O PRO A 33 5.978 14.007 -6.770 1.00 0.00 O ATOM 475 CB PRO A 33 4.332 13.120 -4.003 1.00 0.00 C ATOM 476 CG PRO A 33 5.533 12.314 -3.647 1.00 0.00 C ATOM 477 CD PRO A 33 5.564 11.165 -4.617 1.00 0.00 C ATOM 0 HA PRO A 33 3.174 12.988 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.455 14.163 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.442 12.750 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.441 12.913 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.472 11.956 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.585 10.866 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.059 10.286 -4.216 1.00 0.00 H new ATOM 485 N LEU A 34 4.223 15.301 -6.214 1.00 0.00 N ATOM 486 CA LEU A 34 4.762 16.497 -6.852 1.00 0.00 C ATOM 487 C LEU A 34 5.768 17.193 -5.942 1.00 0.00 C ATOM 488 O LEU A 34 6.770 17.737 -6.407 1.00 0.00 O ATOM 489 CB LEU A 34 3.630 17.461 -7.212 1.00 0.00 C ATOM 490 CG LEU A 34 3.006 17.277 -8.596 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.579 17.804 -8.612 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.846 17.974 -9.656 1.00 0.00 C ATOM 0 H LEU A 34 3.315 15.434 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 34 5.275 16.192 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.843 17.361 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.011 18.480 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 34 2.981 16.211 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.151 17.665 -9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.982 17.260 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.580 18.865 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.387 17.833 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.903 19.039 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.850 17.550 -9.661 1.00 0.00 H new ATOM 504 N VAL A 35 5.497 17.170 -4.641 1.00 0.00 N ATOM 505 CA VAL A 35 6.380 17.795 -3.664 1.00 0.00 C ATOM 506 C VAL A 35 7.224 16.753 -2.939 1.00 0.00 C ATOM 507 O VAL A 35 6.730 16.037 -2.068 1.00 0.00 O ATOM 508 CB VAL A 35 5.583 18.608 -2.626 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.489 19.603 -1.917 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.413 19.318 -3.290 1.00 0.00 C ATOM 0 H VAL A 35 4.672 16.725 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 35 7.036 18.468 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 35 5.185 17.921 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.909 20.168 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.289 19.067 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.919 20.288 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.861 19.887 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.787 19.995 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.752 18.581 -3.746 1.00 0.00 H new ATOM 520 N ASP A 36 8.499 16.674 -3.304 1.00 0.00 N ATOM 521 CA ASP A 36 9.413 15.720 -2.687 1.00 0.00 C ATOM 522 C ASP A 36 10.297 16.407 -1.650 1.00 0.00 C ATOM 523 O ASP A 36 11.333 15.876 -1.254 1.00 0.00 O ATOM 524 CB ASP A 36 10.282 15.051 -3.753 1.00 0.00 C ATOM 525 CG ASP A 36 11.293 16.005 -4.359 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.889 16.798 -3.600 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.488 15.958 -5.591 1.00 0.00 O ATOM 0 H ASP A 36 8.923 17.259 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 36 8.818 14.958 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.806 14.204 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.643 14.654 -4.542 1.00 0.00 H new ATOM 532 N GLY A 37 9.880 17.593 -1.216 1.00 0.00 N ATOM 533 CA GLY A 37 10.646 18.333 -0.231 1.00 0.00 C ATOM 534 C GLY A 37 12.004 18.759 -0.753 1.00 0.00 C ATOM 535 O GLY A 37 12.897 19.095 0.023 1.00 0.00 O ATOM 0 H GLY A 37 9.026 18.054 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.084 19.216 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.779 17.717 0.659 1.00 0.00 H new ATOM 539 N GLY A 38 12.160 18.744 -2.073 1.00 0.00 N ATOM 540 CA GLY A 38 13.422 19.132 -2.675 1.00 0.00 C ATOM 541 C GLY A 38 14.314 17.942 -2.971 1.00 0.00 C ATOM 542 O GLY A 38 15.124 17.980 -3.897 1.00 0.00 O ATOM 0 H GLY A 38 11.435 18.470 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.228 19.675 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.945 19.816 -2.007 1.00 0.00 H new ATOM 546 N SER A 39 14.165 16.883 -2.183 1.00 0.00 N ATOM 547 CA SER A 39 14.967 15.678 -2.361 1.00 0.00 C ATOM 548 C SER A 39 14.168 14.596 -3.081 1.00 0.00 C ATOM 549 O SER A 39 12.963 14.442 -2.883 1.00 0.00 O ATOM 550 CB SER A 39 15.450 15.156 -1.007 1.00 0.00 C ATOM 551 OG SER A 39 16.697 14.495 -1.130 1.00 0.00 O ATOM 0 H SER A 39 13.496 16.834 -1.415 1.00 0.00 H new ATOM 0 HA SER A 39 15.832 15.934 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.542 15.986 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.711 14.470 -0.594 1.00 0.00 H new ATOM 0 HG SER A 39 16.553 13.526 -1.148 1.00 0.00 H new ATOM 557 N PRO A 40 14.856 13.826 -3.938 1.00 0.00 N ATOM 558 CA PRO A 40 14.232 12.744 -4.706 1.00 0.00 C ATOM 559 C PRO A 40 13.824 11.568 -3.824 1.00 0.00 C ATOM 560 O PRO A 40 14.670 10.924 -3.203 1.00 0.00 O ATOM 561 CB PRO A 40 15.332 12.323 -5.684 1.00 0.00 C ATOM 562 CG PRO A 40 16.604 12.710 -5.012 1.00 0.00 C ATOM 563 CD PRO A 40 16.295 13.953 -4.224 1.00 0.00 C ATOM 0 HA PRO A 40 13.312 13.067 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.298 11.251 -5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.222 12.827 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.959 11.912 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.390 12.897 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.884 14.005 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.513 14.855 -4.795 1.00 0.00 H new ATOM 571 N ILE A 41 12.525 11.295 -3.774 1.00 0.00 N ATOM 572 CA ILE A 41 12.007 10.196 -2.969 1.00 0.00 C ATOM 573 C ILE A 41 12.968 9.012 -2.971 1.00 0.00 C ATOM 574 O ILE A 41 13.624 8.733 -3.974 1.00 0.00 O ATOM 575 CB ILE A 41 10.631 9.725 -3.478 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.652 10.900 -3.527 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.090 8.615 -2.591 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.443 11.569 -2.187 1.00 0.00 C ATOM 0 H ILE A 41 11.812 11.819 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 41 11.900 10.573 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 41 10.749 9.332 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.019 11.639 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.691 10.546 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.118 8.293 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.780 7.771 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.984 8.984 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.737 12.392 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.046 10.844 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.395 11.953 -1.820 1.00 0.00 H new ATOM 590 N SER A 42 13.046 8.318 -1.840 1.00 0.00 N ATOM 591 CA SER A 42 13.929 7.165 -1.709 1.00 0.00 C ATOM 592 C SER A 42 13.125 5.888 -1.485 1.00 0.00 C ATOM 593 O SER A 42 13.458 4.830 -2.020 1.00 0.00 O ATOM 594 CB SER A 42 14.909 7.375 -0.553 1.00 0.00 C ATOM 595 OG SER A 42 15.913 6.375 -0.548 1.00 0.00 O ATOM 0 H SER A 42 12.508 8.534 -1.001 1.00 0.00 H new ATOM 0 HA SER A 42 14.491 7.061 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.371 8.358 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.369 7.357 0.394 1.00 0.00 H new ATOM 0 HG SER A 42 16.528 6.532 0.199 1.00 0.00 H new ATOM 601 N CYS A 43 12.067 5.995 -0.690 1.00 0.00 N ATOM 602 CA CYS A 43 11.214 4.849 -0.392 1.00 0.00 C ATOM 603 C CYS A 43 9.810 5.302 -0.008 1.00 0.00 C ATOM 604 O CYS A 43 9.622 6.397 0.523 1.00 0.00 O ATOM 605 CB CYS A 43 11.822 4.015 0.737 1.00 0.00 C ATOM 606 SG CYS A 43 13.352 3.164 0.285 1.00 0.00 S ATOM 0 H CYS A 43 11.779 6.864 -0.240 1.00 0.00 H new ATOM 0 HA CYS A 43 11.144 4.235 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.019 4.665 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.090 3.276 1.063 1.00 0.00 H new ATOM 0 HG CYS A 43 13.796 3.638 -0.841 1.00 0.00 H new ATOM 612 N TYR A 44 8.825 4.453 -0.280 1.00 0.00 N ATOM 613 CA TYR A 44 7.436 4.767 0.033 1.00 0.00 C ATOM 614 C TYR A 44 6.891 3.821 1.099 1.00 0.00 C ATOM 615 O TYR A 44 7.513 2.810 1.425 1.00 0.00 O ATOM 616 CB TYR A 44 6.575 4.681 -1.228 1.00 0.00 C ATOM 617 CG TYR A 44 6.863 5.774 -2.233 1.00 0.00 C ATOM 618 CD1 TYR A 44 7.829 5.603 -3.217 1.00 0.00 C ATOM 619 CD2 TYR A 44 6.170 6.978 -2.198 1.00 0.00 C ATOM 620 CE1 TYR A 44 8.096 6.598 -4.137 1.00 0.00 C ATOM 621 CE2 TYR A 44 6.430 7.978 -3.115 1.00 0.00 C ATOM 622 CZ TYR A 44 7.394 7.784 -4.082 1.00 0.00 C ATOM 623 OH TYR A 44 7.656 8.779 -4.996 1.00 0.00 O ATOM 0 H TYR A 44 8.963 3.542 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 44 7.399 5.785 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.735 3.712 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.524 4.728 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.381 4.676 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.416 7.135 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 44 8.850 6.448 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.881 8.907 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 44 8.362 8.484 -5.608 1.00 0.00 H new ATOM 633 N SER A 45 5.724 4.158 1.639 1.00 0.00 N ATOM 634 CA SER A 45 5.095 3.343 2.671 1.00 0.00 C ATOM 635 C SER A 45 3.575 3.421 2.574 1.00 0.00 C ATOM 636 O SER A 45 3.002 4.508 2.489 1.00 0.00 O ATOM 637 CB SER A 45 5.553 3.795 4.059 1.00 0.00 C ATOM 638 OG SER A 45 4.939 3.023 5.076 1.00 0.00 O ATOM 0 H SER A 45 5.195 4.990 1.379 1.00 0.00 H new ATOM 0 HA SER A 45 5.399 2.308 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.637 3.705 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.309 4.848 4.201 1.00 0.00 H new ATOM 0 HG SER A 45 5.461 3.095 5.902 1.00 0.00 H new ATOM 644 N VAL A 46 2.926 2.261 2.588 1.00 0.00 N ATOM 645 CA VAL A 46 1.472 2.197 2.503 1.00 0.00 C ATOM 646 C VAL A 46 0.866 1.702 3.812 1.00 0.00 C ATOM 647 O VAL A 46 1.208 0.623 4.296 1.00 0.00 O ATOM 648 CB VAL A 46 1.017 1.274 1.358 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.501 1.181 1.317 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.566 1.766 0.027 1.00 0.00 C ATOM 0 H VAL A 46 3.385 1.353 2.657 1.00 0.00 H new ATOM 0 HA VAL A 46 1.122 3.210 2.304 1.00 0.00 H new ATOM 0 HB VAL A 46 1.413 0.275 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.803 0.524 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.866 0.778 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.922 2.174 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.235 1.102 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.202 2.775 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.655 1.774 0.063 1.00 0.00 H new ATOM 660 N GLU A 47 -0.036 2.497 4.379 1.00 0.00 N ATOM 661 CA GLU A 47 -0.689 2.139 5.632 1.00 0.00 C ATOM 662 C GLU A 47 -2.175 1.870 5.414 1.00 0.00 C ATOM 663 O GLU A 47 -2.983 2.797 5.365 1.00 0.00 O ATOM 664 CB GLU A 47 -0.507 3.253 6.665 1.00 0.00 C ATOM 665 CG GLU A 47 -1.352 3.069 7.914 1.00 0.00 C ATOM 666 CD GLU A 47 -1.292 4.268 8.841 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.267 4.430 9.536 1.00 0.00 O ATOM 668 OE2 GLU A 47 -2.269 5.044 8.870 1.00 0.00 O ATOM 0 H GLU A 47 -0.331 3.393 3.990 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.224 1.227 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.543 3.303 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.758 4.209 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.387 2.890 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.013 2.183 8.450 1.00 0.00 H new ATOM 675 N MET A 48 -2.527 0.595 5.282 1.00 0.00 N ATOM 676 CA MET A 48 -3.915 0.204 5.069 1.00 0.00 C ATOM 677 C MET A 48 -4.645 0.042 6.399 1.00 0.00 C ATOM 678 O MET A 48 -4.051 -0.367 7.397 1.00 0.00 O ATOM 679 CB MET A 48 -3.984 -1.101 4.274 1.00 0.00 C ATOM 680 CG MET A 48 -5.400 -1.612 4.066 1.00 0.00 C ATOM 681 SD MET A 48 -5.455 -3.374 3.689 1.00 0.00 S ATOM 682 CE MET A 48 -5.297 -4.076 5.329 1.00 0.00 C ATOM 0 H MET A 48 -1.870 -0.184 5.319 1.00 0.00 H new ATOM 0 HA MET A 48 -4.405 0.994 4.500 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.515 -0.950 3.302 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.404 -1.864 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.987 -1.418 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.867 -1.056 3.253 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.765 -5.025 5.269 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.742 -3.389 5.967 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.288 -4.242 5.751 1.00 0.00 H new ATOM 692 N SER A 49 -5.934 0.367 6.405 1.00 0.00 N ATOM 693 CA SER A 49 -6.742 0.261 7.614 1.00 0.00 C ATOM 694 C SER A 49 -8.193 -0.062 7.271 1.00 0.00 C ATOM 695 O SER A 49 -8.790 0.525 6.367 1.00 0.00 O ATOM 696 CB SER A 49 -6.674 1.563 8.415 1.00 0.00 C ATOM 697 OG SER A 49 -7.850 1.753 9.181 1.00 0.00 O ATOM 0 H SER A 49 -6.441 0.706 5.587 1.00 0.00 H new ATOM 0 HA SER A 49 -6.340 -0.551 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.806 1.543 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.539 2.405 7.736 1.00 0.00 H new ATOM 0 HG SER A 49 -7.781 2.591 9.685 1.00 0.00 H new ATOM 703 N PRO A 50 -8.776 -1.019 8.008 1.00 0.00 N ATOM 704 CA PRO A 50 -10.164 -1.443 7.801 1.00 0.00 C ATOM 705 C PRO A 50 -11.166 -0.372 8.221 1.00 0.00 C ATOM 706 O PRO A 50 -11.416 -0.176 9.411 1.00 0.00 O ATOM 707 CB PRO A 50 -10.295 -2.678 8.696 1.00 0.00 C ATOM 708 CG PRO A 50 -9.266 -2.488 9.756 1.00 0.00 C ATOM 709 CD PRO A 50 -8.125 -1.761 9.101 1.00 0.00 C ATOM 0 HA PRO A 50 -10.379 -1.637 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.295 -2.753 9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.119 -3.595 8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.667 -1.913 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.938 -3.447 10.158 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.622 -1.091 9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.371 -2.452 8.724 1.00 0.00 H new ATOM 717 N ILE A 51 -11.735 0.317 7.238 1.00 0.00 N ATOM 718 CA ILE A 51 -12.710 1.367 7.507 1.00 0.00 C ATOM 719 C ILE A 51 -13.579 1.014 8.709 1.00 0.00 C ATOM 720 O ILE A 51 -13.963 1.888 9.486 1.00 0.00 O ATOM 721 CB ILE A 51 -13.617 1.618 6.288 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.923 2.285 6.725 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.901 0.312 5.561 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.539 3.164 5.660 1.00 0.00 C ATOM 0 H ILE A 51 -11.538 0.167 6.248 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.146 2.274 7.723 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.100 2.289 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.639 1.513 7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.735 2.885 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.543 0.506 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.963 -0.127 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.401 -0.380 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.461 3.604 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.841 3.958 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.759 2.565 4.776 1.00 0.00 H new ATOM 736 N GLU A 52 -13.884 -0.271 8.856 1.00 0.00 N ATOM 737 CA GLU A 52 -14.707 -0.738 9.966 1.00 0.00 C ATOM 738 C GLU A 52 -14.077 -0.366 11.305 1.00 0.00 C ATOM 739 O GLU A 52 -14.751 0.141 12.202 1.00 0.00 O ATOM 740 CB GLU A 52 -14.899 -2.254 9.884 1.00 0.00 C ATOM 741 CG GLU A 52 -13.613 -3.017 9.614 1.00 0.00 C ATOM 742 CD GLU A 52 -13.819 -4.520 9.597 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.515 -5.034 10.498 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.285 -5.181 8.682 1.00 0.00 O ATOM 0 H GLU A 52 -13.574 -1.007 8.221 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.679 -0.251 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.332 -2.608 10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.617 -2.479 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.201 -2.700 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.877 -2.763 10.377 1.00 0.00 H new ATOM 751 N LYS A 53 -12.780 -0.623 11.434 1.00 0.00 N ATOM 752 CA LYS A 53 -12.057 -0.315 12.662 1.00 0.00 C ATOM 753 C LYS A 53 -10.735 0.382 12.355 1.00 0.00 C ATOM 754 O LYS A 53 -10.093 0.098 11.344 1.00 0.00 O ATOM 755 CB LYS A 53 -11.797 -1.595 13.459 1.00 0.00 C ATOM 756 CG LYS A 53 -10.795 -2.529 12.801 1.00 0.00 C ATOM 757 CD LYS A 53 -10.745 -3.876 13.502 1.00 0.00 C ATOM 758 CE LYS A 53 -9.904 -4.877 12.725 1.00 0.00 C ATOM 759 NZ LYS A 53 -10.691 -5.554 11.658 1.00 0.00 N ATOM 0 H LYS A 53 -12.208 -1.044 10.702 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.673 0.359 13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.434 -1.328 14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.739 -2.125 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.063 -2.672 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.805 -2.072 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.332 -3.751 14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.757 -4.264 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.052 -4.365 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.504 -5.624 13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.082 -6.228 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.490 -6.064 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.052 -4.844 10.989 1.00 0.00 H new ATOM 773 N ASP A 54 -10.335 1.295 13.234 1.00 0.00 N ATOM 774 CA ASP A 54 -9.089 2.031 13.058 1.00 0.00 C ATOM 775 C ASP A 54 -7.890 1.167 13.438 1.00 0.00 C ATOM 776 O ASP A 54 -7.423 1.203 14.576 1.00 0.00 O ATOM 777 CB ASP A 54 -9.102 3.307 13.902 1.00 0.00 C ATOM 778 CG ASP A 54 -8.021 4.286 13.487 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.165 4.909 12.415 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.030 4.427 14.235 1.00 0.00 O ATOM 0 H ASP A 54 -10.856 1.543 14.075 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.001 2.302 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.076 3.787 13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.969 3.046 14.952 1.00 0.00 H new ATOM 785 N GLU A 55 -7.397 0.392 12.477 1.00 0.00 N ATOM 786 CA GLU A 55 -6.254 -0.482 12.712 1.00 0.00 C ATOM 787 C GLU A 55 -5.228 -0.349 11.590 1.00 0.00 C ATOM 788 O GLU A 55 -4.981 -1.283 10.827 1.00 0.00 O ATOM 789 CB GLU A 55 -6.711 -1.937 12.830 1.00 0.00 C ATOM 790 CG GLU A 55 -5.753 -2.815 13.617 1.00 0.00 C ATOM 791 CD GLU A 55 -6.449 -3.982 14.289 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.238 -4.672 13.610 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.205 -4.205 15.493 1.00 0.00 O ATOM 0 H GLU A 55 -7.771 0.352 11.529 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.785 -0.180 13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.690 -1.964 13.308 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.833 -2.353 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.981 -3.194 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.251 -2.212 14.374 1.00 0.00 H new ATOM 800 N PRO A 56 -4.616 0.840 11.486 1.00 0.00 N ATOM 801 CA PRO A 56 -3.607 1.124 10.462 1.00 0.00 C ATOM 802 C PRO A 56 -2.306 0.365 10.702 1.00 0.00 C ATOM 803 O PRO A 56 -1.813 0.302 11.828 1.00 0.00 O ATOM 804 CB PRO A 56 -3.379 2.632 10.596 1.00 0.00 C ATOM 805 CG PRO A 56 -3.750 2.946 12.005 1.00 0.00 C ATOM 806 CD PRO A 56 -4.861 1.998 12.362 1.00 0.00 C ATOM 0 HA PRO A 56 -3.936 0.815 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.341 2.895 10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.995 3.190 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.897 2.816 12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.075 3.982 12.101 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.828 1.719 13.415 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.841 2.440 12.179 1.00 0.00 H new ATOM 814 N ARG A 57 -1.756 -0.208 9.637 1.00 0.00 N ATOM 815 CA ARG A 57 -0.512 -0.964 9.734 1.00 0.00 C ATOM 816 C ARG A 57 0.231 -0.959 8.401 1.00 0.00 C ATOM 817 O ARG A 57 -0.385 -0.975 7.336 1.00 0.00 O ATOM 818 CB ARG A 57 -0.797 -2.403 10.165 1.00 0.00 C ATOM 819 CG ARG A 57 -1.327 -3.282 9.044 1.00 0.00 C ATOM 820 CD ARG A 57 -2.793 -2.996 8.757 1.00 0.00 C ATOM 821 NE ARG A 57 -3.675 -3.622 9.737 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.962 -4.919 9.745 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.438 -5.723 8.829 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.774 -5.415 10.670 1.00 0.00 N ATOM 0 H ARG A 57 -2.151 -0.164 8.698 1.00 0.00 H new ATOM 0 HA ARG A 57 0.118 -0.486 10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.119 -2.844 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.521 -2.392 10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.739 -3.116 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.206 -4.331 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.959 -1.919 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.044 -3.358 7.760 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.094 -3.031 10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.813 -5.346 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.660 -6.719 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.179 -4.800 11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.993 -6.411 10.675 1.00 0.00 H new ATOM 838 N GLU A 58 1.559 -0.935 8.470 1.00 0.00 N ATOM 839 CA GLU A 58 2.385 -0.927 7.269 1.00 0.00 C ATOM 840 C GLU A 58 2.239 -2.236 6.499 1.00 0.00 C ATOM 841 O GLU A 58 2.850 -3.246 6.847 1.00 0.00 O ATOM 842 CB GLU A 58 3.854 -0.699 7.635 1.00 0.00 C ATOM 843 CG GLU A 58 4.818 -1.010 6.503 1.00 0.00 C ATOM 844 CD GLU A 58 6.261 -1.066 6.966 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.763 -0.038 7.467 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.889 -2.137 6.826 1.00 0.00 O ATOM 0 H GLU A 58 2.085 -0.921 9.344 1.00 0.00 H new ATOM 0 HA GLU A 58 2.046 -0.111 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.987 0.339 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.106 -1.318 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.547 -1.965 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.718 -0.251 5.727 1.00 0.00 H new ATOM 853 N VAL A 59 1.424 -2.210 5.449 1.00 0.00 N ATOM 854 CA VAL A 59 1.196 -3.393 4.628 1.00 0.00 C ATOM 855 C VAL A 59 2.183 -3.454 3.467 1.00 0.00 C ATOM 856 O VAL A 59 2.240 -4.445 2.739 1.00 0.00 O ATOM 857 CB VAL A 59 -0.239 -3.422 4.070 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.253 -3.378 5.203 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.457 -2.269 3.103 1.00 0.00 C ATOM 0 H VAL A 59 0.911 -1.382 5.147 1.00 0.00 H new ATOM 0 HA VAL A 59 1.344 -4.259 5.273 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.380 -4.355 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.261 -3.399 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.109 -4.241 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.116 -2.463 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.476 -2.305 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.298 -1.324 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.247 -2.351 2.275 1.00 0.00 H new ATOM 869 N TYR A 60 2.958 -2.389 3.300 1.00 0.00 N ATOM 870 CA TYR A 60 3.942 -2.320 2.226 1.00 0.00 C ATOM 871 C TYR A 60 4.969 -1.225 2.497 1.00 0.00 C ATOM 872 O TYR A 60 4.674 -0.236 3.168 1.00 0.00 O ATOM 873 CB TYR A 60 3.248 -2.064 0.887 1.00 0.00 C ATOM 874 CG TYR A 60 4.181 -2.134 -0.301 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.613 -3.358 -0.798 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.631 -0.978 -0.926 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.465 -3.428 -1.883 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.482 -1.038 -2.012 1.00 0.00 C ATOM 879 CZ TYR A 60 5.897 -2.265 -2.487 1.00 0.00 C ATOM 880 OH TYR A 60 6.746 -2.329 -3.567 1.00 0.00 O ATOM 0 H TYR A 60 2.924 -1.561 3.895 1.00 0.00 H new ATOM 0 HA TYR A 60 4.462 -3.277 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.450 -2.795 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.779 -1.081 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.277 -4.270 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.310 -0.015 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.791 -4.387 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.821 -0.129 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 60 6.580 -3.157 -4.065 1.00 0.00 H new ATOM 890 N GLN A 61 6.174 -1.410 1.970 1.00 0.00 N ATOM 891 CA GLN A 61 7.246 -0.438 2.155 1.00 0.00 C ATOM 892 C GLN A 61 8.453 -0.788 1.291 1.00 0.00 C ATOM 893 O GLN A 61 9.161 -1.758 1.560 1.00 0.00 O ATOM 894 CB GLN A 61 7.657 -0.375 3.627 1.00 0.00 C ATOM 895 CG GLN A 61 8.596 0.777 3.947 1.00 0.00 C ATOM 896 CD GLN A 61 8.864 0.916 5.432 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.099 1.776 6.095 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.750 0.258 5.979 1.00 0.00 N flip ATOM 0 H GLN A 61 6.433 -2.223 1.412 1.00 0.00 H new ATOM 0 HA GLN A 61 6.874 0.539 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.762 -0.285 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.139 -1.313 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.540 0.627 3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.167 1.706 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.315 -0.392 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.919 0.363 6.979 1.00 0.00 H new ATOM 907 N GLY A 62 8.683 0.009 0.252 1.00 0.00 N ATOM 908 CA GLY A 62 9.805 -0.234 -0.635 1.00 0.00 C ATOM 909 C GLY A 62 10.149 0.977 -1.480 1.00 0.00 C ATOM 910 O GLY A 62 10.083 2.112 -1.007 1.00 0.00 O ATOM 0 H GLY A 62 8.112 0.819 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.675 -0.520 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.572 -1.075 -1.288 1.00 0.00 H new ATOM 914 N SER A 63 10.518 0.736 -2.734 1.00 0.00 N ATOM 915 CA SER A 63 10.879 1.816 -3.646 1.00 0.00 C ATOM 916 C SER A 63 9.903 1.888 -4.816 1.00 0.00 C ATOM 917 O SER A 63 9.818 2.904 -5.505 1.00 0.00 O ATOM 918 CB SER A 63 12.304 1.617 -4.166 1.00 0.00 C ATOM 919 OG SER A 63 12.428 0.386 -4.856 1.00 0.00 O ATOM 0 H SER A 63 10.575 -0.197 -3.142 1.00 0.00 H new ATOM 0 HA SER A 63 10.829 2.756 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.570 2.439 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.006 1.642 -3.332 1.00 0.00 H new ATOM 0 HG SER A 63 13.347 0.284 -5.180 1.00 0.00 H new ATOM 925 N GLU A 64 9.170 0.801 -5.034 1.00 0.00 N ATOM 926 CA GLU A 64 8.200 0.740 -6.122 1.00 0.00 C ATOM 927 C GLU A 64 6.905 1.449 -5.737 1.00 0.00 C ATOM 928 O GLU A 64 6.689 1.781 -4.571 1.00 0.00 O ATOM 929 CB GLU A 64 7.907 -0.715 -6.492 1.00 0.00 C ATOM 930 CG GLU A 64 8.867 -1.287 -7.522 1.00 0.00 C ATOM 931 CD GLU A 64 8.252 -2.412 -8.331 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.379 -2.127 -9.177 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.645 -3.578 -8.118 1.00 0.00 O ATOM 0 H GLU A 64 9.229 -0.049 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 64 8.629 1.248 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.949 -1.326 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.890 -0.785 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.186 -0.492 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.760 -1.654 -7.016 1.00 0.00 H new ATOM 940 N VAL A 65 6.047 1.679 -6.725 1.00 0.00 N ATOM 941 CA VAL A 65 4.773 2.348 -6.491 1.00 0.00 C ATOM 942 C VAL A 65 3.602 1.405 -6.746 1.00 0.00 C ATOM 943 O VAL A 65 2.463 1.844 -6.904 1.00 0.00 O ATOM 944 CB VAL A 65 4.619 3.592 -7.386 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.769 4.561 -7.155 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.538 3.188 -8.850 1.00 0.00 C ATOM 0 H VAL A 65 6.211 1.412 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 65 4.766 2.658 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 65 3.690 4.097 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.644 5.434 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.776 4.875 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.712 4.069 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.429 4.079 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.448 2.659 -9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.678 2.535 -9.000 1.00 0.00 H new ATOM 956 N GLU A 66 3.891 0.108 -6.783 1.00 0.00 N ATOM 957 CA GLU A 66 2.861 -0.897 -7.019 1.00 0.00 C ATOM 958 C GLU A 66 3.095 -2.129 -6.150 1.00 0.00 C ATOM 959 O GLU A 66 4.162 -2.742 -6.198 1.00 0.00 O ATOM 960 CB GLU A 66 2.835 -1.297 -8.495 1.00 0.00 C ATOM 961 CG GLU A 66 4.146 -1.885 -8.989 1.00 0.00 C ATOM 962 CD GLU A 66 4.092 -2.286 -10.450 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.374 -3.255 -10.774 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.769 -1.630 -11.270 1.00 0.00 O ATOM 0 H GLU A 66 4.829 -0.271 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 66 1.898 -0.463 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.038 -2.024 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.590 -0.421 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.944 -1.156 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.399 -2.757 -8.386 1.00 0.00 H new ATOM 971 N CYS A 67 2.090 -2.487 -5.358 1.00 0.00 N ATOM 972 CA CYS A 67 2.186 -3.646 -4.477 1.00 0.00 C ATOM 973 C CYS A 67 0.866 -4.409 -4.438 1.00 0.00 C ATOM 974 O CYS A 67 -0.096 -4.045 -5.116 1.00 0.00 O ATOM 975 CB CYS A 67 2.578 -3.208 -3.065 1.00 0.00 C ATOM 976 SG CYS A 67 1.186 -2.669 -2.046 1.00 0.00 S ATOM 0 H CYS A 67 1.200 -1.992 -5.308 1.00 0.00 H new ATOM 0 HA CYS A 67 2.957 -4.309 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.081 -4.036 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.299 -2.394 -3.136 1.00 0.00 H new ATOM 0 HG CYS A 67 1.034 -1.383 -2.165 1.00 0.00 H new ATOM 982 N THR A 68 0.826 -5.472 -3.640 1.00 0.00 N ATOM 983 CA THR A 68 -0.374 -6.289 -3.514 1.00 0.00 C ATOM 984 C THR A 68 -0.654 -6.633 -2.056 1.00 0.00 C ATOM 985 O THR A 68 0.120 -7.345 -1.416 1.00 0.00 O ATOM 986 CB THR A 68 -0.253 -7.594 -4.324 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.182 -7.298 -5.723 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.437 -8.510 -4.053 1.00 0.00 C ATOM 0 H THR A 68 1.612 -5.787 -3.071 1.00 0.00 H new ATOM 0 HA THR A 68 -1.201 -5.700 -3.911 1.00 0.00 H new ATOM 0 HB THR A 68 0.659 -8.104 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.407 -8.100 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.330 -9.425 -4.636 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.470 -8.757 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.360 -8.005 -4.337 1.00 0.00 H new ATOM 996 N VAL A 69 -1.766 -6.123 -1.536 1.00 0.00 N ATOM 997 CA VAL A 69 -2.150 -6.378 -0.152 1.00 0.00 C ATOM 998 C VAL A 69 -2.880 -7.711 -0.021 1.00 0.00 C ATOM 999 O VAL A 69 -3.607 -8.123 -0.924 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.051 -5.256 0.396 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.153 -5.345 1.911 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.525 -3.894 -0.032 1.00 0.00 C ATOM 0 H VAL A 69 -2.417 -5.531 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.230 -6.412 0.431 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.051 -5.381 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.794 -4.544 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.579 -6.309 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.160 -5.246 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.174 -3.113 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.515 -3.757 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.509 -3.836 -1.120 1.00 0.00 H new ATOM 1012 N SER A 70 -2.680 -8.379 1.110 1.00 0.00 N ATOM 1013 CA SER A 70 -3.317 -9.667 1.359 1.00 0.00 C ATOM 1014 C SER A 70 -3.750 -9.787 2.817 1.00 0.00 C ATOM 1015 O SER A 70 -3.521 -8.882 3.620 1.00 0.00 O ATOM 1016 CB SER A 70 -2.363 -10.809 1.003 1.00 0.00 C ATOM 1017 OG SER A 70 -1.375 -10.978 2.005 1.00 0.00 O ATOM 0 H SER A 70 -2.082 -8.050 1.868 1.00 0.00 H new ATOM 0 HA SER A 70 -4.204 -9.733 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.927 -11.734 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.884 -10.602 0.046 1.00 0.00 H new ATOM 0 HG SER A 70 -0.779 -11.715 1.755 1.00 0.00 H new ATOM 1023 N SER A 71 -4.377 -10.910 3.151 1.00 0.00 N ATOM 1024 CA SER A 71 -4.847 -11.148 4.511 1.00 0.00 C ATOM 1025 C SER A 71 -6.047 -10.263 4.834 1.00 0.00 C ATOM 1026 O SER A 71 -6.221 -9.823 5.971 1.00 0.00 O ATOM 1027 CB SER A 71 -3.722 -10.885 5.515 1.00 0.00 C ATOM 1028 OG SER A 71 -3.981 -11.528 6.751 1.00 0.00 O ATOM 0 H SER A 71 -4.571 -11.670 2.499 1.00 0.00 H new ATOM 0 HA SER A 71 -5.155 -12.191 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.776 -11.241 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.616 -9.812 5.675 1.00 0.00 H new ATOM 0 HG SER A 71 -4.863 -11.258 7.081 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.874 -10.008 3.826 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.059 -9.176 4.000 1.00 0.00 C ATOM 1036 C LEU A 72 -9.328 -10.022 3.960 1.00 0.00 C ATOM 1037 O LEU A 72 -9.279 -11.221 3.686 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.116 -8.100 2.914 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.770 -7.543 2.451 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.974 -6.420 1.445 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.957 -7.054 3.641 1.00 0.00 C ATOM 0 H LEU A 72 -6.745 -10.366 2.879 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.995 -8.695 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.633 -8.513 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.722 -7.272 3.282 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.216 -8.345 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.005 -6.036 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.515 -6.801 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.548 -5.617 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.002 -6.661 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.506 -6.267 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.780 -7.883 4.326 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.464 -9.388 4.234 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.747 -10.082 4.228 1.00 0.00 C ATOM 1055 C LEU A 73 -12.577 -9.680 3.013 1.00 0.00 C ATOM 1056 O LEU A 73 -12.658 -8.507 2.646 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.520 -9.777 5.512 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.790 -10.074 6.822 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.525 -9.448 7.997 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.642 -11.575 7.021 1.00 0.00 C ATOM 0 H LEU A 73 -10.522 -8.396 4.463 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.553 -11.153 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.796 -8.723 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.448 -10.349 5.498 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.794 -9.635 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.991 -9.670 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.578 -8.368 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.534 -9.857 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.120 -11.768 7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.629 -12.037 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.071 -11.997 6.194 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.211 -10.674 2.373 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.049 -10.448 1.192 1.00 0.00 C ATOM 1074 C PRO A 74 -15.340 -9.710 1.529 1.00 0.00 C ATOM 1075 O PRO A 74 -15.856 -9.818 2.641 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.355 -11.864 0.698 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.233 -12.722 1.910 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.159 -12.095 2.755 1.00 0.00 C ATOM 0 HA PRO A 74 -13.550 -9.822 0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.355 -11.926 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.654 -12.173 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.178 -12.769 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.969 -13.744 1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.353 -12.233 3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.181 -12.531 2.550 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.858 -8.960 0.561 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.085 -8.216 0.776 1.00 0.00 C ATOM 1088 C GLY A 75 -16.940 -7.156 1.850 1.00 0.00 C ATOM 1089 O GLY A 75 -17.925 -6.742 2.462 1.00 0.00 O ATOM 0 H GLY A 75 -15.450 -8.855 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.388 -7.743 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.880 -8.906 1.056 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.708 -6.715 2.080 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.436 -5.696 3.088 1.00 0.00 C ATOM 1095 C LYS A 76 -14.553 -4.590 2.518 1.00 0.00 C ATOM 1096 O LYS A 76 -13.653 -4.850 1.718 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.761 -6.325 4.309 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.676 -7.235 5.109 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.590 -6.439 6.026 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.933 -6.169 7.371 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.939 -5.975 8.451 1.00 0.00 N ATOM 0 H LYS A 76 -14.882 -7.047 1.582 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.386 -5.257 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.893 -6.896 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.393 -5.531 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.277 -7.838 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.076 -7.926 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.850 -5.493 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.521 -6.986 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.279 -7.002 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.305 -5.282 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.462 -5.645 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.639 -5.268 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.419 -6.877 8.644 1.00 0.00 H new ATOM 1115 N THR A 77 -14.814 -3.356 2.937 1.00 0.00 N ATOM 1116 CA THR A 77 -14.043 -2.211 2.469 1.00 0.00 C ATOM 1117 C THR A 77 -12.833 -1.961 3.362 1.00 0.00 C ATOM 1118 O THR A 77 -12.816 -2.361 4.526 1.00 0.00 O ATOM 1119 CB THR A 77 -14.905 -0.935 2.421 1.00 0.00 C ATOM 1120 OG1 THR A 77 -15.980 -1.104 1.490 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.066 0.270 2.022 1.00 0.00 C ATOM 0 H THR A 77 -15.554 -3.124 3.600 1.00 0.00 H new ATOM 0 HA THR A 77 -13.704 -2.449 1.461 1.00 0.00 H new ATOM 0 HB THR A 77 -15.312 -0.761 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.524 -0.289 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.696 1.159 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.267 0.414 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.633 0.102 1.036 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.824 -1.297 2.810 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.609 -0.995 3.557 1.00 0.00 C ATOM 1131 C TYR A 78 -10.001 0.327 3.097 1.00 0.00 C ATOM 1132 O TYR A 78 -9.813 0.554 1.902 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.589 -2.123 3.391 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.956 -3.385 4.138 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.952 -4.231 3.666 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.305 -3.733 5.316 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.290 -5.385 4.345 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.637 -4.885 6.001 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.630 -5.708 5.512 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.963 -6.857 6.192 1.00 0.00 O ATOM 0 H TYR A 78 -11.823 -0.958 1.848 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.874 -0.906 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.486 -2.355 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.616 -1.776 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.471 -3.982 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.527 -3.092 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.067 -6.031 3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.122 -5.140 6.915 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.403 -6.937 6.992 1.00 0.00 H new ATOM 1150 N SER A 79 -9.695 1.195 4.056 1.00 0.00 N ATOM 1151 CA SER A 79 -9.111 2.496 3.751 1.00 0.00 C ATOM 1152 C SER A 79 -7.593 2.397 3.635 1.00 0.00 C ATOM 1153 O SER A 79 -6.902 2.103 4.611 1.00 0.00 O ATOM 1154 CB SER A 79 -9.486 3.513 4.831 1.00 0.00 C ATOM 1155 OG SER A 79 -8.569 3.472 5.910 1.00 0.00 O ATOM 0 H SER A 79 -9.842 1.021 5.050 1.00 0.00 H new ATOM 0 HA SER A 79 -9.510 2.830 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.503 4.515 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.492 3.306 5.196 1.00 0.00 H new ATOM 0 HG SER A 79 -7.957 2.716 5.791 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.080 2.644 2.434 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.644 2.582 2.189 1.00 0.00 C ATOM 1163 C PHE A 80 -5.031 3.980 2.188 1.00 0.00 C ATOM 1164 O PHE A 80 -5.718 4.969 1.933 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.363 1.889 0.854 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.715 0.429 0.852 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.001 0.013 0.544 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.761 -0.529 1.156 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.328 -1.330 0.542 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.082 -1.873 1.154 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.367 -2.274 0.846 1.00 0.00 C ATOM 0 H PHE A 80 -7.637 2.889 1.616 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.188 2.005 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.926 2.391 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.306 2.000 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.756 0.747 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.754 -0.221 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.334 -1.641 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.329 -2.609 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.620 -3.324 0.843 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.736 4.051 2.475 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.031 5.327 2.510 1.00 0.00 C ATOM 1183 C ARG A 81 -1.665 5.211 1.838 1.00 0.00 C ATOM 1184 O ARG A 81 -1.214 4.113 1.510 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.862 5.802 3.954 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.179 6.041 4.674 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.654 7.476 4.504 1.00 0.00 C ATOM 1188 NE ARG A 81 -4.159 8.346 5.567 1.00 0.00 N ATOM 1189 CZ ARG A 81 -4.539 9.610 5.719 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -5.414 10.148 4.881 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -4.043 10.338 6.712 1.00 0.00 N ATOM 0 H ARG A 81 -3.154 3.241 2.687 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.626 6.058 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.285 5.060 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.282 6.725 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.935 5.358 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.061 5.819 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.320 7.857 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.744 7.498 4.495 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.485 7.962 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.797 9.591 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.704 11.119 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.370 9.927 7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.335 11.308 6.828 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.013 6.350 1.636 1.00 0.00 N ATOM 1206 CA LEU A 82 0.302 6.378 1.003 1.00 0.00 C ATOM 1207 C LEU A 82 1.149 7.518 1.558 1.00 0.00 C ATOM 1208 O LEU A 82 0.638 8.598 1.852 1.00 0.00 O ATOM 1209 CB LEU A 82 0.157 6.524 -0.512 1.00 0.00 C ATOM 1210 CG LEU A 82 1.452 6.755 -1.291 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.398 5.578 -1.114 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.154 6.985 -2.766 1.00 0.00 C ATOM 0 H LEU A 82 -1.373 7.267 1.901 1.00 0.00 H new ATOM 0 HA LEU A 82 0.805 5.437 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.321 5.624 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.518 7.356 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 82 1.937 7.648 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.314 5.760 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.637 5.459 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.921 4.670 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.087 7.148 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.646 6.112 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.514 7.861 -2.876 1.00 0.00 H new ATOM 1224 N ARG A 83 2.448 7.271 1.695 1.00 0.00 N ATOM 1225 CA ARG A 83 3.367 8.277 2.212 1.00 0.00 C ATOM 1226 C ARG A 83 4.783 8.036 1.698 1.00 0.00 C ATOM 1227 O ARG A 83 5.271 6.906 1.700 1.00 0.00 O ATOM 1228 CB ARG A 83 3.360 8.267 3.742 1.00 0.00 C ATOM 1229 CG ARG A 83 4.209 7.160 4.347 1.00 0.00 C ATOM 1230 CD ARG A 83 4.314 7.303 5.857 1.00 0.00 C ATOM 1231 NE ARG A 83 4.625 6.032 6.506 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.953 5.922 7.789 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.013 7.002 8.556 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.222 4.730 8.307 1.00 0.00 N ATOM 0 H ARG A 83 2.887 6.382 1.455 1.00 0.00 H new ATOM 0 HA ARG A 83 3.032 9.253 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.720 9.230 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.333 8.159 4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.775 6.191 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.206 7.183 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.087 8.033 6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.375 7.691 6.251 1.00 0.00 H new ATOM 0 HE ARG A 83 4.588 5.182 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.807 7.920 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.265 6.915 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.177 3.897 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.474 4.647 9.292 1.00 0.00 H new ATOM 1248 N ALA A 84 5.437 9.106 1.257 1.00 0.00 N ATOM 1249 CA ALA A 84 6.797 9.011 0.741 1.00 0.00 C ATOM 1250 C ALA A 84 7.817 9.387 1.810 1.00 0.00 C ATOM 1251 O ALA A 84 7.490 10.070 2.780 1.00 0.00 O ATOM 1252 CB ALA A 84 6.960 9.900 -0.483 1.00 0.00 C ATOM 0 H ALA A 84 5.047 10.048 1.247 1.00 0.00 H new ATOM 0 HA ALA A 84 6.978 7.976 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.980 9.819 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.262 9.583 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.754 10.935 -0.211 1.00 0.00 H new ATOM 1258 N ALA A 85 9.054 8.937 1.627 1.00 0.00 N ATOM 1259 CA ALA A 85 10.122 9.228 2.575 1.00 0.00 C ATOM 1260 C ALA A 85 11.411 9.604 1.852 1.00 0.00 C ATOM 1261 O ALA A 85 11.764 9.001 0.839 1.00 0.00 O ATOM 1262 CB ALA A 85 10.356 8.034 3.488 1.00 0.00 C ATOM 0 H ALA A 85 9.341 8.369 0.830 1.00 0.00 H new ATOM 0 HA ALA A 85 9.814 10.080 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.156 8.265 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.442 7.812 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.638 7.168 2.889 1.00 0.00 H new ATOM 1268 N ASN A 86 12.109 10.605 2.379 1.00 0.00 N ATOM 1269 CA ASN A 86 13.358 11.062 1.782 1.00 0.00 C ATOM 1270 C ASN A 86 14.434 11.248 2.848 1.00 0.00 C ATOM 1271 O ASN A 86 14.208 10.979 4.027 1.00 0.00 O ATOM 1272 CB ASN A 86 13.138 12.375 1.029 1.00 0.00 C ATOM 1273 CG ASN A 86 12.443 13.420 1.881 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.312 13.261 3.094 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.994 14.497 1.247 1.00 0.00 N ATOM 0 H ASN A 86 11.831 11.115 3.218 1.00 0.00 H new ATOM 0 HA ASN A 86 13.695 10.301 1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.099 12.764 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.543 12.183 0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.519 15.234 1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.125 14.587 0.239 1.00 0.00 H new ATOM 1282 N LYS A 87 15.605 11.712 2.424 1.00 0.00 N ATOM 1283 CA LYS A 87 16.716 11.937 3.341 1.00 0.00 C ATOM 1284 C LYS A 87 16.264 12.736 4.558 1.00 0.00 C ATOM 1285 O LYS A 87 16.909 12.708 5.606 1.00 0.00 O ATOM 1286 CB LYS A 87 17.852 12.674 2.627 1.00 0.00 C ATOM 1287 CG LYS A 87 17.413 13.965 1.958 1.00 0.00 C ATOM 1288 CD LYS A 87 18.556 14.961 1.864 1.00 0.00 C ATOM 1289 CE LYS A 87 18.045 16.379 1.659 1.00 0.00 C ATOM 1290 NZ LYS A 87 19.038 17.396 2.102 1.00 0.00 N ATOM 0 H LYS A 87 15.809 11.940 1.451 1.00 0.00 H new ATOM 0 HA LYS A 87 17.077 10.966 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.639 12.897 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.286 12.014 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.035 13.748 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.590 14.406 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.154 14.917 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.212 14.687 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.813 16.533 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.116 16.514 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.551 18.293 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.516 17.062 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.742 17.544 1.351 1.00 0.00 H new ATOM 1304 N MET A 88 15.150 13.447 4.414 1.00 0.00 N ATOM 1305 CA MET A 88 14.610 14.252 5.504 1.00 0.00 C ATOM 1306 C MET A 88 13.786 13.393 6.457 1.00 0.00 C ATOM 1307 O MET A 88 13.940 13.477 7.675 1.00 0.00 O ATOM 1308 CB MET A 88 13.750 15.389 4.949 1.00 0.00 C ATOM 1309 CG MET A 88 14.537 16.408 4.142 1.00 0.00 C ATOM 1310 SD MET A 88 15.788 17.257 5.125 1.00 0.00 S ATOM 1311 CE MET A 88 17.189 16.163 4.906 1.00 0.00 C ATOM 0 H MET A 88 14.604 13.482 3.553 1.00 0.00 H new ATOM 0 HA MET A 88 15.447 14.677 6.058 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.966 14.967 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.256 15.897 5.777 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.019 15.907 3.302 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.850 17.143 3.723 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.454 15.715 5.864 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.929 15.377 4.197 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.038 16.730 4.524 1.00 0.00 H new ATOM 1321 N GLY A 89 12.909 12.566 5.894 1.00 0.00 N ATOM 1322 CA GLY A 89 12.073 11.705 6.709 1.00 0.00 C ATOM 1323 C GLY A 89 10.745 11.392 6.049 1.00 0.00 C ATOM 1324 O GLY A 89 10.502 11.788 4.909 1.00 0.00 O ATOM 0 H GLY A 89 12.763 12.478 4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.603 10.774 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.893 12.184 7.671 1.00 0.00 H new ATOM 1328 N PHE A 90 9.883 10.680 6.767 1.00 0.00 N ATOM 1329 CA PHE A 90 8.572 10.312 6.243 1.00 0.00 C ATOM 1330 C PHE A 90 7.600 11.485 6.337 1.00 0.00 C ATOM 1331 O PHE A 90 7.538 12.173 7.355 1.00 0.00 O ATOM 1332 CB PHE A 90 8.014 9.109 7.005 1.00 0.00 C ATOM 1333 CG PHE A 90 8.430 7.787 6.428 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.679 7.183 5.433 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.573 7.148 6.881 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.060 5.966 4.899 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.959 5.931 6.350 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.201 5.339 5.359 1.00 0.00 C ATOM 0 H PHE A 90 10.068 10.346 7.713 1.00 0.00 H new ATOM 0 HA PHE A 90 8.690 10.044 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.343 9.163 8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.926 9.167 7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.785 7.669 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.169 7.605 7.657 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.466 5.506 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.853 5.444 6.710 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.500 4.388 4.945 1.00 0.00 H new ATOM 1348 N GLY A 91 6.844 11.706 5.266 1.00 0.00 N ATOM 1349 CA GLY A 91 5.886 12.796 5.248 1.00 0.00 C ATOM 1350 C GLY A 91 4.482 12.339 5.592 1.00 0.00 C ATOM 1351 O GLY A 91 4.263 11.210 6.029 1.00 0.00 O ATOM 0 H GLY A 91 6.878 11.150 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.199 13.563 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.883 13.257 4.260 1.00 0.00 H new ATOM 1355 N PRO A 92 3.500 13.232 5.396 1.00 0.00 N ATOM 1356 CA PRO A 92 2.093 12.938 5.683 1.00 0.00 C ATOM 1357 C PRO A 92 1.501 11.926 4.708 1.00 0.00 C ATOM 1358 O PRO A 92 1.929 11.835 3.557 1.00 0.00 O ATOM 1359 CB PRO A 92 1.407 14.297 5.526 1.00 0.00 C ATOM 1360 CG PRO A 92 2.285 15.059 4.594 1.00 0.00 C ATOM 1361 CD PRO A 92 3.688 14.598 4.877 1.00 0.00 C ATOM 0 HA PRO A 92 1.963 12.491 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.401 14.188 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.312 14.806 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.013 14.866 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.187 16.133 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.303 14.605 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.183 15.240 5.606 1.00 0.00 H new ATOM 1369 N PHE A 93 0.515 11.168 5.175 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.136 10.162 4.343 1.00 0.00 C ATOM 1371 C PHE A 93 -1.089 10.814 3.347 1.00 0.00 C ATOM 1372 O PHE A 93 -1.525 11.949 3.539 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.898 9.163 5.217 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.075 7.974 5.625 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.298 7.021 4.692 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.324 7.811 6.941 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.055 5.926 5.064 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.082 6.718 7.319 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.447 5.774 6.379 1.00 0.00 C ATOM 0 H PHE A 93 0.149 11.231 6.125 1.00 0.00 H new ATOM 0 HA PHE A 93 0.636 9.632 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.254 9.673 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.779 8.817 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.006 7.135 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.040 8.545 7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.340 5.190 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.388 6.603 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.038 4.919 6.672 1.00 0.00 H new ATOM 1389 N SER A 94 -1.409 10.088 2.280 1.00 0.00 N ATOM 1390 CA SER A 94 -2.307 10.596 1.250 1.00 0.00 C ATOM 1391 C SER A 94 -3.765 10.428 1.670 1.00 0.00 C ATOM 1392 O SER A 94 -4.055 10.013 2.791 1.00 0.00 O ATOM 1393 CB SER A 94 -2.059 9.873 -0.075 1.00 0.00 C ATOM 1394 OG SER A 94 -2.435 8.509 0.011 1.00 0.00 O ATOM 0 H SER A 94 -1.059 9.146 2.107 1.00 0.00 H new ATOM 0 HA SER A 94 -2.105 11.659 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.624 10.360 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.005 9.947 -0.342 1.00 0.00 H new ATOM 0 HG SER A 94 -3.407 8.431 -0.089 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.677 10.755 0.760 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.104 10.642 1.035 1.00 0.00 C ATOM 1402 C GLU A 95 -6.521 9.179 1.154 1.00 0.00 C ATOM 1403 O GLU A 95 -6.071 8.328 0.386 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.915 11.326 -0.068 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.672 12.823 -0.162 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.799 13.554 -0.865 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.799 13.887 -0.196 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.680 13.794 -2.085 1.00 0.00 O ATOM 0 H GLU A 95 -4.453 11.100 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.305 11.138 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.671 10.866 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.976 11.149 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.549 13.231 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.739 13.003 -0.696 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.384 8.892 2.123 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.863 7.533 2.344 1.00 0.00 C ATOM 1417 C LYS A 96 -8.758 7.078 1.196 1.00 0.00 C ATOM 1418 O LYS A 96 -9.805 7.674 0.940 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.629 7.449 3.667 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.719 8.498 3.806 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.477 8.344 5.113 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.764 9.154 5.110 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.153 9.584 6.482 1.00 0.00 N ATOM 0 H LYS A 96 -7.766 9.583 2.768 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.997 6.872 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.076 6.459 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.925 7.557 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.276 9.493 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.413 8.416 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.709 7.292 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.845 8.666 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.639 10.032 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.567 8.559 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.035 10.133 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.297 8.746 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.399 10.174 6.888 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.342 6.019 0.511 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.107 5.484 -0.610 1.00 0.00 C ATOM 1439 C CYS A 97 -9.789 4.175 -0.226 1.00 0.00 C ATOM 1440 O CYS A 97 -9.151 3.123 -0.176 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.196 5.265 -1.818 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.019 4.497 -3.233 1.00 0.00 S ATOM 0 H CYS A 97 -7.479 5.514 0.712 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.877 6.210 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.784 6.225 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.355 4.640 -1.517 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.168 4.355 -4.205 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.088 4.247 0.044 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.856 3.068 0.423 1.00 0.00 C ATOM 1450 C ASP A 98 -11.957 2.087 -0.741 1.00 0.00 C ATOM 1451 O ASP A 98 -12.438 2.436 -1.819 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.256 3.473 0.888 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.264 3.474 -0.245 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.296 4.462 -1.009 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.019 2.488 -0.368 1.00 0.00 O ATOM 0 H ASP A 98 -11.631 5.110 0.007 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.337 2.576 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.590 2.787 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.214 4.467 1.334 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.499 0.860 -0.515 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.538 -0.171 -1.545 1.00 0.00 C ATOM 1462 C ILE A 99 -12.309 -1.396 -1.067 1.00 0.00 C ATOM 1463 O ILE A 99 -11.969 -2.001 -0.050 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.120 -0.601 -1.964 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.346 0.593 -2.526 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.188 -1.725 -2.987 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -7.987 0.225 -3.081 1.00 0.00 C ATOM 0 H ILE A 99 -11.097 0.556 0.372 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.047 0.262 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.593 -0.969 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.937 1.060 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.219 1.336 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.178 -2.018 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.705 -2.581 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.730 -1.382 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.495 1.120 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.378 -0.215 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.107 -0.495 -3.890 1.00 0.00 H new ATOM 1479 N THR A 100 -13.350 -1.760 -1.810 1.00 0.00 N ATOM 1480 CA THR A 100 -14.170 -2.914 -1.463 1.00 0.00 C ATOM 1481 C THR A 100 -13.674 -4.172 -2.167 1.00 0.00 C ATOM 1482 O THR A 100 -13.625 -4.230 -3.397 1.00 0.00 O ATOM 1483 CB THR A 100 -15.649 -2.683 -1.830 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.031 -1.342 -1.503 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.548 -3.665 -1.095 1.00 0.00 C ATOM 0 H THR A 100 -13.645 -1.272 -2.656 1.00 0.00 H new ATOM 0 HA THR A 100 -14.088 -3.048 -0.384 1.00 0.00 H new ATOM 0 HB THR A 100 -15.764 -2.842 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.027 -1.229 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.587 -3.483 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.274 -4.684 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.429 -3.533 -0.020 1.00 0.00 H new ATOM 1493 N THR A 101 -13.308 -5.179 -1.381 1.00 0.00 N ATOM 1494 CA THR A 101 -12.815 -6.436 -1.929 1.00 0.00 C ATOM 1495 C THR A 101 -13.923 -7.192 -2.654 1.00 0.00 C ATOM 1496 O THR A 101 -15.069 -6.745 -2.692 1.00 0.00 O ATOM 1497 CB THR A 101 -12.230 -7.339 -0.827 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.198 -7.534 0.211 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.967 -6.728 -0.240 1.00 0.00 C ATOM 0 H THR A 101 -13.344 -5.148 -0.362 1.00 0.00 H new ATOM 0 HA THR A 101 -12.027 -6.183 -2.638 1.00 0.00 H new ATOM 0 HB THR A 101 -11.976 -8.301 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.773 -7.975 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.572 -7.384 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.222 -6.607 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.200 -5.755 0.192 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.574 -8.338 -3.228 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.540 -9.157 -3.949 1.00 0.00 C ATOM 1509 C ALA A 102 -15.420 -9.945 -2.985 1.00 0.00 C ATOM 1510 O ALA A 102 -15.025 -10.262 -1.863 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.824 -10.101 -4.904 1.00 0.00 C ATOM 0 H ALA A 102 -12.629 -8.721 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.183 -8.492 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.558 -10.706 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.244 -9.521 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.157 -10.752 -4.340 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.644 -10.269 -3.430 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.605 -11.024 -2.621 1.00 0.00 C ATOM 1519 C PRO A 103 -17.185 -12.477 -2.426 1.00 0.00 C ATOM 1520 O PRO A 103 -17.898 -13.261 -1.802 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.896 -10.947 -3.441 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.441 -10.741 -4.845 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.182 -9.924 -4.756 1.00 0.00 C ATOM 0 HA PRO A 103 -17.697 -10.617 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.481 -11.861 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.530 -10.126 -3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.253 -11.695 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.202 -10.224 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.482 -10.177 -5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.389 -8.857 -4.841 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.020 -12.828 -2.963 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.525 -14.186 -2.836 1.00 0.00 C ATOM 1533 C GLY A 104 -15.798 -15.021 -4.072 1.00 0.00 C ATOM 1534 O GLY A 104 -15.465 -14.619 -5.187 1.00 0.00 O ATOM 0 H GLY A 104 -15.411 -12.196 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.452 -14.162 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.990 -14.660 -1.971 1.00 0.00 H new